----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.531345520506320 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): *1 O 0.21043165675880 0.07137736259255 0.17023451359734 15.999 2 O 0.78956834324120 0.57137736259255 0.32976548640266 15.999 3 O 0.78956834324120 0.92862263740745 0.82976548640266 15.999 4 O 0.21043165675880 0.42862263740745 0.67023451359734 15.999 *5 O 0.01791468544553 0.10282686783417 0.33904283013844 15.999 6 O 0.98208531455447 0.60282686783417 0.16095716986156 15.999 7 O 0.98208531455447 0.89717313216583 0.66095716986156 15.999 8 O 0.01791468544553 0.39717313216583 0.83904283013844 15.999 *9 O 0.50106471324675 0.09765183732822 0.08798950586067 15.999 10 O 0.49893528675325 0.59765183732822 0.41201049413933 15.999 11 O 0.49893528675325 0.90234816267178 0.91201049413933 15.999 12 O 0.50106471324675 0.40234816267178 0.58798950586067 15.999 *13 O 0.75165712150389 0.08680913809655 0.97382545114020 15.999 14 O 0.24834287849611 0.58680913809655 0.52617454885980 15.999 15 O 0.24834287849611 0.91319086190345 0.02617454885980 15.999 16 O 0.75165712150389 0.41319086190345 0.47382545114020 15.999 *17 O 0.29671468471975 0.09097982758379 0.72702721644327 15.999 *18 O 0.50760585336519 0.07495074788395 0.60668941561371 15.999 19 O 0.49239414663481 0.92504925211605 0.39331058438629 15.999 20 O 0.50760585336519 0.42504925211605 0.10668941561371 15.999 *21 O 0.72032684204065 0.08270566476068 0.41835129704661 15.999 22 O 0.27967315795935 0.58270566476068 0.08164870295339 15.999 23 O 0.27967315795935 0.91729433523932 0.58164870295339 15.999 24 O 0.72032684204065 0.41729433523932 0.91835129704661 15.999 *25 O 0.01279458251330 0.25232978359406 0.00600427393409 15.999 26 O 0.98720541748670 0.75232978359406 0.49399572606591 15.999 27 O 0.98720541748670 0.74767021640594 0.99399572606591 15.999 28 O 0.01279458251330 0.24767021640594 0.50600427393409 15.999 *29 O 0.26462500948135 0.25842707259781 0.87424656863824 15.999 30 O 0.73537499051865 0.75842707259781 0.62575343136176 15.999 31 O 0.73537499051865 0.74157292740219 0.12575343136176 15.999 32 O 0.26462500948135 0.24157292740219 0.37424656863824 15.999 *33 O 0.51958246065459 0.24151707976706 0.75706583490317 15.999 34 O 0.48041753934541 0.74151707976706 0.74293416509683 15.999 35 O 0.48041753934541 0.75848292023294 0.24293416509683 15.999 36 O 0.51958246065459 0.25848292023294 0.25706583490316 15.999 *37 O 0.76603678650111 0.25984283690078 0.62918782291427 15.999 38 O 0.23396321349888 0.75984283690078 0.87081217708573 15.999 39 O 0.23396321349888 0.74015716309922 0.37081217708573 15.999 40 O 0.76603678650111 0.24015716309922 0.12918782291427 15.999 41 O 0.29671468471975 0.40902017241621 0.22702721644327 15.999 42 O 0.70328531528025 0.90902017241621 0.27297278355673 15.999 43 O 0.70328531528025 0.59097982758379 0.77297278355673 15.999 44 O 0.49239414663481 0.57495074788395 0.89331058438629 15.999 *45 Ti 0.52359531291965 0.50872302469854 0.26865034888508 47.867 46 Ti 0.47640468708035 0.00872302469854 0.23134965111492 47.867 47 Ti 0.47640468708035 0.49127697530146 0.73134965111492 47.867 48 Ti 0.52359531291965 0.99127697530146 0.76865034888508 47.867 *49 Ti 0.29343454925267 0.16124143987983 0.55109432524880 47.867 50 Ti 0.70656545074733 0.66124143987983 0.94890567475120 47.867 51 Ti 0.70656545074733 0.83875856012017 0.44890567475120 47.867 52 Ti 0.29343454925267 0.33875856012016 0.05109432524880 47.867 *53 Ti 0.50961689720895 0.17480655913764 0.92990613920413 47.867 54 Ti 0.49038310279105 0.67480655913764 0.57009386079587 47.867 55 Ti 0.49038310279105 0.82519344086236 0.07009386079587 47.867 56 Ti 0.50961689720895 0.32519344086236 0.42990613920413 47.867 *57 Ti 0.02357396587447 0.16127442684588 0.15604153800811 47.867 58 Ti 0.97642603412553 0.66127442684588 0.34395846199189 47.867 59 Ti 0.97642603412553 0.83872557315412 0.84395846199189 47.867 60 Ti 0.02357396587447 0.33872557315412 0.65604153800811 47.867 *61 Ti 0.76047747790072 0.17486261683437 0.31033044510067 47.867 62 Ti 0.23952252209928 0.67486261683437 0.18966955489933 47.867 63 Ti 0.23952252209928 0.82513738316563 0.68966955489933 47.867 64 Ti 0.76047747790072 0.32513738316563 0.81033044510067 47.867 *65 Ba 0.96763913118757 0.41729900283020 0.26807199344106 137.327 66 Ba 0.03236086881243 0.91729900283020 0.23192800655894 137.327 67 Ba 0.03236086881243 0.58270099716980 0.73192800655894 137.327 68 Ba 0.96763913118757 0.08270099716980 0.76807199344106 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.531345520506320 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): *1 O 0.21043165675880 0.07137736259255 0.17023451359734 15.999 > 1 2 O 0.78956834324120 0.57137736259255 0.32976548640266 15.999 > 2 3 O 0.78956834324120 0.92862263740745 0.82976548640266 15.999 > 3 4 O 0.21043165675880 0.42862263740745 0.67023451359734 15.999 > 4 *5 O 0.01791468544553 0.10282686783417 0.33904283013844 15.999 > 5 6 O 0.98208531455447 0.60282686783417 0.16095716986156 15.999 > 6 7 O 0.98208531455447 0.89717313216583 0.66095716986156 15.999 > 7 8 O 0.01791468544553 0.39717313216583 0.83904283013844 15.999 > 8 *9 O 0.50106471324675 0.09765183732822 0.08798950586067 15.999 > 9 10 O 0.49893528675325 0.59765183732822 0.41201049413933 15.999 > 10 11 O 0.49893528675325 0.90234816267178 0.91201049413933 15.999 > 11 12 O 0.50106471324675 0.40234816267178 0.58798950586067 15.999 > 12 *13 O 0.75165712150389 0.08680913809655 0.97382545114020 15.999 > 13 14 O 0.24834287849611 0.58680913809655 0.52617454885980 15.999 > 14 15 O 0.24834287849611 0.91319086190345 0.02617454885980 15.999 > 15 16 O 0.75165712150389 0.41319086190345 0.47382545114020 15.999 > 16 *17 O 0.29671468471975 0.09097982758379 0.72702721644327 15.999 > 17 *18 O 0.50760585336519 0.07495074788395 0.60668941561371 15.999 > 18 19 O 0.49239414663481 0.92504925211605 0.39331058438629 15.999 > 19 20 O 0.50760585336519 0.42504925211605 0.10668941561371 15.999 > 20 *21 O 0.72032684204065 0.08270566476068 0.41835129704661 15.999 > 21 22 O 0.27967315795935 0.58270566476068 0.08164870295339 15.999 > 22 23 O 0.27967315795935 0.91729433523932 0.58164870295339 15.999 > 23 24 O 0.72032684204065 0.41729433523932 0.91835129704661 15.999 > 24 *25 O 0.01279458251330 0.25232978359406 0.00600427393409 15.999 > 25 26 O 0.98720541748670 0.75232978359406 0.49399572606591 15.999 > 26 27 O 0.98720541748670 0.74767021640594 0.99399572606591 15.999 > 27 28 O 0.01279458251330 0.24767021640594 0.50600427393409 15.999 > 28 *29 O 0.26462500948135 0.25842707259781 0.87424656863824 15.999 > 29 30 O 0.73537499051865 0.75842707259781 0.62575343136176 15.999 > 30 31 O 0.73537499051865 0.74157292740219 0.12575343136176 15.999 > 31 32 O 0.26462500948135 0.24157292740219 0.37424656863824 15.999 > 32 *33 O 0.51958246065459 0.24151707976706 0.75706583490317 15.999 > 33 34 O 0.48041753934541 0.74151707976706 0.74293416509683 15.999 > 34 35 O 0.48041753934541 0.75848292023294 0.24293416509683 15.999 > 35 36 O 0.51958246065459 0.25848292023294 0.25706583490316 15.999 > 36 *37 O 0.76603678650111 0.25984283690078 0.62918782291427 15.999 > 37 38 O 0.23396321349888 0.75984283690078 0.87081217708573 15.999 > 38 39 O 0.23396321349888 0.74015716309922 0.37081217708573 15.999 > 39 40 O 0.76603678650111 0.24015716309922 0.12918782291427 15.999 > 40 41 O 0.29671468471975 0.40902017241621 0.22702721644327 15.999 > 41 42 O 0.70328531528025 0.90902017241621 0.27297278355673 15.999 > 42 43 O 0.70328531528025 0.59097982758379 0.77297278355673 15.999 > 43 44 O 0.49239414663481 0.57495074788395 0.89331058438629 15.999 > 44 *45 Ti 0.52359531291965 0.50872302469854 0.26865034888508 47.867 > 45 46 Ti 0.47640468708035 0.00872302469854 0.23134965111492 47.867 > 46 47 Ti 0.47640468708035 0.49127697530146 0.73134965111492 47.867 > 47 48 Ti 0.52359531291965 0.99127697530146 0.76865034888508 47.867 > 48 *49 Ti 0.29343454925267 0.16124143987983 0.55109432524880 47.867 > 49 50 Ti 0.70656545074733 0.66124143987983 0.94890567475120 47.867 > 50 51 Ti 0.70656545074733 0.83875856012017 0.44890567475120 47.867 > 51 52 Ti 0.29343454925267 0.33875856012016 0.05109432524880 47.867 > 52 *53 Ti 0.50961689720895 0.17480655913764 0.92990613920413 47.867 > 53 54 Ti 0.49038310279105 0.67480655913764 0.57009386079587 47.867 > 54 55 Ti 0.49038310279105 0.82519344086236 0.07009386079587 47.867 > 55 56 Ti 0.50961689720895 0.32519344086236 0.42990613920413 47.867 > 56 *57 Ti 0.02357396587447 0.16127442684588 0.15604153800811 47.867 > 57 58 Ti 0.97642603412553 0.66127442684588 0.34395846199189 47.867 > 58 59 Ti 0.97642603412553 0.83872557315412 0.84395846199189 47.867 > 59 60 Ti 0.02357396587447 0.33872557315412 0.65604153800811 47.867 > 60 *61 Ti 0.76047747790072 0.17486261683437 0.31033044510067 47.867 > 61 62 Ti 0.23952252209928 0.67486261683437 0.18966955489933 47.867 > 62 63 Ti 0.23952252209928 0.82513738316563 0.68966955489933 47.867 > 63 64 Ti 0.76047747790072 0.32513738316563 0.81033044510067 47.867 > 64 *65 Ba 0.96763913118757 0.41729900283020 0.26807199344106 137.327 > 65 66 Ba 0.03236086881243 0.91729900283020 0.23192800655894 137.327 > 66 67 Ba 0.03236086881243 0.58270099716980 0.73192800655894 137.327 > 67 68 Ba 0.96763913118757 0.08270099716980 0.76807199344106 137.327 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.062691041012640 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): *1 O 0.10521582837940 0.07137736259255 0.17023451359734 15.999 > 1 2 O 0.60521582837940 0.07137736259255 0.17023451359734 15.999 > 1 3 O 0.39478417162060 0.57137736259255 0.32976548640266 15.999 > 2 4 O 0.89478417162060 0.57137736259255 0.32976548640266 15.999 > 2 5 O 0.39478417162060 0.92862263740745 0.82976548640266 15.999 > 3 6 O 0.89478417162060 0.92862263740745 0.82976548640266 15.999 > 3 7 O 0.10521582837940 0.42862263740745 0.67023451359734 15.999 > 4 8 O 0.60521582837940 0.42862263740745 0.67023451359734 15.999 > 4 *9 O 0.00895734272276 0.10282686783417 0.33904283013844 15.999 > 5 10 O 0.50895734272276 0.10282686783417 0.33904283013844 15.999 > 5 11 O 0.49104265727724 0.60282686783417 0.16095716986156 15.999 > 6 12 O 0.99104265727724 0.60282686783417 0.16095716986156 15.999 > 6 13 O 0.49104265727724 0.89717313216583 0.66095716986156 15.999 > 7 14 O 0.99104265727724 0.89717313216583 0.66095716986156 15.999 > 7 15 O 0.00895734272276 0.39717313216583 0.83904283013844 15.999 > 8 16 O 0.50895734272276 0.39717313216583 0.83904283013844 15.999 > 8 *17 O 0.25053235662337 0.09765183732822 0.08798950586067 15.999 > 9 18 O 0.75053235662337 0.09765183732822 0.08798950586067 15.999 > 9 19 O 0.24946764337663 0.59765183732822 0.41201049413933 15.999 > 10 20 O 0.74946764337663 0.59765183732822 0.41201049413933 15.999 > 10 21 O 0.24946764337663 0.90234816267178 0.91201049413933 15.999 > 11 22 O 0.74946764337663 0.90234816267178 0.91201049413933 15.999 > 11 23 O 0.25053235662337 0.40234816267178 0.58798950586067 15.999 > 12 24 O 0.75053235662337 0.40234816267178 0.58798950586067 15.999 > 12 *25 O 0.37582856075195 0.08680913809655 0.97382545114020 15.999 > 13 26 O 0.87582856075195 0.08680913809655 0.97382545114020 15.999 > 13 27 O 0.12417143924805 0.58680913809655 0.52617454885980 15.999 > 14 28 O 0.62417143924805 0.58680913809655 0.52617454885980 15.999 > 14 29 O 0.12417143924805 0.91319086190345 0.02617454885980 15.999 > 15 30 O 0.62417143924805 0.91319086190345 0.02617454885980 15.999 > 15 31 O 0.37582856075195 0.41319086190345 0.47382545114020 15.999 > 16 32 O 0.87582856075195 0.41319086190345 0.47382545114020 15.999 > 16 *33 O 0.14835734235988 0.09097982758379 0.72702721644327 15.999 > 17 34 O 0.64835734235988 0.09097982758379 0.72702721644327 15.999 > 17 *35 O 0.25380292668260 0.07495074788395 0.60668941561371 15.999 > 18 36 O 0.75380292668260 0.07495074788395 0.60668941561371 15.999 > 18 37 O 0.24619707331740 0.92504925211605 0.39331058438629 15.999 > 19 38 O 0.74619707331740 0.92504925211605 0.39331058438629 15.999 > 19 39 O 0.25380292668260 0.42504925211605 0.10668941561371 15.999 > 20 40 O 0.75380292668260 0.42504925211605 0.10668941561371 15.999 > 20 *41 O 0.36016342102033 0.08270566476068 0.41835129704661 15.999 > 21 42 O 0.86016342102033 0.08270566476068 0.41835129704661 15.999 > 21 43 O 0.13983657897967 0.58270566476068 0.08164870295339 15.999 > 22 44 O 0.63983657897967 0.58270566476068 0.08164870295339 15.999 > 22 45 O 0.13983657897967 0.91729433523932 0.58164870295339 15.999 > 23 46 O 0.63983657897967 0.91729433523932 0.58164870295339 15.999 > 23 47 O 0.36016342102033 0.41729433523932 0.91835129704661 15.999 > 24 48 O 0.86016342102033 0.41729433523932 0.91835129704661 15.999 > 24 *49 O 0.00639729125665 0.25232978359406 0.00600427393409 15.999 > 25 50 O 0.50639729125665 0.25232978359406 0.00600427393409 15.999 > 25 51 O 0.49360270874335 0.75232978359406 0.49399572606591 15.999 > 26 52 O 0.99360270874335 0.75232978359406 0.49399572606591 15.999 > 26 53 O 0.49360270874335 0.74767021640594 0.99399572606591 15.999 > 27 54 O 0.99360270874335 0.74767021640594 0.99399572606591 15.999 > 27 55 O 0.00639729125665 0.24767021640594 0.50600427393409 15.999 > 28 56 O 0.50639729125665 0.24767021640594 0.50600427393409 15.999 > 28 *57 O 0.13231250474068 0.25842707259781 0.87424656863824 15.999 > 29 58 O 0.63231250474068 0.25842707259781 0.87424656863824 15.999 > 29 59 O 0.36768749525932 0.75842707259781 0.62575343136176 15.999 > 30 60 O 0.86768749525932 0.75842707259781 0.62575343136176 15.999 > 30 61 O 0.36768749525932 0.74157292740219 0.12575343136176 15.999 > 31 62 O 0.86768749525932 0.74157292740219 0.12575343136176 15.999 > 31 63 O 0.13231250474068 0.24157292740219 0.37424656863824 15.999 > 32 64 O 0.63231250474068 0.24157292740219 0.37424656863824 15.999 > 32 *65 O 0.25979123032729 0.24151707976706 0.75706583490317 15.999 > 33 66 O 0.75979123032729 0.24151707976706 0.75706583490317 15.999 > 33 67 O 0.24020876967271 0.74151707976706 0.74293416509683 15.999 > 34 68 O 0.74020876967271 0.74151707976706 0.74293416509683 15.999 > 34 69 O 0.24020876967271 0.75848292023294 0.24293416509683 15.999 > 35 70 O 0.74020876967271 0.75848292023294 0.24293416509683 15.999 > 35 71 O 0.25979123032729 0.25848292023294 0.25706583490316 15.999 > 36 72 O 0.75979123032729 0.25848292023294 0.25706583490316 15.999 > 36 *73 O 0.38301839325056 0.25984283690078 0.62918782291427 15.999 > 37 74 O 0.88301839325056 0.25984283690078 0.62918782291427 15.999 > 37 75 O 0.11698160674944 0.75984283690078 0.87081217708573 15.999 > 38 76 O 0.61698160674944 0.75984283690078 0.87081217708573 15.999 > 38 77 O 0.11698160674944 0.74015716309922 0.37081217708573 15.999 > 39 78 O 0.61698160674944 0.74015716309922 0.37081217708573 15.999 > 39 79 O 0.38301839325056 0.24015716309922 0.12918782291427 15.999 > 40 80 O 0.88301839325056 0.24015716309922 0.12918782291427 15.999 > 40 81 O 0.14835734235988 0.40902017241621 0.22702721644327 15.999 > 41 82 O 0.64835734235988 0.40902017241621 0.22702721644327 15.999 > 41 83 O 0.35164265764012 0.90902017241621 0.27297278355673 15.999 > 42 84 O 0.85164265764012 0.90902017241621 0.27297278355673 15.999 > 42 85 O 0.35164265764012 0.59097982758379 0.77297278355673 15.999 > 43 86 O 0.85164265764012 0.59097982758379 0.77297278355673 15.999 > 43 87 O 0.24619707331740 0.57495074788395 0.89331058438629 15.999 > 44 88 O 0.74619707331740 0.57495074788395 0.89331058438629 15.999 > 44 *89 Ti 0.26179765645982 0.50872302469854 0.26865034888508 47.867 > 45 90 Ti 0.76179765645982 0.50872302469854 0.26865034888508 47.867 > 45 91 Ti 0.23820234354018 0.00872302469854 0.23134965111492 47.867 > 46 92 Ti 0.73820234354018 0.00872302469854 0.23134965111492 47.867 > 46 93 Ti 0.23820234354018 0.49127697530146 0.73134965111492 47.867 > 47 94 Ti 0.73820234354018 0.49127697530146 0.73134965111492 47.867 > 47 95 Ti 0.26179765645982 0.99127697530146 0.76865034888508 47.867 > 48 96 Ti 0.76179765645982 0.99127697530146 0.76865034888508 47.867 > 48 *97 Ti 0.14671727462633 0.16124143987983 0.55109432524880 47.867 > 49 98 Ti 0.64671727462633 0.16124143987983 0.55109432524880 47.867 > 49 99 Ti 0.35328272537367 0.66124143987983 0.94890567475120 47.867 > 50 100 Ti 0.85328272537367 0.66124143987983 0.94890567475120 47.867 > 50 101 Ti 0.35328272537367 0.83875856012017 0.44890567475120 47.867 > 51 102 Ti 0.85328272537367 0.83875856012017 0.44890567475120 47.867 > 51 103 Ti 0.14671727462633 0.33875856012016 0.05109432524880 47.867 > 52 104 Ti 0.64671727462633 0.33875856012016 0.05109432524880 47.867 > 52 *105 Ti 0.25480844860447 0.17480655913764 0.92990613920413 47.867 > 53 106 Ti 0.75480844860447 0.17480655913764 0.92990613920413 47.867 > 53 107 Ti 0.24519155139553 0.67480655913764 0.57009386079587 47.867 > 54 108 Ti 0.74519155139553 0.67480655913764 0.57009386079587 47.867 > 54 109 Ti 0.24519155139553 0.82519344086236 0.07009386079587 47.867 > 55 110 Ti 0.74519155139553 0.82519344086236 0.07009386079587 47.867 > 55 111 Ti 0.25480844860447 0.32519344086236 0.42990613920413 47.867 > 56 112 Ti 0.75480844860447 0.32519344086236 0.42990613920413 47.867 > 56 *113 Ti 0.01178698293723 0.16127442684588 0.15604153800811 47.867 > 57 114 Ti 0.51178698293724 0.16127442684588 0.15604153800811 47.867 > 57 115 Ti 0.48821301706276 0.66127442684588 0.34395846199189 47.867 > 58 116 Ti 0.98821301706276 0.66127442684588 0.34395846199189 47.867 > 58 117 Ti 0.48821301706276 0.83872557315412 0.84395846199189 47.867 > 59 118 Ti 0.98821301706276 0.83872557315412 0.84395846199189 47.867 > 59 119 Ti 0.01178698293723 0.33872557315412 0.65604153800811 47.867 > 60 120 Ti 0.51178698293724 0.33872557315412 0.65604153800811 47.867 > 60 *121 Ti 0.38023873895036 0.17486261683437 0.31033044510067 47.867 > 61 122 Ti 0.88023873895036 0.17486261683437 0.31033044510067 47.867 > 61 123 Ti 0.11976126104964 0.67486261683437 0.18966955489933 47.867 > 62 124 Ti 0.61976126104964 0.67486261683437 0.18966955489933 47.867 > 62 125 Ti 0.11976126104964 0.82513738316563 0.68966955489933 47.867 > 63 126 Ti 0.61976126104964 0.82513738316563 0.68966955489933 47.867 > 63 127 Ti 0.38023873895036 0.32513738316563 0.81033044510067 47.867 > 64 128 Ti 0.88023873895036 0.32513738316563 0.81033044510067 47.867 > 64 *129 Ba 0.48381956559378 0.41729900283020 0.26807199344106 137.327 > 65 130 Ba 0.98381956559378 0.41729900283020 0.26807199344106 137.327 > 65 131 Ba 0.01618043440622 0.91729900283020 0.23192800655894 137.327 > 66 132 Ba 0.51618043440622 0.91729900283020 0.23192800655894 137.327 > 66 133 Ba 0.01618043440622 0.58270099716980 0.73192800655894 137.327 > 67 134 Ba 0.51618043440622 0.58270099716980 0.73192800655894 137.327 > 67 135 Ba 0.48381956559378 0.08270099716980 0.76807199344106 137.327 > 68 136 Ba 0.98381956559378 0.08270099716980 0.76807199344106 137.327 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9941246 0.0000000 0.1754456 0.0000000 6.0655150 0.0000000 0.1754400 0.0000000 6.1373659 -------------------------- Born effective charges -------------------------- 1 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 2 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 3 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 4 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 5 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 6 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 7 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 8 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 9 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 10 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 11 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 12 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 13 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 14 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 15 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 16 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 17 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 18 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 19 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 20 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 21 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 22 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 23 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 24 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 25 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 26 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 27 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 28 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 29 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 30 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 31 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 32 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 33 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 34 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 35 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 36 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 37 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 38 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 39 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 40 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 41 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 42 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 43 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 44 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 45 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 46 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 47 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 48 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 49 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 50 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 51 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 52 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 53 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 54 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 55 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 56 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 57 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 58 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 59 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 60 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 61 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 62 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 63 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 64 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 65 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 66 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 67 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 68 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 5.539 Solver_block: 200 / 2080 - Time: 5.609 Solver_block: 300 / 2080 - Time: 6.639 Solver_block: 400 / 2080 - Time: 7.498 Solver_block: 500 / 2080 - Time: 6.913 Solver_block: 600 / 2080 - Time: 7.260 Solver_block: 700 / 2080 - Time: 3.360 Solver_block: 800 / 2080 - Time: 3.251 Solver_block: 900 / 2080 - Time: 3.321 Solver_block: 1000 / 2080 - Time: 3.451 Solver_block: 1100 / 2080 - Time: 3.318 Solver_block: 1200 / 2080 - Time: 3.608 Solver_block: 1300 / 2080 - Time: 3.449 Solver_block: 1400 / 2080 - Time: 5.176 Solver_block: 1500 / 2080 - Time: 5.477 Solver_block: 1600 / 2080 - Time: 5.306 Solver_block: 1700 / 2080 - Time: 5.470 Solver_block: 1800 / 2080 - Time: 5.444 Solver_block: 1900 / 2080 - Time: 5.402 Solver_block: 2000 / 2080 - Time: 5.011 Solver_block: 2080 / 2080 - Time: 4.794 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 109.197 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 143 (1) Compute compressed projector. (1) Use standard solver. (1) 109 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 109), data: (2312, 143) @ (143, 109) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:36:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:36:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.531345520506320 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): 1 O 0.21043165675880 0.07137736259255 0.17023451359734 15.999 2 O 0.78956834324120 0.57137736259255 0.32976548640266 15.999 3 O 0.78956834324120 0.92862263740745 0.82976548640266 15.999 4 O 0.21043165675880 0.42862263740745 0.67023451359734 15.999 5 O 0.01791468544553 0.10282686783417 0.33904283013844 15.999 6 O 0.98208531455447 0.60282686783417 0.16095716986156 15.999 7 O 0.98208531455447 0.89717313216583 0.66095716986156 15.999 8 O 0.01791468544553 0.39717313216583 0.83904283013844 15.999 9 O 0.50106471324675 0.09765183732822 0.08798950586067 15.999 10 O 0.49893528675325 0.59765183732822 0.41201049413933 15.999 11 O 0.49893528675325 0.90234816267178 0.91201049413933 15.999 12 O 0.50106471324675 0.40234816267178 0.58798950586067 15.999 13 O 0.75165712150389 0.08680913809655 0.97382545114020 15.999 14 O 0.24834287849611 0.58680913809655 0.52617454885980 15.999 15 O 0.24834287849611 0.91319086190345 0.02617454885980 15.999 16 O 0.75165712150389 0.41319086190345 0.47382545114020 15.999 17 O 0.29671468471975 0.09097982758379 0.72702721644327 15.999 18 O 0.50760585336519 0.07495074788395 0.60668941561371 15.999 19 O 0.49239414663481 0.92504925211605 0.39331058438629 15.999 20 O 0.50760585336519 0.42504925211605 0.10668941561371 15.999 21 O 0.72032684204065 0.08270566476068 0.41835129704661 15.999 22 O 0.27967315795935 0.58270566476068 0.08164870295339 15.999 23 O 0.27967315795935 0.91729433523932 0.58164870295339 15.999 24 O 0.72032684204065 0.41729433523932 0.91835129704661 15.999 25 O 0.01279458251330 0.25232978359406 0.00600427393409 15.999 26 O 0.98720541748670 0.75232978359406 0.49399572606591 15.999 27 O 0.98720541748670 0.74767021640594 0.99399572606591 15.999 28 O 0.01279458251330 0.24767021640594 0.50600427393409 15.999 29 O 0.26462500948135 0.25842707259781 0.87424656863824 15.999 30 O 0.73537499051865 0.75842707259781 0.62575343136176 15.999 31 O 0.73537499051865 0.74157292740219 0.12575343136176 15.999 32 O 0.26462500948135 0.24157292740219 0.37424656863824 15.999 33 O 0.51958246065459 0.24151707976706 0.75706583490317 15.999 34 O 0.48041753934541 0.74151707976706 0.74293416509683 15.999 35 O 0.48041753934541 0.75848292023294 0.24293416509683 15.999 36 O 0.51958246065459 0.25848292023294 0.25706583490316 15.999 37 O 0.76603678650111 0.25984283690078 0.62918782291427 15.999 38 O 0.23396321349888 0.75984283690078 0.87081217708573 15.999 39 O 0.23396321349888 0.74015716309922 0.37081217708573 15.999 40 O 0.76603678650111 0.24015716309922 0.12918782291427 15.999 41 O 0.29671468471975 0.40902017241621 0.22702721644327 15.999 42 O 0.70328531528025 0.90902017241621 0.27297278355673 15.999 43 O 0.70328531528025 0.59097982758379 0.77297278355673 15.999 44 O 0.49239414663481 0.57495074788395 0.89331058438629 15.999 45 Ti 0.52359531291965 0.50872302469854 0.26865034888508 47.867 46 Ti 0.47640468708035 0.00872302469854 0.23134965111492 47.867 47 Ti 0.47640468708035 0.49127697530146 0.73134965111492 47.867 48 Ti 0.52359531291965 0.99127697530146 0.76865034888508 47.867 49 Ti 0.29343454925267 0.16124143987983 0.55109432524880 47.867 50 Ti 0.70656545074733 0.66124143987983 0.94890567475120 47.867 51 Ti 0.70656545074733 0.83875856012017 0.44890567475120 47.867 52 Ti 0.29343454925267 0.33875856012016 0.05109432524880 47.867 53 Ti 0.50961689720895 0.17480655913764 0.92990613920413 47.867 54 Ti 0.49038310279105 0.67480655913764 0.57009386079587 47.867 55 Ti 0.49038310279105 0.82519344086236 0.07009386079587 47.867 56 Ti 0.50961689720895 0.32519344086236 0.42990613920413 47.867 57 Ti 0.02357396587447 0.16127442684588 0.15604153800811 47.867 58 Ti 0.97642603412553 0.66127442684588 0.34395846199189 47.867 59 Ti 0.97642603412553 0.83872557315412 0.84395846199189 47.867 60 Ti 0.02357396587447 0.33872557315412 0.65604153800811 47.867 61 Ti 0.76047747790072 0.17486261683437 0.31033044510067 47.867 62 Ti 0.23952252209928 0.67486261683437 0.18966955489933 47.867 63 Ti 0.23952252209928 0.82513738316563 0.68966955489933 47.867 64 Ti 0.76047747790072 0.32513738316563 0.81033044510067 47.867 65 Ba 0.96763913118757 0.41729900283020 0.26807199344106 137.327 66 Ba 0.03236086881243 0.91729900283020 0.23192800655894 137.327 67 Ba 0.03236086881243 0.58270099716980 0.73192800655894 137.327 68 Ba 0.96763913118757 0.08270099716980 0.76807199344106 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.062691041012640 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): 1 O 0.10521582837940 0.07137736259255 0.17023451359734 15.999 > 1 2 O 0.60521582837940 0.07137736259255 0.17023451359734 15.999 > 1 3 O 0.39478417162060 0.57137736259255 0.32976548640266 15.999 > 3 4 O 0.89478417162060 0.57137736259255 0.32976548640266 15.999 > 3 5 O 0.39478417162060 0.92862263740745 0.82976548640266 15.999 > 5 6 O 0.89478417162060 0.92862263740745 0.82976548640266 15.999 > 5 7 O 0.10521582837940 0.42862263740745 0.67023451359734 15.999 > 7 8 O 0.60521582837940 0.42862263740745 0.67023451359734 15.999 > 7 9 O 0.00895734272276 0.10282686783417 0.33904283013844 15.999 > 9 10 O 0.50895734272276 0.10282686783417 0.33904283013844 15.999 > 9 11 O 0.49104265727724 0.60282686783417 0.16095716986156 15.999 > 11 12 O 0.99104265727724 0.60282686783417 0.16095716986156 15.999 > 11 13 O 0.49104265727724 0.89717313216583 0.66095716986156 15.999 > 13 14 O 0.99104265727724 0.89717313216583 0.66095716986156 15.999 > 13 15 O 0.00895734272276 0.39717313216583 0.83904283013844 15.999 > 15 16 O 0.50895734272276 0.39717313216583 0.83904283013844 15.999 > 15 17 O 0.25053235662337 0.09765183732822 0.08798950586067 15.999 > 17 18 O 0.75053235662337 0.09765183732822 0.08798950586067 15.999 > 17 19 O 0.24946764337663 0.59765183732822 0.41201049413933 15.999 > 19 20 O 0.74946764337663 0.59765183732822 0.41201049413933 15.999 > 19 21 O 0.24946764337663 0.90234816267178 0.91201049413933 15.999 > 21 22 O 0.74946764337663 0.90234816267178 0.91201049413933 15.999 > 21 23 O 0.25053235662337 0.40234816267178 0.58798950586067 15.999 > 23 24 O 0.75053235662337 0.40234816267178 0.58798950586067 15.999 > 23 25 O 0.37582856075195 0.08680913809655 0.97382545114020 15.999 > 25 26 O 0.87582856075195 0.08680913809655 0.97382545114020 15.999 > 25 27 O 0.12417143924805 0.58680913809655 0.52617454885980 15.999 > 27 28 O 0.62417143924805 0.58680913809655 0.52617454885980 15.999 > 27 29 O 0.12417143924805 0.91319086190345 0.02617454885980 15.999 > 29 30 O 0.62417143924805 0.91319086190345 0.02617454885980 15.999 > 29 31 O 0.37582856075195 0.41319086190345 0.47382545114020 15.999 > 31 32 O 0.87582856075195 0.41319086190345 0.47382545114020 15.999 > 31 33 O 0.14835734235988 0.09097982758379 0.72702721644327 15.999 > 33 34 O 0.64835734235988 0.09097982758379 0.72702721644327 15.999 > 33 35 O 0.25380292668260 0.07495074788395 0.60668941561371 15.999 > 35 36 O 0.75380292668260 0.07495074788395 0.60668941561371 15.999 > 35 37 O 0.24619707331740 0.92504925211605 0.39331058438629 15.999 > 37 38 O 0.74619707331740 0.92504925211605 0.39331058438629 15.999 > 37 39 O 0.25380292668260 0.42504925211605 0.10668941561371 15.999 > 39 40 O 0.75380292668260 0.42504925211605 0.10668941561371 15.999 > 39 41 O 0.36016342102033 0.08270566476068 0.41835129704661 15.999 > 41 42 O 0.86016342102033 0.08270566476068 0.41835129704661 15.999 > 41 43 O 0.13983657897967 0.58270566476068 0.08164870295339 15.999 > 43 44 O 0.63983657897967 0.58270566476068 0.08164870295339 15.999 > 43 45 O 0.13983657897967 0.91729433523932 0.58164870295339 15.999 > 45 46 O 0.63983657897967 0.91729433523932 0.58164870295339 15.999 > 45 47 O 0.36016342102033 0.41729433523932 0.91835129704661 15.999 > 47 48 O 0.86016342102033 0.41729433523932 0.91835129704661 15.999 > 47 49 O 0.00639729125665 0.25232978359406 0.00600427393409 15.999 > 49 50 O 0.50639729125665 0.25232978359406 0.00600427393409 15.999 > 49 51 O 0.49360270874335 0.75232978359406 0.49399572606591 15.999 > 51 52 O 0.99360270874335 0.75232978359406 0.49399572606591 15.999 > 51 53 O 0.49360270874335 0.74767021640594 0.99399572606591 15.999 > 53 54 O 0.99360270874335 0.74767021640594 0.99399572606591 15.999 > 53 55 O 0.00639729125665 0.24767021640594 0.50600427393409 15.999 > 55 56 O 0.50639729125665 0.24767021640594 0.50600427393409 15.999 > 55 57 O 0.13231250474068 0.25842707259781 0.87424656863824 15.999 > 57 58 O 0.63231250474068 0.25842707259781 0.87424656863824 15.999 > 57 59 O 0.36768749525932 0.75842707259781 0.62575343136176 15.999 > 59 60 O 0.86768749525932 0.75842707259781 0.62575343136176 15.999 > 59 61 O 0.36768749525932 0.74157292740219 0.12575343136176 15.999 > 61 62 O 0.86768749525932 0.74157292740219 0.12575343136176 15.999 > 61 63 O 0.13231250474068 0.24157292740219 0.37424656863824 15.999 > 63 64 O 0.63231250474068 0.24157292740219 0.37424656863824 15.999 > 63 65 O 0.25979123032729 0.24151707976706 0.75706583490317 15.999 > 65 66 O 0.75979123032729 0.24151707976706 0.75706583490317 15.999 > 65 67 O 0.24020876967271 0.74151707976706 0.74293416509683 15.999 > 67 68 O 0.74020876967271 0.74151707976706 0.74293416509683 15.999 > 67 69 O 0.24020876967271 0.75848292023294 0.24293416509683 15.999 > 69 70 O 0.74020876967271 0.75848292023294 0.24293416509683 15.999 > 69 71 O 0.25979123032729 0.25848292023294 0.25706583490316 15.999 > 71 72 O 0.75979123032729 0.25848292023294 0.25706583490316 15.999 > 71 73 O 0.38301839325056 0.25984283690078 0.62918782291427 15.999 > 73 74 O 0.88301839325056 0.25984283690078 0.62918782291427 15.999 > 73 75 O 0.11698160674944 0.75984283690078 0.87081217708573 15.999 > 75 76 O 0.61698160674944 0.75984283690078 0.87081217708573 15.999 > 75 77 O 0.11698160674944 0.74015716309922 0.37081217708573 15.999 > 77 78 O 0.61698160674944 0.74015716309922 0.37081217708573 15.999 > 77 79 O 0.38301839325056 0.24015716309922 0.12918782291427 15.999 > 79 80 O 0.88301839325056 0.24015716309922 0.12918782291427 15.999 > 79 81 O 0.14835734235988 0.40902017241621 0.22702721644327 15.999 > 81 82 O 0.64835734235988 0.40902017241621 0.22702721644327 15.999 > 81 83 O 0.35164265764012 0.90902017241621 0.27297278355673 15.999 > 83 84 O 0.85164265764012 0.90902017241621 0.27297278355673 15.999 > 83 85 O 0.35164265764012 0.59097982758379 0.77297278355673 15.999 > 85 86 O 0.85164265764012 0.59097982758379 0.77297278355673 15.999 > 85 87 O 0.24619707331740 0.57495074788395 0.89331058438629 15.999 > 87 88 O 0.74619707331740 0.57495074788395 0.89331058438629 15.999 > 87 89 Ti 0.26179765645982 0.50872302469854 0.26865034888508 47.867 > 89 90 Ti 0.76179765645982 0.50872302469854 0.26865034888508 47.867 > 89 91 Ti 0.23820234354018 0.00872302469854 0.23134965111492 47.867 > 91 92 Ti 0.73820234354018 0.00872302469854 0.23134965111492 47.867 > 91 93 Ti 0.23820234354018 0.49127697530146 0.73134965111492 47.867 > 93 94 Ti 0.73820234354018 0.49127697530146 0.73134965111492 47.867 > 93 95 Ti 0.26179765645982 0.99127697530146 0.76865034888508 47.867 > 95 96 Ti 0.76179765645982 0.99127697530146 0.76865034888508 47.867 > 95 97 Ti 0.14671727462633 0.16124143987983 0.55109432524880 47.867 > 97 98 Ti 0.64671727462633 0.16124143987983 0.55109432524880 47.867 > 97 99 Ti 0.35328272537367 0.66124143987983 0.94890567475120 47.867 > 99 100 Ti 0.85328272537367 0.66124143987983 0.94890567475120 47.867 > 99 101 Ti 0.35328272537367 0.83875856012017 0.44890567475120 47.867 > 101 102 Ti 0.85328272537367 0.83875856012017 0.44890567475120 47.867 > 101 103 Ti 0.14671727462633 0.33875856012016 0.05109432524880 47.867 > 103 104 Ti 0.64671727462633 0.33875856012016 0.05109432524880 47.867 > 103 105 Ti 0.25480844860447 0.17480655913764 0.92990613920413 47.867 > 105 106 Ti 0.75480844860447 0.17480655913764 0.92990613920413 47.867 > 105 107 Ti 0.24519155139553 0.67480655913764 0.57009386079587 47.867 > 107 108 Ti 0.74519155139553 0.67480655913764 0.57009386079587 47.867 > 107 109 Ti 0.24519155139553 0.82519344086236 0.07009386079587 47.867 > 109 110 Ti 0.74519155139553 0.82519344086236 0.07009386079587 47.867 > 109 111 Ti 0.25480844860447 0.32519344086236 0.42990613920413 47.867 > 111 112 Ti 0.75480844860447 0.32519344086236 0.42990613920413 47.867 > 111 113 Ti 0.01178698293723 0.16127442684588 0.15604153800811 47.867 > 113 114 Ti 0.51178698293724 0.16127442684588 0.15604153800811 47.867 > 113 115 Ti 0.48821301706276 0.66127442684588 0.34395846199189 47.867 > 115 116 Ti 0.98821301706276 0.66127442684588 0.34395846199189 47.867 > 115 117 Ti 0.48821301706276 0.83872557315412 0.84395846199189 47.867 > 117 118 Ti 0.98821301706276 0.83872557315412 0.84395846199189 47.867 > 117 119 Ti 0.01178698293723 0.33872557315412 0.65604153800811 47.867 > 119 120 Ti 0.51178698293724 0.33872557315412 0.65604153800811 47.867 > 119 121 Ti 0.38023873895036 0.17486261683437 0.31033044510067 47.867 > 121 122 Ti 0.88023873895036 0.17486261683437 0.31033044510067 47.867 > 121 123 Ti 0.11976126104964 0.67486261683437 0.18966955489933 47.867 > 123 124 Ti 0.61976126104964 0.67486261683437 0.18966955489933 47.867 > 123 125 Ti 0.11976126104964 0.82513738316563 0.68966955489933 47.867 > 125 126 Ti 0.61976126104964 0.82513738316563 0.68966955489933 47.867 > 125 127 Ti 0.38023873895036 0.32513738316563 0.81033044510067 47.867 > 127 128 Ti 0.88023873895036 0.32513738316563 0.81033044510067 47.867 > 127 129 Ba 0.48381956559378 0.41729900283020 0.26807199344106 137.327 > 129 130 Ba 0.98381956559378 0.41729900283020 0.26807199344106 137.327 > 129 131 Ba 0.01618043440622 0.91729900283020 0.23192800655894 137.327 > 131 132 Ba 0.51618043440622 0.91729900283020 0.23192800655894 137.327 > 131 133 Ba 0.01618043440622 0.58270099716980 0.73192800655894 137.327 > 133 134 Ba 0.51618043440622 0.58270099716980 0.73192800655894 137.327 > 133 135 Ba 0.48381956559378 0.08270099716980 0.76807199344106 137.327 > 135 136 Ba 0.98381956559378 0.08270099716980 0.76807199344106 137.327 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9941246 0.0000000 0.1754456 0.0000000 6.0655150 0.0000000 0.1754400 0.0000000 6.1373659 -------------------------- Born effective charges -------------------------- 1 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 2 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 3 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 4 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 5 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 6 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 7 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 8 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 9 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 10 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 11 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 12 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 13 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 14 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 15 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 16 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 17 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 18 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 19 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 20 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 21 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 22 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 23 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 24 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 25 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 26 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 27 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 28 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 29 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 30 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 31 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 32 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 33 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 34 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 35 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 36 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 37 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 38 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 39 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 40 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 41 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 42 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 43 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 44 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 45 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 46 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 47 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 48 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 49 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 50 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 51 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 52 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 53 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 54 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 55 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 56 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 57 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 58 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 59 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 60 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 61 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 62 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 63 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 64 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 65 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 66 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 67 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 68 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:38:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:38:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.531345520506320 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): 1 O 0.21043165675880 0.07137736259255 0.17023451359734 15.999 2 O 0.78956834324120 0.57137736259255 0.32976548640266 15.999 3 O 0.78956834324120 0.92862263740745 0.82976548640266 15.999 4 O 0.21043165675880 0.42862263740745 0.67023451359734 15.999 5 O 0.01791468544553 0.10282686783417 0.33904283013844 15.999 6 O 0.98208531455447 0.60282686783417 0.16095716986156 15.999 7 O 0.98208531455447 0.89717313216583 0.66095716986156 15.999 8 O 0.01791468544553 0.39717313216583 0.83904283013844 15.999 9 O 0.50106471324675 0.09765183732822 0.08798950586067 15.999 10 O 0.49893528675325 0.59765183732822 0.41201049413933 15.999 11 O 0.49893528675325 0.90234816267178 0.91201049413933 15.999 12 O 0.50106471324675 0.40234816267178 0.58798950586067 15.999 13 O 0.75165712150389 0.08680913809655 0.97382545114020 15.999 14 O 0.24834287849611 0.58680913809655 0.52617454885980 15.999 15 O 0.24834287849611 0.91319086190345 0.02617454885980 15.999 16 O 0.75165712150389 0.41319086190345 0.47382545114020 15.999 17 O 0.29671468471975 0.09097982758379 0.72702721644327 15.999 18 O 0.50760585336519 0.07495074788395 0.60668941561371 15.999 19 O 0.49239414663481 0.92504925211605 0.39331058438629 15.999 20 O 0.50760585336519 0.42504925211605 0.10668941561371 15.999 21 O 0.72032684204065 0.08270566476068 0.41835129704661 15.999 22 O 0.27967315795935 0.58270566476068 0.08164870295339 15.999 23 O 0.27967315795935 0.91729433523932 0.58164870295339 15.999 24 O 0.72032684204065 0.41729433523932 0.91835129704661 15.999 25 O 0.01279458251330 0.25232978359406 0.00600427393409 15.999 26 O 0.98720541748670 0.75232978359406 0.49399572606591 15.999 27 O 0.98720541748670 0.74767021640594 0.99399572606591 15.999 28 O 0.01279458251330 0.24767021640594 0.50600427393409 15.999 29 O 0.26462500948135 0.25842707259781 0.87424656863824 15.999 30 O 0.73537499051865 0.75842707259781 0.62575343136176 15.999 31 O 0.73537499051865 0.74157292740219 0.12575343136176 15.999 32 O 0.26462500948135 0.24157292740219 0.37424656863824 15.999 33 O 0.51958246065459 0.24151707976706 0.75706583490317 15.999 34 O 0.48041753934541 0.74151707976706 0.74293416509683 15.999 35 O 0.48041753934541 0.75848292023294 0.24293416509683 15.999 36 O 0.51958246065459 0.25848292023294 0.25706583490316 15.999 37 O 0.76603678650111 0.25984283690078 0.62918782291427 15.999 38 O 0.23396321349888 0.75984283690078 0.87081217708573 15.999 39 O 0.23396321349888 0.74015716309922 0.37081217708573 15.999 40 O 0.76603678650111 0.24015716309922 0.12918782291427 15.999 41 O 0.29671468471975 0.40902017241621 0.22702721644327 15.999 42 O 0.70328531528025 0.90902017241621 0.27297278355673 15.999 43 O 0.70328531528025 0.59097982758379 0.77297278355673 15.999 44 O 0.49239414663481 0.57495074788395 0.89331058438629 15.999 45 Ti 0.52359531291965 0.50872302469854 0.26865034888508 47.867 46 Ti 0.47640468708035 0.00872302469854 0.23134965111492 47.867 47 Ti 0.47640468708035 0.49127697530146 0.73134965111492 47.867 48 Ti 0.52359531291965 0.99127697530146 0.76865034888508 47.867 49 Ti 0.29343454925267 0.16124143987983 0.55109432524880 47.867 50 Ti 0.70656545074733 0.66124143987983 0.94890567475120 47.867 51 Ti 0.70656545074733 0.83875856012017 0.44890567475120 47.867 52 Ti 0.29343454925267 0.33875856012016 0.05109432524880 47.867 53 Ti 0.50961689720895 0.17480655913764 0.92990613920413 47.867 54 Ti 0.49038310279105 0.67480655913764 0.57009386079587 47.867 55 Ti 0.49038310279105 0.82519344086236 0.07009386079587 47.867 56 Ti 0.50961689720895 0.32519344086236 0.42990613920413 47.867 57 Ti 0.02357396587447 0.16127442684588 0.15604153800811 47.867 58 Ti 0.97642603412553 0.66127442684588 0.34395846199189 47.867 59 Ti 0.97642603412553 0.83872557315412 0.84395846199189 47.867 60 Ti 0.02357396587447 0.33872557315412 0.65604153800811 47.867 61 Ti 0.76047747790072 0.17486261683437 0.31033044510067 47.867 62 Ti 0.23952252209928 0.67486261683437 0.18966955489933 47.867 63 Ti 0.23952252209928 0.82513738316563 0.68966955489933 47.867 64 Ti 0.76047747790072 0.32513738316563 0.81033044510067 47.867 65 Ba 0.96763913118757 0.41729900283020 0.26807199344106 137.327 66 Ba 0.03236086881243 0.91729900283020 0.23192800655894 137.327 67 Ba 0.03236086881243 0.58270099716980 0.73192800655894 137.327 68 Ba 0.96763913118757 0.08270099716980 0.76807199344106 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.062691041012640 0.000000000000000 0.000000000000000 b 0.000000000000000 14.061377460000003 0.000000000000000 c -6.410166119815988 0.000000000000000 7.560614111186164 Atomic positions (fractional): 1 O 0.10521582837940 0.07137736259255 0.17023451359734 15.999 > 1 2 O 0.60521582837940 0.07137736259255 0.17023451359734 15.999 > 1 3 O 0.39478417162060 0.57137736259255 0.32976548640266 15.999 > 3 4 O 0.89478417162060 0.57137736259255 0.32976548640266 15.999 > 3 5 O 0.39478417162060 0.92862263740745 0.82976548640266 15.999 > 5 6 O 0.89478417162060 0.92862263740745 0.82976548640266 15.999 > 5 7 O 0.10521582837940 0.42862263740745 0.67023451359734 15.999 > 7 8 O 0.60521582837940 0.42862263740745 0.67023451359734 15.999 > 7 9 O 0.00895734272276 0.10282686783417 0.33904283013844 15.999 > 9 10 O 0.50895734272276 0.10282686783417 0.33904283013844 15.999 > 9 11 O 0.49104265727724 0.60282686783417 0.16095716986156 15.999 > 11 12 O 0.99104265727724 0.60282686783417 0.16095716986156 15.999 > 11 13 O 0.49104265727724 0.89717313216583 0.66095716986156 15.999 > 13 14 O 0.99104265727724 0.89717313216583 0.66095716986156 15.999 > 13 15 O 0.00895734272276 0.39717313216583 0.83904283013844 15.999 > 15 16 O 0.50895734272276 0.39717313216583 0.83904283013844 15.999 > 15 17 O 0.25053235662337 0.09765183732822 0.08798950586067 15.999 > 17 18 O 0.75053235662337 0.09765183732822 0.08798950586067 15.999 > 17 19 O 0.24946764337663 0.59765183732822 0.41201049413933 15.999 > 19 20 O 0.74946764337663 0.59765183732822 0.41201049413933 15.999 > 19 21 O 0.24946764337663 0.90234816267178 0.91201049413933 15.999 > 21 22 O 0.74946764337663 0.90234816267178 0.91201049413933 15.999 > 21 23 O 0.25053235662337 0.40234816267178 0.58798950586067 15.999 > 23 24 O 0.75053235662337 0.40234816267178 0.58798950586067 15.999 > 23 25 O 0.37582856075195 0.08680913809655 0.97382545114020 15.999 > 25 26 O 0.87582856075195 0.08680913809655 0.97382545114020 15.999 > 25 27 O 0.12417143924805 0.58680913809655 0.52617454885980 15.999 > 27 28 O 0.62417143924805 0.58680913809655 0.52617454885980 15.999 > 27 29 O 0.12417143924805 0.91319086190345 0.02617454885980 15.999 > 29 30 O 0.62417143924805 0.91319086190345 0.02617454885980 15.999 > 29 31 O 0.37582856075195 0.41319086190345 0.47382545114020 15.999 > 31 32 O 0.87582856075195 0.41319086190345 0.47382545114020 15.999 > 31 33 O 0.14835734235988 0.09097982758379 0.72702721644327 15.999 > 33 34 O 0.64835734235988 0.09097982758379 0.72702721644327 15.999 > 33 35 O 0.25380292668260 0.07495074788395 0.60668941561371 15.999 > 35 36 O 0.75380292668260 0.07495074788395 0.60668941561371 15.999 > 35 37 O 0.24619707331740 0.92504925211605 0.39331058438629 15.999 > 37 38 O 0.74619707331740 0.92504925211605 0.39331058438629 15.999 > 37 39 O 0.25380292668260 0.42504925211605 0.10668941561371 15.999 > 39 40 O 0.75380292668260 0.42504925211605 0.10668941561371 15.999 > 39 41 O 0.36016342102033 0.08270566476068 0.41835129704661 15.999 > 41 42 O 0.86016342102033 0.08270566476068 0.41835129704661 15.999 > 41 43 O 0.13983657897967 0.58270566476068 0.08164870295339 15.999 > 43 44 O 0.63983657897967 0.58270566476068 0.08164870295339 15.999 > 43 45 O 0.13983657897967 0.91729433523932 0.58164870295339 15.999 > 45 46 O 0.63983657897967 0.91729433523932 0.58164870295339 15.999 > 45 47 O 0.36016342102033 0.41729433523932 0.91835129704661 15.999 > 47 48 O 0.86016342102033 0.41729433523932 0.91835129704661 15.999 > 47 49 O 0.00639729125665 0.25232978359406 0.00600427393409 15.999 > 49 50 O 0.50639729125665 0.25232978359406 0.00600427393409 15.999 > 49 51 O 0.49360270874335 0.75232978359406 0.49399572606591 15.999 > 51 52 O 0.99360270874335 0.75232978359406 0.49399572606591 15.999 > 51 53 O 0.49360270874335 0.74767021640594 0.99399572606591 15.999 > 53 54 O 0.99360270874335 0.74767021640594 0.99399572606591 15.999 > 53 55 O 0.00639729125665 0.24767021640594 0.50600427393409 15.999 > 55 56 O 0.50639729125665 0.24767021640594 0.50600427393409 15.999 > 55 57 O 0.13231250474068 0.25842707259781 0.87424656863824 15.999 > 57 58 O 0.63231250474068 0.25842707259781 0.87424656863824 15.999 > 57 59 O 0.36768749525932 0.75842707259781 0.62575343136176 15.999 > 59 60 O 0.86768749525932 0.75842707259781 0.62575343136176 15.999 > 59 61 O 0.36768749525932 0.74157292740219 0.12575343136176 15.999 > 61 62 O 0.86768749525932 0.74157292740219 0.12575343136176 15.999 > 61 63 O 0.13231250474068 0.24157292740219 0.37424656863824 15.999 > 63 64 O 0.63231250474068 0.24157292740219 0.37424656863824 15.999 > 63 65 O 0.25979123032729 0.24151707976706 0.75706583490317 15.999 > 65 66 O 0.75979123032729 0.24151707976706 0.75706583490317 15.999 > 65 67 O 0.24020876967271 0.74151707976706 0.74293416509683 15.999 > 67 68 O 0.74020876967271 0.74151707976706 0.74293416509683 15.999 > 67 69 O 0.24020876967271 0.75848292023294 0.24293416509683 15.999 > 69 70 O 0.74020876967271 0.75848292023294 0.24293416509683 15.999 > 69 71 O 0.25979123032729 0.25848292023294 0.25706583490316 15.999 > 71 72 O 0.75979123032729 0.25848292023294 0.25706583490316 15.999 > 71 73 O 0.38301839325056 0.25984283690078 0.62918782291427 15.999 > 73 74 O 0.88301839325056 0.25984283690078 0.62918782291427 15.999 > 73 75 O 0.11698160674944 0.75984283690078 0.87081217708573 15.999 > 75 76 O 0.61698160674944 0.75984283690078 0.87081217708573 15.999 > 75 77 O 0.11698160674944 0.74015716309922 0.37081217708573 15.999 > 77 78 O 0.61698160674944 0.74015716309922 0.37081217708573 15.999 > 77 79 O 0.38301839325056 0.24015716309922 0.12918782291427 15.999 > 79 80 O 0.88301839325056 0.24015716309922 0.12918782291427 15.999 > 79 81 O 0.14835734235988 0.40902017241621 0.22702721644327 15.999 > 81 82 O 0.64835734235988 0.40902017241621 0.22702721644327 15.999 > 81 83 O 0.35164265764012 0.90902017241621 0.27297278355673 15.999 > 83 84 O 0.85164265764012 0.90902017241621 0.27297278355673 15.999 > 83 85 O 0.35164265764012 0.59097982758379 0.77297278355673 15.999 > 85 86 O 0.85164265764012 0.59097982758379 0.77297278355673 15.999 > 85 87 O 0.24619707331740 0.57495074788395 0.89331058438629 15.999 > 87 88 O 0.74619707331740 0.57495074788395 0.89331058438629 15.999 > 87 89 Ti 0.26179765645982 0.50872302469854 0.26865034888508 47.867 > 89 90 Ti 0.76179765645982 0.50872302469854 0.26865034888508 47.867 > 89 91 Ti 0.23820234354018 0.00872302469854 0.23134965111492 47.867 > 91 92 Ti 0.73820234354018 0.00872302469854 0.23134965111492 47.867 > 91 93 Ti 0.23820234354018 0.49127697530146 0.73134965111492 47.867 > 93 94 Ti 0.73820234354018 0.49127697530146 0.73134965111492 47.867 > 93 95 Ti 0.26179765645982 0.99127697530146 0.76865034888508 47.867 > 95 96 Ti 0.76179765645982 0.99127697530146 0.76865034888508 47.867 > 95 97 Ti 0.14671727462633 0.16124143987983 0.55109432524880 47.867 > 97 98 Ti 0.64671727462633 0.16124143987983 0.55109432524880 47.867 > 97 99 Ti 0.35328272537367 0.66124143987983 0.94890567475120 47.867 > 99 100 Ti 0.85328272537367 0.66124143987983 0.94890567475120 47.867 > 99 101 Ti 0.35328272537367 0.83875856012017 0.44890567475120 47.867 > 101 102 Ti 0.85328272537367 0.83875856012017 0.44890567475120 47.867 > 101 103 Ti 0.14671727462633 0.33875856012016 0.05109432524880 47.867 > 103 104 Ti 0.64671727462633 0.33875856012016 0.05109432524880 47.867 > 103 105 Ti 0.25480844860447 0.17480655913764 0.92990613920413 47.867 > 105 106 Ti 0.75480844860447 0.17480655913764 0.92990613920413 47.867 > 105 107 Ti 0.24519155139553 0.67480655913764 0.57009386079587 47.867 > 107 108 Ti 0.74519155139553 0.67480655913764 0.57009386079587 47.867 > 107 109 Ti 0.24519155139553 0.82519344086236 0.07009386079587 47.867 > 109 110 Ti 0.74519155139553 0.82519344086236 0.07009386079587 47.867 > 109 111 Ti 0.25480844860447 0.32519344086236 0.42990613920413 47.867 > 111 112 Ti 0.75480844860447 0.32519344086236 0.42990613920413 47.867 > 111 113 Ti 0.01178698293723 0.16127442684588 0.15604153800811 47.867 > 113 114 Ti 0.51178698293724 0.16127442684588 0.15604153800811 47.867 > 113 115 Ti 0.48821301706276 0.66127442684588 0.34395846199189 47.867 > 115 116 Ti 0.98821301706276 0.66127442684588 0.34395846199189 47.867 > 115 117 Ti 0.48821301706276 0.83872557315412 0.84395846199189 47.867 > 117 118 Ti 0.98821301706276 0.83872557315412 0.84395846199189 47.867 > 117 119 Ti 0.01178698293723 0.33872557315412 0.65604153800811 47.867 > 119 120 Ti 0.51178698293724 0.33872557315412 0.65604153800811 47.867 > 119 121 Ti 0.38023873895036 0.17486261683437 0.31033044510067 47.867 > 121 122 Ti 0.88023873895036 0.17486261683437 0.31033044510067 47.867 > 121 123 Ti 0.11976126104964 0.67486261683437 0.18966955489933 47.867 > 123 124 Ti 0.61976126104964 0.67486261683437 0.18966955489933 47.867 > 123 125 Ti 0.11976126104964 0.82513738316563 0.68966955489933 47.867 > 125 126 Ti 0.61976126104964 0.82513738316563 0.68966955489933 47.867 > 125 127 Ti 0.38023873895036 0.32513738316563 0.81033044510067 47.867 > 127 128 Ti 0.88023873895036 0.32513738316563 0.81033044510067 47.867 > 127 129 Ba 0.48381956559378 0.41729900283020 0.26807199344106 137.327 > 129 130 Ba 0.98381956559378 0.41729900283020 0.26807199344106 137.327 > 129 131 Ba 0.01618043440622 0.91729900283020 0.23192800655894 137.327 > 131 132 Ba 0.51618043440622 0.91729900283020 0.23192800655894 137.327 > 131 133 Ba 0.01618043440622 0.58270099716980 0.73192800655894 137.327 > 133 134 Ba 0.51618043440622 0.58270099716980 0.73192800655894 137.327 > 133 135 Ba 0.48381956559378 0.08270099716980 0.76807199344106 137.327 > 135 136 Ba 0.98381956559378 0.08270099716980 0.76807199344106 137.327 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9941246 0.0000000 0.1754456 0.0000000 6.0655150 0.0000000 0.1754400 0.0000000 6.1373659 -------------------------- Born effective charges -------------------------- 1 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 2 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 3 O -4.7512650 2.5880294 -0.6601078 2.1592494 -3.1366496 0.4572418 -0.4385297 0.3905622 -1.3598953 4 O -4.7512650 -2.5880294 -0.6601078 -2.1592494 -3.1366496 -0.4572418 -0.4385297 -0.3905622 -1.3598953 5 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 6 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 7 O -3.1747347 0.1012819 -0.2190099 0.2495944 -1.6513277 -0.0944244 -0.2324417 -0.1967455 -3.8268092 8 O -3.1747347 -0.1012819 -0.2190099 -0.2495944 -1.6513277 0.0944244 -0.2324417 0.1967455 -3.8268092 9 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 10 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 11 O -2.6269547 -1.5220094 1.1178325 -1.3950807 -2.9270737 0.7015880 0.7022367 0.6006923 -3.1748406 12 O -2.6269547 1.5220094 1.1178325 1.3950807 -2.9270737 -0.7015880 0.7022367 -0.6006923 -3.1748406 13 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 14 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 15 O -2.7881972 -0.0809196 -1.2346912 0.0479790 -2.9792858 -1.1595578 -1.0096419 -1.2441104 -3.0790799 16 O -2.7881972 0.0809196 -1.2346912 -0.0479790 -2.9792858 1.1595578 -1.0096419 1.2441104 -3.0790799 17 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 18 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 19 O -2.1194342 0.4116526 -0.2436456 0.5005252 -3.4981150 1.6062197 -0.1444258 1.3716034 -2.1148145 20 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 21 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 22 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 23 O -2.0409098 -1.5400145 -0.0853607 -1.7354266 -3.3699709 -0.3784224 -0.2688142 -0.5323659 -2.3619116 24 O -2.0409098 1.5400145 -0.0853607 1.7354266 -3.3699709 0.3784224 -0.2688142 0.5323659 -2.3619116 25 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 26 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 27 O -2.4151184 -0.7169526 -0.1895228 -0.8834062 -3.0177352 1.6858899 -0.3057795 1.6692787 -3.3755264 28 O -2.4151184 0.7169526 -0.1895228 0.8834062 -3.0177352 -1.6858899 -0.3057795 -1.6692787 -3.3755264 29 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 30 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 31 O -2.9252212 1.6968254 -0.1093653 1.6980253 -2.9814532 0.2775821 -0.1449156 0.3654461 -3.3356205 32 O -2.9252212 -1.6968254 -0.1093653 -1.6980253 -2.9814532 -0.2775821 -0.1449156 -0.3654461 -3.3356205 33 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 34 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 35 O -2.8870729 -1.6624812 0.0420517 -1.8785420 -2.7932732 -0.5193167 0.3615605 -0.1703391 -3.0392471 36 O -2.8870729 1.6624812 0.0420517 1.8785420 -2.7932732 0.5193167 0.3615605 0.1703391 -3.0392471 37 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 38 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 39 O -2.7975370 0.0402741 0.0016703 0.0586957 -1.8555177 0.3310310 -0.1221027 0.2023304 -3.1109179 40 O -2.7975370 -0.0402741 0.0016703 -0.0586957 -1.8555177 -0.3310310 -0.1221027 -0.2023304 -3.1109179 41 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 42 O -2.2162907 0.2650078 0.3305934 0.3718002 -2.8750962 -0.0268663 0.2772527 -0.1524501 -3.1504498 43 O -2.2162907 -0.2650078 0.3305934 -0.3718002 -2.8750962 0.0268663 0.2772527 0.1524501 -3.1504498 44 O -2.1194342 -0.4116526 -0.2436456 -0.5005252 -3.4981150 -1.6062197 -0.1444258 -1.3716034 -2.1148145 45 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 46 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 47 Ti 5.6825824 -0.3854578 1.0727787 -0.5745297 8.1261543 0.2797590 -0.0307589 -0.0055313 4.6902999 48 Ti 5.6825824 0.3854578 1.0727787 0.5745297 8.1261543 -0.2797590 -0.0307589 0.0055313 4.6902999 49 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 50 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 51 Ti 3.9955122 0.3186367 0.4367106 -0.7853515 4.8135300 -0.9104899 0.7822652 -0.8068571 7.1078989 52 Ti 3.9955122 -0.3186367 0.4367106 0.7853515 4.8135300 0.9104899 0.7822652 0.8068571 7.1078989 53 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 54 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 55 Ti 5.7281804 -0.5199006 -1.0693178 -0.7462831 4.7393305 -0.7767417 -0.3287212 -0.4516927 6.4312431 56 Ti 5.7281804 0.5199006 -1.0693178 0.7462831 4.7393305 0.7767417 -0.3287212 0.4516927 6.4312431 57 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 58 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 59 Ti 6.2489412 -0.5112996 0.6812550 0.0881180 5.1308263 0.1665908 -0.0871627 -0.1894373 6.1551197 60 Ti 6.2489412 0.5112996 0.6812550 -0.0881180 5.1308263 -0.1665908 -0.0871627 0.1894373 6.1551197 61 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 62 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 63 Ti 6.0132807 -0.3022417 0.0631499 -0.1323692 5.1688577 0.2545801 0.9566003 0.9061518 4.6545385 64 Ti 6.0132807 0.3022417 0.0631499 0.1323692 5.1688577 -0.2545801 0.9566003 -0.9061518 4.6545385 65 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 66 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 67 Ba 3.0742390 -0.0270023 0.0649789 -0.0752656 3.1067994 0.1084795 0.0333786 -0.0464139 2.8900126 68 Ba 3.0742390 0.0270023 0.0649789 0.0752656 3.1067994 -0.1084795 0.0333786 0.0464139 2.8900126 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 295, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.598 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.369 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 12.813 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.400 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 13.933 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 14.664 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 14.849 ( 0.000 0.000 0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.095 ( 0.000 0.000 0.000) 0.000 15.098 ( 0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.309 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 15.497 ( 0.000 0.000 0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.823 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 16.008 ( 0.000 0.000 0.000) 0.000 16.101 ( 0.000 0.000 0.000) 0.000 16.286 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.755 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.554 ( 0.000 0.000 0.000) 0.000 17.603 ( 0.000 0.000 0.000) 0.000 17.709 ( 0.000 0.000 0.000) 0.000 18.286 ( 0.000 0.000 0.000) 0.000 18.624 ( 0.000 0.000 0.000) 0.000 18.662 ( 0.000 0.000 0.000) 0.000 19.003 ( 0.000 0.000 0.000) 0.000 19.288 ( 0.000 0.000 0.000) 0.000 19.356 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 19.751 ( 0.000 0.000 0.000) 0.000 20.068 ( 0.000 0.000 0.000) 0.000 20.673 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 20.943 ( 0.000 0.000 0.000) 0.000 21.196 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.467 ( 0.000 0.000 0.000) 0.000 21.495 ( 0.000 0.000 0.000) 0.000 21.618 ( 0.000 0.000 0.000) 0.000 21.869 ( 0.000 0.000 0.000) 0.000 21.946 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 22.382 ( 0.000 0.000 0.000) 0.000 22.941 ( 0.000 0.000 0.000) 0.000 23.282 ( 0.000 0.000 0.000) 0.000 24.222 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.690 ( 0.000 0.000 0.000) 0.000 24.754 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 17.850 0.000 29.463) 34.448 0.779 ( 24.184 0.000 31.920) 40.047 1.286 ( 44.876 0.000 36.938) 58.123 1.814 ( 9.386 0.000 10.828) 14.330 2.025 ( -1.797 0.000 -0.792) 1.964 2.053 ( 1.061 0.000 1.817) 2.104 2.140 ( -0.797 0.000 -2.496) 2.620 2.144 ( 2.715 0.000 3.424) 4.370 2.273 ( -1.667 0.000 -1.616) 2.321 2.430 ( 2.904 0.000 3.647) 4.662 2.490 ( 1.417 0.000 -2.858) 3.190 2.589 ( -2.542 0.000 -3.451) 4.286 2.614 ( -2.701 0.000 -2.999) 4.036 2.746 ( -1.952 0.000 5.866) 6.182 2.797 ( 0.017 0.000 -1.146) 1.146 2.802 ( -1.352 0.000 6.255) 6.399 2.883 ( -2.495 0.000 0.121) 2.498 3.011 ( -0.068 0.000 -1.871) 1.872 3.264 ( 8.841 0.000 0.177) 8.843 3.358 ( 1.678 0.000 -1.452) 2.219 3.485 ( 5.537 0.000 5.403) 7.737 3.509 ( 1.555 0.000 -2.296) 2.773 3.540 ( 1.544 0.000 -3.564) 3.884 3.627 ( -8.462 0.000 -7.033) 11.003 3.800 ( -2.104 0.000 -2.890) 3.574 3.843 ( -8.064 0.000 9.617) 12.550 3.901 ( 4.659 0.000 -2.153) 5.132 3.994 ( -0.578 0.000 -7.521) 7.544 4.191 ( 1.663 0.000 5.044) 5.311 4.251 ( -11.594 0.000 -0.454) 11.603 4.294 ( 8.760 0.000 15.392) 17.710 4.521 ( 3.409 0.000 0.498) 3.445 4.671 ( 7.830 0.000 1.701) 8.012 4.677 ( -1.619 0.000 2.789) 3.225 4.907 ( 1.821 0.000 -8.803) 8.989 5.039 ( 3.085 0.000 6.156) 6.886 5.199 ( 7.501 0.000 -5.843) 9.508 5.393 ( -1.757 0.000 -9.989) 10.142 5.448 ( -0.160 0.000 2.940) 2.944 5.461 ( 4.635 0.000 4.212) 6.263 5.496 ( 7.385 0.000 3.226) 8.058 5.512 ( -0.800 0.000 -1.933) 2.092 5.670 ( -7.409 0.000 -2.988) 7.989 5.687 ( 6.161 0.000 4.992) 7.930 5.832 ( 3.170 0.000 -3.179) 4.489 5.846 ( 3.404 0.000 -0.650) 3.465 5.936 ( -0.400 0.000 3.326) 3.350 6.114 ( -3.646 0.000 -4.107) 5.492 6.154 ( 2.724 0.000 -1.037) 2.915 6.282 ( -3.801 0.000 0.071) 3.802 6.362 ( 0.236 0.000 -5.098) 5.103 6.372 ( 1.610 0.000 -1.785) 2.404 6.618 ( -2.390 0.000 4.995) 5.537 6.704 ( -7.663 0.000 4.499) 8.886 6.845 ( -6.001 0.000 5.924) 8.432 6.982 ( 0.092 0.000 -5.979) 5.980 7.003 ( -2.287 0.000 -7.376) 7.722 7.054 ( -1.133 0.000 -2.908) 3.120 7.154 ( 1.025 0.000 -2.602) 2.796 7.159 ( -6.881 0.000 -5.924) 9.080 7.250 ( -2.323 0.000 -1.237) 2.632 7.268 ( 1.417 0.000 -1.387) 1.983 7.360 ( 1.947 0.000 5.391) 5.732 7.432 ( -3.499 0.000 -5.654) 6.649 7.485 ( 3.248 0.000 -5.602) 6.476 7.531 ( -3.450 0.000 -0.813) 3.544 7.539 ( -4.412 0.000 -1.577) 4.685 7.763 ( -5.098 0.000 -1.152) 5.226 7.792 ( 3.398 0.000 7.789) 8.498 7.914 ( -6.856 0.000 -13.933) 15.529 8.081 ( -10.886 0.000 -7.736) 13.354 8.133 ( 4.435 0.000 13.253) 13.975 8.164 ( 2.818 0.000 10.011) 10.400 8.200 ( -10.957 0.000 -0.964) 10.999 8.298 ( -1.362 0.000 -3.050) 3.340 8.350 ( -13.679 0.000 -4.361) 14.358 8.466 ( -4.806 0.000 -8.921) 10.134 8.517 ( 0.922 0.000 1.830) 2.049 8.523 ( 0.847 0.000 1.576) 1.790 8.680 ( 1.182 0.000 -0.096) 1.186 8.723 ( 2.713 0.000 -3.278) 4.255 8.788 ( 4.447 0.000 -3.949) 5.948 8.868 ( -2.272 0.000 -1.074) 2.513 8.901 ( 1.828 0.000 -6.826) 7.067 8.968 ( 1.931 0.000 0.184) 1.940 9.018 ( 5.394 0.000 14.344) 15.324 9.037 ( 9.169 0.000 3.651) 9.869 9.161 ( -6.036 0.000 -2.368) 6.483 9.308 ( -4.057 0.000 0.198) 4.061 9.411 ( -1.839 0.000 3.576) 4.022 9.452 ( 2.582 0.000 4.500) 5.189 9.625 ( 4.845 0.000 8.018) 9.368 9.650 ( 6.542 0.000 -4.088) 7.714 9.793 ( -4.049 0.000 -3.295) 5.220 9.924 ( -2.042 0.000 9.583) 9.798 9.966 ( 4.900 0.000 10.005) 11.141 10.036 ( -20.646 0.000 19.008) 28.064 10.219 ( 0.981 0.000 0.002) 0.981 10.318 ( 6.080 0.000 -4.774) 7.730 10.418 ( 5.028 0.000 3.875) 6.348 10.436 ( 3.907 0.000 1.949) 4.366 10.538 ( 8.404 0.000 -0.635) 8.428 10.559 ( 1.016 0.000 5.620) 5.711 10.660 ( 1.336 0.000 7.193) 7.316 10.781 ( -1.837 0.000 1.163) 2.174 10.843 ( 4.889 0.000 1.372) 5.078 10.857 ( -10.222 0.000 5.475) 11.596 10.888 ( -3.988 0.000 6.773) 7.860 10.976 ( 0.757 0.000 -0.615) 0.975 11.052 ( -6.453 0.000 -11.159) 12.890 11.174 ( -0.727 0.000 1.901) 2.036 11.238 ( 3.638 0.000 7.617) 8.441 11.354 ( -6.738 0.000 6.895) 9.640 11.447 ( -6.623 0.000 6.847) 9.526 11.548 ( 8.845 0.000 2.345) 9.151 11.576 ( -4.778 0.000 1.117) 4.907 11.783 ( 0.596 0.000 -0.583) 0.834 11.853 ( 4.004 0.000 -2.845) 4.912 11.883 ( -6.602 0.000 -0.250) 6.607 12.012 ( -4.723 0.000 -1.785) 5.049 12.061 ( -0.464 0.000 -1.654) 1.718 12.190 ( 0.388 0.000 1.003) 1.075 12.248 ( -5.232 0.000 -6.827) 8.601 12.301 ( -0.143 0.000 1.545) 1.552 12.365 ( -1.437 0.000 3.808) 4.070 12.418 ( 2.580 0.000 -2.533) 3.616 12.445 ( 2.792 0.000 -2.550) 3.781 12.462 ( 3.668 0.000 4.450) 5.767 12.638 ( 4.018 0.000 4.676) 6.165 12.751 ( 1.208 0.000 -4.135) 4.308 12.907 ( -1.729 0.000 4.840) 5.139 12.928 ( -1.861 0.000 10.041) 10.212 12.947 ( 9.713 0.000 -5.723) 11.274 13.272 ( -12.206 0.000 7.639) 14.400 13.410 ( 1.534 0.000 -3.936) 4.224 13.488 ( 5.476 0.000 3.947) 6.750 13.540 ( -1.602 0.000 6.965) 7.147 13.871 ( -1.250 0.000 -1.877) 2.255 13.949 ( -9.188 0.000 -5.445) 10.681 13.962 ( -5.624 0.000 -8.333) 10.053 14.003 ( -4.092 0.000 -3.281) 5.245 14.068 ( -4.735 0.000 -5.961) 7.613 14.255 ( -0.703 0.000 -0.861) 1.112 14.265 ( 3.011 0.000 -6.715) 7.359 14.378 ( 0.178 0.000 -1.487) 1.498 14.463 ( -7.142 0.000 1.035) 7.216 14.567 ( 2.388 0.000 0.008) 2.388 14.589 ( 3.463 0.000 -5.999) 6.926 14.684 ( 3.414 0.000 -3.786) 5.098 14.744 ( 4.146 0.000 6.629) 7.819 14.892 ( 3.156 0.000 2.216) 3.856 14.906 ( 3.045 0.000 -12.545) 12.909 15.014 ( -2.727 0.000 -6.653) 7.190 15.128 ( 3.738 0.000 1.308) 3.960 15.213 ( -4.695 0.000 -2.754) 5.443 15.239 ( -0.382 0.000 3.452) 3.473 15.312 ( 3.128 0.000 -0.818) 3.234 15.420 ( -1.017 0.000 4.612) 4.723 15.471 ( 3.083 0.000 -5.147) 6.000 15.517 ( -7.879 0.000 10.399) 13.046 15.683 ( 5.284 0.000 -0.017) 5.284 15.685 ( -4.851 0.000 1.948) 5.228 15.821 ( 3.224 0.000 0.637) 3.286 15.828 ( 0.386 0.000 0.883) 0.963 15.922 ( -0.732 0.000 3.828) 3.898 16.100 ( -6.066 0.000 0.339) 6.076 16.125 ( 0.931 0.000 3.050) 3.189 16.299 ( -0.937 0.000 -4.573) 4.668 16.348 ( 0.779 0.000 -3.251) 3.343 16.502 ( 3.397 0.000 3.392) 4.800 16.691 ( -2.951 0.000 -4.764) 5.604 16.799 ( -0.055 0.000 -3.231) 3.231 17.429 ( 4.992 0.000 -2.121) 5.424 17.543 ( 5.527 0.000 0.644) 5.564 17.553 ( -0.438 0.000 -0.084) 0.446 17.709 ( 0.779 0.000 -1.049) 1.307 18.283 ( 0.264 0.000 -1.015) 1.049 18.544 ( 0.882 0.000 0.197) 0.903 18.606 ( -1.502 0.000 -6.341) 6.516 18.978 ( -4.991 0.000 2.944) 5.795 19.241 ( 17.388 0.000 -14.160) 22.425 19.418 ( 5.468 0.000 2.561) 6.038 19.688 ( -5.820 0.000 -1.005) 5.906 19.767 ( 0.136 0.000 2.096) 2.100 20.050 ( 0.376 0.000 11.716) 11.722 20.541 ( -5.676 0.000 -10.037) 11.531 20.770 ( -1.722 0.000 2.797) 3.285 20.895 ( -8.522 0.000 16.732) 18.777 20.962 ( 1.660 0.000 0.835) 1.858 21.191 ( -3.743 0.000 3.758) 5.304 21.445 ( 0.530 0.000 -7.545) 7.563 21.467 ( 0.553 0.000 1.277) 1.392 21.587 ( -3.397 0.000 8.898) 9.525 21.849 ( 1.823 0.000 -4.566) 4.917 21.979 ( -0.229 0.000 5.045) 5.050 22.061 ( 1.966 0.000 -1.834) 2.689 22.121 ( 7.090 0.000 4.596) 8.450 22.925 ( -0.904 0.000 -2.146) 2.329 23.182 ( -7.869 0.000 -5.993) 9.891 23.436 ( 6.578 0.000 -13.293) 14.832 24.169 ( -0.836 0.000 -5.198) 5.265 24.396 ( -0.579 0.000 0.755) 0.952 24.689 ( -1.662 0.000 0.500) 1.735 25.294 ( 10.303 0.000 -25.678) 27.668 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 16.695 0.000 24.858) 29.944 1.478 ( 18.013 0.000 28.273) 33.523 1.905 ( 9.660 0.000 8.460) 12.841 2.009 ( 3.226 0.000 1.945) 3.767 2.103 ( 6.281 0.000 3.603) 7.241 2.111 ( 2.270 0.000 2.954) 3.725 2.178 ( 3.042 0.000 2.068) 3.679 2.223 ( 1.127 0.000 2.587) 2.822 2.377 ( 9.223 0.000 0.005) 9.223 2.431 ( 0.554 0.000 -6.113) 6.138 2.514 ( 1.078 0.000 -0.736) 1.305 2.534 ( -1.811 0.000 -3.166) 3.647 2.611 ( 10.174 0.000 3.849) 10.877 2.770 ( -4.300 0.000 4.425) 6.170 2.783 ( -0.709 0.000 -0.116) 0.718 2.983 ( 5.411 0.000 14.862) 15.817 3.025 ( 12.544 0.000 9.305) 15.619 3.032 ( 1.285 0.000 0.409) 1.348 3.163 ( -4.532 0.000 -11.914) 12.747 3.414 ( -5.144 0.000 2.236) 5.609 3.472 ( -6.041 0.000 -4.472) 7.516 3.506 ( 15.348 0.000 15.838) 22.055 3.561 ( 1.987 0.000 -1.781) 2.669 3.695 ( 13.088 0.000 7.198) 14.937 3.827 ( 6.971 0.000 -0.361) 6.980 3.865 ( -5.331 0.000 -2.953) 6.094 3.905 ( -2.411 0.000 12.429) 12.660 4.080 ( 15.985 0.000 1.351) 16.042 4.087 ( -6.254 0.000 -1.375) 6.403 4.252 ( 5.782 0.000 -2.315) 6.228 4.461 ( -0.545 0.000 0.914) 1.064 4.574 ( 3.123 0.000 -3.084) 4.389 4.592 ( -9.949 0.000 0.919) 9.991 4.776 ( 3.085 0.000 -18.287) 18.545 4.813 ( 5.865 0.000 2.076) 6.222 5.099 ( -2.624 0.000 -12.295) 12.572 5.217 ( 0.161 0.000 -1.552) 1.560 5.293 ( 7.358 0.000 -1.502) 7.510 5.492 ( -4.024 0.000 1.079) 4.166 5.517 ( -5.108 0.000 -4.598) 6.873 5.544 ( 1.944 0.000 9.173) 9.377 5.607 ( 5.836 0.000 6.438) 8.689 5.623 ( 6.039 0.000 -0.150) 6.041 5.810 ( 0.098 0.000 -0.087) 0.131 5.901 ( -5.476 0.000 -2.910) 6.201 5.920 ( 4.535 0.000 -1.639) 4.822 5.991 ( 10.768 0.000 7.719) 13.249 6.036 ( 5.060 0.000 2.546) 5.665 6.084 ( -5.936 0.000 -1.115) 6.040 6.215 ( -4.166 0.000 -1.515) 4.433 6.320 ( -2.347 0.000 -5.627) 6.097 6.349 ( -4.026 0.000 4.338) 5.918 6.569 ( -5.808 0.000 3.783) 6.932 6.741 ( -9.397 0.000 5.618) 10.948 6.762 ( -5.078 0.000 -7.759) 9.273 6.769 ( -7.028 0.000 -2.548) 7.475 6.890 ( -3.749 0.000 -13.503) 14.014 6.892 ( 0.375 0.000 -3.270) 3.291 7.054 ( -4.013 0.000 -5.107) 6.496 7.107 ( -4.596 0.000 -0.820) 4.668 7.202 ( -11.623 0.000 3.640) 12.180 7.229 ( -2.859 0.000 -2.150) 3.577 7.230 ( -3.328 0.000 -4.092) 5.275 7.391 ( -0.193 0.000 -0.361) 0.409 7.424 ( -10.630 0.000 0.199) 10.632 7.447 ( 0.521 0.000 -6.297) 6.318 7.508 ( 0.379 0.000 0.828) 0.911 7.517 ( -8.004 0.000 -9.018) 12.058 7.804 ( -1.789 0.000 -11.526) 11.664 7.845 ( -1.063 0.000 -9.139) 9.201 7.937 ( 1.986 0.000 7.185) 7.455 8.036 ( -11.585 0.000 -6.330) 13.202 8.106 ( -9.029 0.000 0.574) 9.047 8.180 ( -16.506 0.000 -9.245) 18.919 8.283 ( 2.853 0.000 3.936) 4.861 8.335 ( -0.054 0.000 6.753) 6.753 8.436 ( 9.006 0.000 -1.232) 9.090 8.492 ( 1.383 0.000 0.854) 1.626 8.546 ( 5.434 0.000 7.912) 9.599 8.696 ( 3.630 0.000 -5.826) 6.864 8.706 ( -0.619 0.000 -2.902) 2.968 8.820 ( -3.287 0.000 4.595) 5.650 8.831 ( 6.060 0.000 -6.623) 8.977 8.844 ( -0.687 0.000 -1.675) 1.811 9.025 ( 7.445 0.000 -3.516) 8.234 9.114 ( -3.342 0.000 3.434) 4.792 9.190 ( 5.133 0.000 3.579) 6.257 9.255 ( 3.073 0.000 12.672) 13.040 9.342 ( 1.996 0.000 6.679) 6.971 9.483 ( 1.345 0.000 3.810) 4.040 9.511 ( -0.357 0.000 0.979) 1.042 9.566 ( -7.634 0.000 -4.400) 8.811 9.719 ( 1.558 0.000 -5.203) 5.431 9.833 ( 4.905 0.000 10.950) 11.998 9.962 ( -0.762 0.000 -4.501) 4.565 10.066 ( -0.326 0.000 12.532) 12.536 10.140 ( 4.356 0.000 2.036) 4.809 10.288 ( 5.489 0.000 2.540) 6.049 10.301 ( 4.282 0.000 -3.850) 5.759 10.453 ( -6.495 0.000 0.589) 6.522 10.469 ( -0.420 0.000 -7.137) 7.149 10.611 ( -0.072 0.000 3.547) 3.548 10.646 ( 3.330 0.000 4.485) 5.586 10.707 ( -7.267 0.000 -1.644) 7.451 10.731 ( -3.850 0.000 2.672) 4.686 10.886 ( 4.084 0.000 3.396) 5.311 10.929 ( 0.941 0.000 16.245) 16.272 10.976 ( 6.349 0.000 4.521) 7.794 10.978 ( 7.200 0.000 1.711) 7.401 11.086 ( -10.364 0.000 0.744) 10.391 11.092 ( 6.349 0.000 3.088) 7.060 11.351 ( 0.080 0.000 1.456) 1.458 11.365 ( 3.352 0.000 4.823) 5.874 11.416 ( -8.342 0.000 7.948) 11.522 11.603 ( -0.210 0.000 4.851) 4.855 11.629 ( 3.254 0.000 0.243) 3.263 11.736 ( -6.822 0.000 -0.810) 6.870 11.807 ( -0.490 0.000 0.590) 0.767 11.918 ( 0.500 0.000 4.845) 4.871 12.001 ( -6.079 0.000 2.259) 6.485 12.038 ( 4.669 0.000 3.478) 5.822 12.133 ( -3.381 0.000 -2.069) 3.964 12.207 ( 2.657 0.000 -0.031) 2.658 12.259 ( -2.772 0.000 -0.477) 2.812 12.402 ( -1.240 0.000 -1.478) 1.929 12.408 ( -1.768 0.000 4.441) 4.780 12.471 ( 3.736 0.000 -2.331) 4.403 12.581 ( 1.011 0.000 6.208) 6.290 12.759 ( 1.681 0.000 7.741) 7.921 12.769 ( 6.100 0.000 -1.249) 6.226 12.872 ( -7.440 0.000 1.861) 7.670 13.000 ( -3.923 0.000 9.196) 9.998 13.092 ( 12.555 0.000 -1.900) 12.698 13.184 ( -5.023 0.000 1.378) 5.209 13.337 ( -0.296 0.000 -9.633) 9.637 13.534 ( -0.078 0.000 -3.432) 3.433 13.592 ( -7.920 0.000 -8.629) 11.713 13.705 ( 1.946 0.000 -3.030) 3.601 13.729 ( -10.588 0.000 -2.624) 10.908 13.800 ( -9.953 0.000 -7.396) 12.400 13.936 ( -0.327 0.000 3.353) 3.369 14.054 ( 6.274 0.000 5.235) 8.171 14.194 ( 5.661 0.000 -11.226) 12.573 14.222 ( -0.213 0.000 -3.670) 3.676 14.353 ( -3.410 0.000 0.796) 3.502 14.376 ( -3.115 0.000 -2.417) 3.943 14.545 ( 1.636 0.000 -7.002) 7.191 14.627 ( 0.703 0.000 2.215) 2.324 14.708 ( 3.454 0.000 0.832) 3.553 14.729 ( -3.548 0.000 -13.109) 13.581 14.885 ( -0.066 0.000 -8.710) 8.710 14.897 ( 5.253 0.000 3.469) 6.295 15.001 ( 6.739 0.000 4.142) 7.911 15.134 ( -1.045 0.000 -4.530) 4.649 15.198 ( 2.872 0.000 1.062) 3.062 15.279 ( -1.576 0.000 -7.952) 8.107 15.318 ( 1.287 0.000 8.468) 8.566 15.414 ( -2.215 0.000 -1.498) 2.674 15.475 ( -1.030 0.000 5.012) 5.117 15.541 ( -3.232 0.000 3.785) 4.977 15.616 ( -7.631 0.000 4.063) 8.645 15.718 ( 4.148 0.000 -1.868) 4.549 15.839 ( -4.434 0.000 3.182) 5.457 15.851 ( 0.831 0.000 0.773) 1.135 16.044 ( 7.317 0.000 4.046) 8.361 16.053 ( -0.575 0.000 0.635) 0.856 16.209 ( -1.448 0.000 -5.884) 6.060 16.223 ( 5.108 0.000 6.061) 7.926 16.319 ( -1.315 0.000 -0.353) 1.362 16.573 ( 2.531 0.000 -0.077) 2.532 16.580 ( -2.433 0.000 -5.716) 6.212 16.720 ( -2.494 0.000 -6.144) 6.631 17.499 ( 4.521 0.000 1.962) 4.928 17.531 ( -0.205 0.000 -2.902) 2.909 17.684 ( 8.768 0.000 5.021) 10.104 17.696 ( -0.154 0.000 -2.465) 2.470 18.263 ( -0.426 0.000 -2.076) 2.120 18.484 ( -1.618 0.000 -8.313) 8.469 18.557 ( 0.593 0.000 -0.284) 0.658 18.947 ( -5.030 0.000 4.228) 6.571 19.299 ( 9.660 0.000 -10.342) 14.152 19.550 ( 8.160 0.000 0.712) 8.191 19.601 ( -3.256 0.000 -0.712) 3.333 19.788 ( -1.915 0.000 3.061) 3.611 20.217 ( 2.646 0.000 9.999) 10.343 20.297 ( -8.385 0.000 -10.657) 13.560 20.747 ( -3.304 0.000 -0.390) 3.327 20.974 ( 3.116 0.000 1.014) 3.277 21.000 ( 0.841 0.000 1.710) 1.906 21.185 ( -5.164 0.000 5.796) 7.762 21.343 ( 0.387 0.000 -9.125) 9.133 21.474 ( -0.292 0.000 -1.782) 1.806 21.639 ( -1.876 0.000 4.409) 4.791 21.827 ( 3.007 0.000 -4.113) 5.095 22.051 ( 0.435 0.000 5.769) 5.785 22.106 ( 3.603 0.000 2.627) 4.459 22.301 ( 5.272 0.000 7.778) 9.396 22.812 ( -9.351 0.000 -6.189) 11.214 22.989 ( -2.582 0.000 -6.742) 7.220 23.364 ( 1.709 0.000 -6.667) 6.883 24.111 ( 1.169 0.000 -3.863) 4.036 24.400 ( -0.456 0.000 1.416) 1.487 24.636 ( -4.646 0.000 -1.423) 4.859 25.082 ( -3.085 0.000 -15.131) 15.442 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 13.187 0.000 17.523) 21.931 1.955 ( 6.280 0.000 15.691) 16.901 2.058 ( 2.381 0.000 4.339) 4.949 2.157 ( 5.095 0.000 7.231) 8.846 2.177 ( 1.678 0.000 2.516) 3.024 2.207 ( 5.827 0.000 4.615) 7.433 2.234 ( 1.123 0.000 1.256) 1.685 2.337 ( 6.645 0.000 0.645) 6.676 2.382 ( 1.759 0.000 -2.810) 3.315 2.398 ( 4.358 0.000 -4.670) 6.388 2.514 ( 2.588 0.000 -1.187) 2.847 2.534 ( 0.801 0.000 1.175) 1.423 2.718 ( 0.059 0.000 2.186) 2.187 2.760 ( -1.839 0.000 -0.452) 1.893 2.928 ( 13.030 0.000 9.662) 16.222 3.000 ( 1.000 0.000 -0.672) 1.205 3.116 ( 0.344 0.000 -3.171) 3.189 3.129 ( 2.654 0.000 0.193) 2.661 3.140 ( -1.707 0.000 2.470) 3.003 3.332 ( -5.616 0.000 -0.569) 5.645 3.474 ( 4.722 0.000 10.765) 11.755 3.529 ( -0.224 0.000 -3.870) 3.876 3.762 ( 5.830 0.000 2.651) 6.404 3.831 ( -1.838 0.000 5.122) 5.442 3.879 ( 5.347 0.000 -2.752) 6.013 3.994 ( -2.857 0.000 3.975) 4.895 4.120 ( 7.095 0.000 2.453) 7.507 4.200 ( 0.160 0.000 1.132) 1.144 4.376 ( -0.855 0.000 -2.021) 2.194 4.389 ( -9.174 0.000 -10.071) 13.623 4.404 ( 22.334 0.000 4.916) 22.869 4.511 ( -3.952 0.000 -4.666) 6.114 4.528 ( 26.452 0.000 24.842) 36.288 4.622 ( 2.562 0.000 -13.071) 13.320 4.770 ( -7.219 0.000 -20.168) 21.421 4.939 ( 10.672 0.000 5.617) 12.060 5.220 ( -5.304 0.000 -0.879) 5.377 5.358 ( 4.437 0.000 0.124) 4.438 5.362 ( -1.879 0.000 -3.820) 4.257 5.465 ( -5.720 0.000 -0.759) 5.770 5.595 ( 0.631 0.000 -3.833) 3.885 5.640 ( 0.724 0.000 -0.780) 1.064 5.666 ( -11.276 0.000 -5.113) 12.381 5.797 ( 0.276 0.000 0.207) 0.344 5.819 ( -18.987 0.000 -15.632) 24.595 5.890 ( 8.773 0.000 5.198) 10.197 5.907 ( -5.975 0.000 6.047) 8.501 6.032 ( 8.718 0.000 0.031) 8.718 6.083 ( -4.491 0.000 -0.075) 4.491 6.174 ( -1.246 0.000 -1.115) 1.672 6.336 ( -4.754 0.000 4.353) 6.446 6.479 ( -3.490 0.000 -6.853) 7.690 6.542 ( 6.505 0.000 9.886) 11.834 6.649 ( -3.276 0.000 -6.695) 7.453 6.684 ( 1.695 0.000 0.479) 1.762 6.717 ( 9.277 0.000 6.297) 11.212 6.778 ( -10.014 0.000 2.964) 10.443 6.893 ( -5.397 0.000 1.701) 5.658 6.902 ( 1.835 0.000 -0.506) 1.903 7.035 ( -2.744 0.000 1.099) 2.956 7.046 ( -14.012 0.000 -5.362) 15.003 7.141 ( -4.706 0.000 -1.834) 5.051 7.179 ( -10.183 0.000 0.370) 10.189 7.263 ( -0.621 0.000 1.685) 1.796 7.323 ( -5.821 0.000 -3.349) 6.715 7.384 ( -5.242 0.000 3.172) 6.127 7.427 ( 5.468 0.000 -3.081) 6.277 7.578 ( -3.955 0.000 -9.665) 10.443 7.587 ( 4.322 0.000 6.144) 7.512 7.799 ( 3.188 0.000 -2.278) 3.919 7.868 ( -0.552 0.000 -6.841) 6.863 7.923 ( -5.922 0.000 -3.917) 7.100 7.984 ( -7.777 0.000 -1.763) 7.974 8.030 ( 2.677 0.000 0.712) 2.770 8.259 ( -8.559 0.000 -2.980) 9.063 8.343 ( -1.477 0.000 -0.327) 1.512 8.478 ( -7.811 0.000 -3.009) 8.371 8.507 ( 2.891 0.000 1.555) 3.283 8.649 ( -4.779 0.000 1.706) 5.074 8.653 ( 0.725 0.000 -6.229) 6.271 8.722 ( 3.241 0.000 -1.668) 3.645 8.737 ( -3.966 0.000 1.652) 4.296 8.802 ( 3.840 0.000 -2.453) 4.557 8.936 ( -0.532 0.000 5.178) 5.205 9.022 ( 3.062 0.000 -9.081) 9.584 9.109 ( -0.608 0.000 1.985) 2.076 9.284 ( 2.215 0.000 -2.247) 3.155 9.350 ( -6.388 0.000 5.302) 8.301 9.373 ( 0.418 0.000 -2.730) 2.762 9.517 ( 5.992 0.000 2.819) 6.622 9.520 ( 1.099 0.000 5.601) 5.708 9.583 ( 3.908 0.000 0.993) 4.033 9.734 ( 5.162 0.000 -2.520) 5.745 9.823 ( -5.007 0.000 -5.693) 7.582 9.898 ( 0.570 0.000 -6.759) 6.783 10.050 ( 0.199 0.000 -17.139) 17.140 10.231 ( 0.237 0.000 2.365) 2.377 10.283 ( -8.445 0.000 2.740) 8.879 10.349 ( -2.752 0.000 6.923) 7.450 10.408 ( 6.457 0.000 0.394) 6.469 10.498 ( 4.481 0.000 6.316) 7.744 10.592 ( -0.773 0.000 0.034) 0.773 10.693 ( 4.467 0.000 0.009) 4.467 10.728 ( -1.183 0.000 10.085) 10.154 10.749 ( 0.645 0.000 1.645) 1.767 10.898 ( -7.115 0.000 -1.879) 7.359 11.064 ( 6.139 0.000 10.485) 12.150 11.097 ( -0.850 0.000 9.204) 9.243 11.127 ( 6.701 0.000 0.996) 6.775 11.229 ( 5.101 0.000 6.896) 8.578 11.251 ( 10.551 0.000 7.557) 12.978 11.373 ( -4.999 0.000 3.112) 5.889 11.420 ( 4.666 0.000 0.570) 4.700 11.468 ( 1.772 0.000 4.878) 5.189 11.607 ( -4.820 0.000 -5.242) 7.121 11.652 ( 0.103 0.000 7.990) 7.990 11.697 ( 2.725 0.000 2.946) 4.013 11.874 ( -0.965 0.000 7.105) 7.170 11.908 ( -5.420 0.000 -2.316) 5.894 11.992 ( -6.502 0.000 11.574) 13.275 12.070 ( -4.191 0.000 0.903) 4.287 12.108 ( 1.301 0.000 0.440) 1.373 12.222 ( 1.644 0.000 0.911) 1.879 12.360 ( -2.686 0.000 -0.401) 2.716 12.363 ( 6.145 0.000 5.182) 8.038 12.427 ( 1.616 0.000 2.381) 2.877 12.469 ( 2.329 0.000 -4.993) 5.509 12.623 ( -3.894 0.000 4.936) 6.287 12.705 ( -9.298 0.000 -3.805) 10.046 12.850 ( -7.547 0.000 5.728) 9.475 12.856 ( 4.075 0.000 -0.224) 4.081 13.078 ( -1.448 0.000 10.357) 10.458 13.153 ( 4.558 0.000 0.843) 4.636 13.225 ( 4.345 0.000 -5.362) 6.902 13.253 ( -8.670 0.000 -13.078) 15.691 13.296 ( 8.074 0.000 1.658) 8.243 13.487 ( 1.282 0.000 -7.828) 7.932 13.542 ( -5.954 0.000 -11.112) 12.606 13.597 ( -5.075 0.000 -1.203) 5.216 13.709 ( 1.004 0.000 -5.585) 5.674 14.091 ( 5.738 0.000 7.136) 9.157 14.120 ( 0.151 0.000 1.136) 1.146 14.159 ( -1.198 0.000 -4.999) 5.141 14.257 ( -6.030 0.000 -4.752) 7.677 14.279 ( 8.548 0.000 5.358) 10.089 14.319 ( -4.344 0.000 0.210) 4.349 14.449 ( 2.468 0.000 -12.303) 12.548 14.550 ( -0.892 0.000 -6.477) 6.538 14.640 ( 1.208 0.000 -1.714) 2.097 14.781 ( 0.665 0.000 3.864) 3.921 14.838 ( 2.963 0.000 -3.093) 4.283 14.986 ( 1.458 0.000 2.902) 3.248 15.042 ( -3.446 0.000 -7.722) 8.456 15.088 ( -6.851 0.000 -6.054) 9.142 15.126 ( 4.547 0.000 0.236) 4.553 15.280 ( 5.123 0.000 3.623) 6.274 15.390 ( 1.242 0.000 -1.473) 1.927 15.415 ( 0.107 0.000 4.538) 4.539 15.521 ( -3.001 0.000 2.476) 3.891 15.549 ( 0.983 0.000 7.404) 7.469 15.585 ( -4.793 0.000 3.586) 5.986 15.774 ( -0.609 0.000 2.060) 2.148 15.828 ( 0.718 0.000 5.116) 5.166 15.870 ( 1.466 0.000 -0.251) 1.487 16.066 ( 0.819 0.000 -0.269) 0.862 16.120 ( -2.061 0.000 -3.950) 4.456 16.158 ( 3.183 0.000 0.734) 3.266 16.322 ( -0.339 0.000 3.041) 3.060 16.379 ( 4.297 0.000 1.726) 4.631 16.517 ( 3.036 0.000 -1.780) 3.519 16.567 ( 0.159 0.000 -3.620) 3.623 16.591 ( -3.322 0.000 -5.637) 6.543 17.475 ( -0.147 0.000 -5.098) 5.100 17.605 ( 5.056 0.000 3.148) 5.956 17.635 ( -2.154 0.000 -4.456) 4.949 17.907 ( 9.468 0.000 7.458) 12.053 18.222 ( -1.180 0.000 -2.309) 2.593 18.378 ( -0.340 0.000 -5.643) 5.653 18.546 ( -0.759 0.000 -1.427) 1.616 18.938 ( -3.603 0.000 4.598) 5.842 19.259 ( 0.883 0.000 -6.852) 6.908 19.578 ( 1.549 0.000 -2.421) 2.875 19.601 ( 1.916 0.000 -6.544) 6.818 19.819 ( -0.037 0.000 5.181) 5.181 20.081 ( -5.598 0.000 -4.978) 7.491 20.348 ( 1.146 0.000 5.886) 5.996 20.669 ( -4.304 0.000 -2.637) 5.047 20.997 ( 2.147 0.000 -3.220) 3.870 21.026 ( -0.073 0.000 1.912) 1.913 21.184 ( -3.129 0.000 3.810) 4.930 21.251 ( 0.419 0.000 -5.732) 5.747 21.395 ( -2.782 0.000 -6.965) 7.500 21.641 ( -0.676 0.000 -0.111) 0.685 21.833 ( 1.503 0.000 -0.975) 1.792 22.116 ( -0.837 0.000 4.428) 4.507 22.210 ( 1.661 0.000 5.307) 5.561 22.438 ( 1.998 0.000 4.972) 5.359 22.614 ( -2.963 0.000 -4.538) 5.420 22.914 ( -0.914 0.000 -4.197) 4.295 23.337 ( 2.493 0.000 -2.835) 3.775 24.106 ( 2.033 0.000 -0.773) 2.175 24.428 ( 1.375 0.000 2.436) 2.797 24.532 ( -5.077 0.000 -2.973) 5.883 24.853 ( -6.212 0.000 -9.838) 11.636 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 4.901 0.000 6.030) 7.771 2.059 ( -0.667 0.000 1.856) 1.972 2.126 ( 0.885 0.000 1.416) 1.669 2.218 ( 0.435 0.000 1.103) 1.186 2.259 ( 0.738 0.000 1.652) 1.810 2.264 ( 1.133 0.000 2.205) 2.479 2.309 ( 0.325 0.000 -0.282) 0.430 2.417 ( 6.405 0.000 4.252) 7.688 2.425 ( 3.655 0.000 -1.784) 4.067 2.459 ( 1.692 0.000 2.417) 2.950 2.529 ( 0.197 0.000 -0.430) 0.473 2.537 ( -0.912 0.000 -1.385) 1.659 2.745 ( 0.394 0.000 0.315) 0.505 2.773 ( 2.034 0.000 3.275) 3.855 2.947 ( -6.314 0.000 -0.927) 6.381 3.009 ( -3.443 0.000 -3.407) 4.844 3.103 ( -0.146 0.000 0.467) 0.489 3.236 ( 7.370 0.000 -0.432) 7.383 3.305 ( 12.422 0.000 6.263) 13.912 3.312 ( -2.386 0.000 5.944) 6.404 3.556 ( 6.231 0.000 0.221) 6.235 3.671 ( 4.606 0.000 6.620) 8.064 3.797 ( -5.410 0.000 0.512) 5.434 3.908 ( 2.502 0.000 5.150) 5.725 3.946 ( -3.316 0.000 0.581) 3.367 3.957 ( 2.461 0.000 1.158) 2.720 4.084 ( -1.571 0.000 -8.772) 8.912 4.124 ( -3.190 0.000 -8.963) 9.514 4.227 ( -1.067 0.000 1.358) 1.727 4.420 ( -3.838 0.000 -1.517) 4.127 4.461 ( 0.073 0.000 -10.808) 10.809 4.473 ( 4.001 0.000 6.375) 7.527 4.508 ( -2.838 0.000 -6.409) 7.009 4.591 ( 6.277 0.000 -2.785) 6.867 4.839 ( 2.137 0.000 1.385) 2.547 5.119 ( -4.784 0.000 1.118) 4.913 5.201 ( -3.880 0.000 -14.282) 14.800 5.324 ( 8.212 0.000 2.293) 8.527 5.354 ( -6.823 0.000 1.779) 7.051 5.445 ( -5.679 0.000 -5.061) 7.607 5.505 ( 4.224 0.000 3.173) 5.283 5.571 ( -1.145 0.000 0.287) 1.181 5.577 ( 4.671 0.000 5.400) 7.139 5.639 ( -0.945 0.000 1.735) 1.976 5.725 ( -3.181 0.000 -2.207) 3.872 5.811 ( -3.176 0.000 -1.999) 3.753 6.120 ( 10.266 0.000 1.909) 10.442 6.170 ( 5.723 0.000 1.680) 5.965 6.222 ( -2.025 0.000 11.733) 11.907 6.229 ( 8.091 0.000 0.420) 8.102 6.350 ( -1.315 0.000 -3.213) 3.472 6.385 ( 7.895 0.000 9.170) 12.100 6.470 ( -14.198 0.000 -4.662) 14.943 6.532 ( -3.043 0.000 -0.815) 3.151 6.661 ( 2.252 0.000 -2.258) 3.189 6.714 ( 0.533 0.000 -1.344) 1.446 6.811 ( -10.958 0.000 -0.660) 10.978 6.837 ( -1.898 0.000 -5.281) 5.612 6.874 ( -2.662 0.000 1.822) 3.226 6.942 ( 5.769 0.000 3.837) 6.929 7.023 ( -1.636 0.000 -0.472) 1.703 7.095 ( -2.284 0.000 1.706) 2.851 7.195 ( -0.774 0.000 3.684) 3.764 7.272 ( 1.373 0.000 5.933) 6.090 7.299 ( 0.506 0.000 4.152) 4.182 7.399 ( -1.204 0.000 0.182) 1.217 7.448 ( 2.274 0.000 -7.250) 7.599 7.514 ( 0.753 0.000 3.926) 3.997 7.563 ( -11.438 0.000 -7.247) 13.540 7.704 ( -5.000 0.000 -8.773) 10.098 7.866 ( -1.910 0.000 2.189) 2.905 7.887 ( 5.246 0.000 -0.083) 5.247 7.923 ( 0.495 0.000 1.276) 1.368 8.029 ( 4.507 0.000 2.599) 5.202 8.183 ( -2.565 0.000 2.242) 3.406 8.245 ( -2.233 0.000 -6.148) 6.541 8.258 ( -8.064 0.000 -7.056) 10.715 8.518 ( -3.634 0.000 -3.281) 4.896 8.559 ( 1.201 0.000 -0.906) 1.504 8.584 ( -3.071 0.000 -0.516) 3.114 8.718 ( 0.713 0.000 -2.134) 2.250 8.732 ( -1.515 0.000 0.896) 1.760 8.863 ( -4.186 0.000 -2.135) 4.699 8.864 ( 0.830 0.000 1.325) 1.563 9.007 ( 6.812 0.000 -2.580) 7.284 9.229 ( 2.947 0.000 9.317) 9.772 9.246 ( -0.301 0.000 -1.271) 1.307 9.330 ( -2.918 0.000 -3.489) 4.549 9.393 ( -0.440 0.000 5.035) 5.054 9.532 ( 0.795 0.000 -4.140) 4.215 9.621 ( 0.849 0.000 5.444) 5.510 9.622 ( -0.259 0.000 -1.829) 1.847 9.653 ( -0.063 0.000 -2.385) 2.386 9.776 ( 1.846 0.000 -13.660) 13.784 9.836 ( 1.530 0.000 -4.944) 5.176 9.946 ( 2.045 0.000 1.465) 2.515 10.036 ( -8.187 0.000 1.580) 8.338 10.376 ( -4.355 0.000 3.479) 5.574 10.419 ( 8.730 0.000 -3.499) 9.406 10.481 ( -0.972 0.000 4.862) 4.958 10.540 ( 0.860 0.000 -0.678) 1.095 10.602 ( -0.155 0.000 4.059) 4.062 10.721 ( -1.656 0.000 -6.133) 6.352 10.746 ( 0.401 0.000 0.038) 0.403 10.895 ( 7.067 0.000 8.327) 10.922 10.927 ( -2.023 0.000 12.626) 12.787 11.131 ( 0.589 0.000 -5.942) 5.971 11.143 ( -0.389 0.000 -5.106) 5.121 11.290 ( 5.136 0.000 9.458) 10.763 11.309 ( -2.078 0.000 6.302) 6.635 11.375 ( 1.599 0.000 5.554) 5.780 11.426 ( -2.836 0.000 -5.085) 5.823 11.495 ( 7.303 0.000 2.953) 7.878 11.510 ( 0.359 0.000 -1.113) 1.169 11.565 ( 9.427 0.000 -3.045) 9.906 11.729 ( -3.226 0.000 -1.892) 3.740 11.788 ( -0.154 0.000 7.633) 7.635 11.814 ( 0.544 0.000 0.219) 0.586 11.852 ( -7.223 0.000 0.953) 7.285 12.020 ( -6.094 0.000 5.763) 8.388 12.069 ( -2.448 0.000 4.629) 5.237 12.118 ( 0.313 0.000 0.549) 0.632 12.214 ( -0.619 0.000 -2.428) 2.506 12.325 ( -0.353 0.000 0.147) 0.382 12.411 ( -2.019 0.000 -3.661) 4.181 12.458 ( 1.203 0.000 0.802) 1.446 12.538 ( 3.610 0.000 2.653) 4.480 12.598 ( 3.474 0.000 -3.670) 5.053 12.632 ( -0.541 0.000 4.399) 4.432 12.748 ( -8.719 0.000 1.658) 8.875 12.871 ( 1.791 0.000 -1.738) 2.495 13.041 ( -6.783 0.000 -2.768) 7.326 13.160 ( 0.033 0.000 -0.474) 0.475 13.217 ( 5.744 0.000 -0.358) 5.755 13.347 ( -2.771 0.000 6.475) 7.043 13.367 ( -2.344 0.000 0.922) 2.519 13.385 ( 7.872 0.000 -1.530) 8.020 13.491 ( 4.937 0.000 -1.725) 5.229 13.538 ( -0.660 0.000 -0.879) 1.100 13.614 ( -2.024 0.000 -7.738) 7.998 14.053 ( -3.845 0.000 -5.654) 6.838 14.096 ( -3.614 0.000 -3.812) 5.253 14.099 ( 1.346 0.000 -2.104) 2.498 14.239 ( 1.299 0.000 3.443) 3.680 14.265 ( -1.620 0.000 0.135) 1.626 14.375 ( 1.136 0.000 -4.433) 4.576 14.484 ( 3.177 0.000 10.443) 10.915 14.549 ( 5.485 0.000 -0.979) 5.572 14.630 ( 3.112 0.000 -4.656) 5.600 14.767 ( -6.276 0.000 -5.294) 8.210 14.782 ( -2.686 0.000 -0.765) 2.792 14.931 ( -1.682 0.000 2.525) 3.034 15.004 ( 0.432 0.000 -3.912) 3.936 15.011 ( -0.717 0.000 1.190) 1.389 15.158 ( 0.981 0.000 -0.466) 1.086 15.408 ( 2.007 0.000 -0.126) 2.011 15.411 ( 4.608 0.000 3.595) 5.844 15.467 ( 0.625 0.000 1.990) 2.085 15.508 ( -1.258 0.000 -0.405) 1.322 15.560 ( -2.776 0.000 2.401) 3.671 15.608 ( -1.643 0.000 1.367) 2.137 15.774 ( -0.846 0.000 2.355) 2.502 15.890 ( 1.447 0.000 -0.299) 1.478 15.975 ( 5.307 0.000 5.829) 7.883 16.053 ( -1.111 0.000 -1.850) 2.157 16.067 ( -0.371 0.000 -0.182) 0.413 16.170 ( -0.866 0.000 1.922) 2.108 16.304 ( -3.838 0.000 -8.688) 9.498 16.373 ( 0.754 0.000 3.331) 3.415 16.509 ( -0.895 0.000 -3.492) 3.605 16.546 ( 2.092 0.000 -0.841) 2.254 16.606 ( 2.692 0.000 2.183) 3.466 17.425 ( 0.515 0.000 -2.369) 2.424 17.542 ( -2.406 0.000 -3.200) 4.003 17.701 ( 2.630 0.000 1.759) 3.164 18.097 ( 4.652 0.000 3.940) 6.096 18.185 ( -0.573 0.000 -1.001) 1.153 18.336 ( 0.319 0.000 -1.588) 1.620 18.508 ( -1.129 0.000 -1.429) 1.821 18.949 ( -1.306 0.000 2.432) 2.760 19.197 ( -0.496 0.000 -2.352) 2.403 19.517 ( -1.242 0.000 -3.805) 4.003 19.564 ( 0.603 0.000 -1.990) 2.079 19.845 ( -1.312 0.000 0.354) 1.359 20.040 ( 0.966 0.000 1.171) 1.518 20.400 ( 0.046 0.000 1.568) 1.569 20.578 ( -2.644 0.000 -2.119) 3.389 20.982 ( 0.308 0.000 -1.246) 1.283 21.058 ( 0.518 0.000 2.503) 2.556 21.183 ( -1.075 0.000 1.017) 1.480 21.214 ( 0.633 0.000 -1.781) 1.890 21.257 ( -2.735 0.000 -5.720) 6.340 21.633 ( 0.459 0.000 -0.775) 0.901 21.836 ( -0.217 0.000 0.081) 0.232 22.139 ( -0.682 0.000 1.422) 1.577 22.243 ( -1.551 0.000 1.675) 2.283 22.491 ( 0.123 0.000 1.560) 1.565 22.657 ( 7.591 0.000 2.226) 7.911 22.819 ( -5.555 0.000 -3.621) 6.631 23.349 ( 1.449 0.000 -0.691) 1.606 24.143 ( 1.773 0.000 0.955) 2.014 24.434 ( -2.707 0.000 -2.199) 3.487 24.508 ( 4.003 0.000 3.754) 5.488 24.662 ( -5.869 0.000 -6.029) 8.414 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 33.451 0.000) 33.451 0.689 ( 0.000 37.476 0.000) 37.476 1.212 ( 0.000 64.204 0.000) 64.204 1.546 ( 0.000 -14.648 0.000) 14.648 1.798 ( 0.000 -22.454 0.000) 22.454 2.025 ( 0.000 -0.276 0.000) 0.276 2.051 ( 0.000 -2.336 0.000) 2.336 2.296 ( 0.000 -1.205 0.000) 1.205 2.313 ( 0.000 4.573 0.000) 4.573 2.432 ( 0.000 -3.270 0.000) 3.270 2.443 ( 0.000 5.440 0.000) 5.440 2.660 ( 0.000 0.477 0.000) 0.477 2.680 ( 0.000 1.287 0.000) 1.287 2.686 ( 0.000 -0.279 0.000) 0.279 2.750 ( 0.000 -3.037 0.000) 3.037 2.866 ( 0.000 3.821 0.000) 3.821 2.945 ( 0.000 -12.870 0.000) 12.870 3.037 ( 0.000 10.976 0.000) 10.976 3.141 ( 0.000 -5.050 0.000) 5.050 3.333 ( 0.000 0.089 0.000) 0.089 3.356 ( 0.000 -0.163 0.000) 0.163 3.561 ( 0.000 -1.323 0.000) 1.323 3.570 ( 0.000 2.830 0.000) 2.830 3.762 ( 0.000 -3.451 0.000) 3.451 3.776 ( 0.000 -6.350 0.000) 6.350 3.884 ( 0.000 1.576 0.000) 1.576 3.936 ( 0.000 -9.061 0.000) 9.061 4.002 ( 0.000 -1.997 0.000) 1.997 4.040 ( 0.000 4.242 0.000) 4.242 4.125 ( 0.000 3.794 0.000) 3.794 4.227 ( 0.000 -30.757 0.000) 30.757 4.305 ( 0.000 -5.757 0.000) 5.757 4.479 ( 0.000 -1.230 0.000) 1.230 4.552 ( 0.000 -1.974 0.000) 1.974 4.853 ( 0.000 10.801 0.000) 10.801 5.149 ( 0.000 -6.331 0.000) 6.331 5.255 ( 0.000 5.133 0.000) 5.133 5.342 ( 0.000 -1.224 0.000) 1.224 5.402 ( 0.000 -4.681 0.000) 4.681 5.479 ( 0.000 -6.957 0.000) 6.957 5.514 ( 0.000 8.165 0.000) 8.165 5.518 ( 0.000 5.670 0.000) 5.670 5.751 ( 0.000 -2.575 0.000) 2.575 5.796 ( 0.000 3.461 0.000) 3.461 5.919 ( 0.000 7.539 0.000) 7.539 5.988 ( 0.000 1.321 0.000) 1.321 6.043 ( 0.000 -4.527 0.000) 4.527 6.077 ( 0.000 -5.347 0.000) 5.347 6.273 ( 0.000 0.844 0.000) 0.844 6.317 ( 0.000 1.177 0.000) 1.177 6.416 ( 0.000 10.512 0.000) 10.512 6.462 ( 0.000 20.843 0.000) 20.843 6.607 ( 0.000 2.482 0.000) 2.482 6.717 ( 0.000 -4.188 0.000) 4.188 6.896 ( 0.000 2.818 0.000) 2.818 6.914 ( 0.000 -4.311 0.000) 4.311 7.041 ( 0.000 -3.188 0.000) 3.188 7.123 ( 0.000 6.947 0.000) 6.947 7.139 ( 0.000 -2.797 0.000) 2.797 7.239 ( 0.000 1.735 0.000) 1.735 7.267 ( 0.000 0.945 0.000) 0.945 7.311 ( 0.000 1.171 0.000) 1.171 7.329 ( 0.000 1.522 0.000) 1.522 7.370 ( 0.000 4.891 0.000) 4.891 7.448 ( 0.000 -4.754 0.000) 4.754 7.476 ( 0.000 -1.822 0.000) 1.822 7.530 ( 0.000 -4.543 0.000) 4.543 7.606 ( 0.000 -2.401 0.000) 2.401 7.658 ( 0.000 -2.856 0.000) 2.856 7.796 ( 0.000 -3.237 0.000) 3.237 8.005 ( 0.000 -4.536 0.000) 4.536 8.021 ( 0.000 -7.559 0.000) 7.559 8.164 ( 0.000 -3.254 0.000) 3.254 8.355 ( 0.000 0.703 0.000) 0.703 8.360 ( 0.000 -7.185 0.000) 7.185 8.405 ( 0.000 2.862 0.000) 2.862 8.450 ( 0.000 1.091 0.000) 1.091 8.516 ( 0.000 -4.143 0.000) 4.143 8.531 ( 0.000 10.157 0.000) 10.157 8.625 ( 0.000 3.157 0.000) 3.157 8.735 ( 0.000 2.097 0.000) 2.097 8.778 ( 0.000 -2.136 0.000) 2.136 8.894 ( 0.000 4.966 0.000) 4.966 8.906 ( 0.000 1.575 0.000) 1.575 8.949 ( 0.000 6.361 0.000) 6.361 8.950 ( 0.000 0.155 0.000) 0.155 9.078 ( 0.000 6.215 0.000) 6.215 9.177 ( 0.000 -6.414 0.000) 6.414 9.303 ( 0.000 -9.595 0.000) 9.595 9.333 ( 0.000 -4.580 0.000) 4.580 9.432 ( 0.000 1.922 0.000) 1.922 9.444 ( 0.000 0.189 0.000) 0.189 9.744 ( 0.000 0.747 0.000) 0.747 9.838 ( 0.000 -1.763 0.000) 1.763 9.854 ( 0.000 3.865 0.000) 3.865 9.979 ( 0.000 -2.096 0.000) 2.096 9.990 ( 0.000 8.703 0.000) 8.703 10.252 ( 0.000 -1.060 0.000) 1.060 10.265 ( 0.000 -2.857 0.000) 2.857 10.297 ( 0.000 -1.675 0.000) 1.675 10.385 ( 0.000 -1.053 0.000) 1.053 10.445 ( 0.000 -3.109 0.000) 3.109 10.532 ( 0.000 6.252 0.000) 6.252 10.613 ( 0.000 4.172 0.000) 4.172 10.777 ( 0.000 1.960 0.000) 1.960 10.784 ( 0.000 1.600 0.000) 1.600 10.821 ( 0.000 0.977 0.000) 0.977 10.891 ( 0.000 -3.610 0.000) 3.610 11.082 ( 0.000 0.927 0.000) 0.927 11.122 ( 0.000 -0.271 0.000) 0.271 11.133 ( 0.000 1.282 0.000) 1.282 11.237 ( 0.000 -4.594 0.000) 4.594 11.365 ( 0.000 2.646 0.000) 2.646 11.443 ( 0.000 -0.079 0.000) 0.079 11.575 ( 0.000 -2.472 0.000) 2.472 11.599 ( 0.000 5.842 0.000) 5.842 11.688 ( 0.000 -6.557 0.000) 6.557 11.737 ( 0.000 4.899 0.000) 4.899 11.922 ( 0.000 3.295 0.000) 3.295 11.969 ( 0.000 -8.055 0.000) 8.055 12.041 ( 0.000 -4.565 0.000) 4.565 12.148 ( 0.000 0.054 0.000) 0.054 12.158 ( 0.000 -1.245 0.000) 1.245 12.175 ( 0.000 -7.334 0.000) 7.334 12.373 ( 0.000 -1.063 0.000) 1.063 12.383 ( 0.000 -0.464 0.000) 0.464 12.421 ( 0.000 2.449 0.000) 2.449 12.468 ( 0.000 1.258 0.000) 1.258 12.532 ( 0.000 0.231 0.000) 0.231 12.576 ( 0.000 1.662 0.000) 1.662 12.861 ( 0.000 0.215 0.000) 0.215 12.865 ( 0.000 3.110 0.000) 3.110 12.999 ( 0.000 2.533 0.000) 2.533 13.254 ( 0.000 -9.433 0.000) 9.433 13.466 ( 0.000 3.466 0.000) 3.466 13.513 ( 0.000 0.184 0.000) 0.184 13.642 ( 0.000 9.021 0.000) 9.021 13.924 ( 0.000 -1.974 0.000) 1.974 13.933 ( 0.000 0.947 0.000) 0.947 13.993 ( 0.000 -5.799 0.000) 5.799 14.052 ( 0.000 -0.205 0.000) 0.205 14.089 ( 0.000 -2.097 0.000) 2.097 14.226 ( 0.000 2.144 0.000) 2.144 14.359 ( 0.000 -3.173 0.000) 3.173 14.366 ( 0.000 5.546 0.000) 5.546 14.509 ( 0.000 -3.444 0.000) 3.444 14.580 ( 0.000 -0.035 0.000) 0.035 14.615 ( 0.000 -1.035 0.000) 1.035 14.677 ( 0.000 2.722 0.000) 2.722 14.828 ( 0.000 6.887 0.000) 6.887 14.836 ( 0.000 2.553 0.000) 2.553 14.963 ( 0.000 2.561 0.000) 2.561 14.992 ( 0.000 -4.520 0.000) 4.520 15.095 ( 0.000 -0.038 0.000) 0.038 15.193 ( 0.000 -2.177 0.000) 2.177 15.246 ( 0.000 -4.436 0.000) 4.436 15.349 ( 0.000 1.961 0.000) 1.961 15.463 ( 0.000 7.497 0.000) 7.497 15.480 ( 0.000 -2.708 0.000) 2.708 15.596 ( 0.000 0.711 0.000) 0.711 15.744 ( 0.000 -5.374 0.000) 5.374 15.747 ( 0.000 -0.001 0.000) 0.001 15.800 ( 0.000 1.634 0.000) 1.634 15.876 ( 0.000 4.497 0.000) 4.497 16.013 ( 0.000 -0.691 0.000) 0.691 16.034 ( 0.000 -5.944 0.000) 5.944 16.321 ( 0.000 2.480 0.000) 2.480 16.330 ( 0.000 0.701 0.000) 0.701 16.394 ( 0.000 0.237 0.000) 0.237 16.470 ( 0.000 -5.236 0.000) 5.236 16.784 ( 0.000 2.100 0.000) 2.100 16.809 ( 0.000 0.223 0.000) 0.223 17.491 ( 0.000 -0.697 0.000) 0.697 17.509 ( 0.000 -2.457 0.000) 2.457 17.665 ( 0.000 4.031 0.000) 4.031 17.720 ( 0.000 0.933 0.000) 0.933 18.119 ( 0.000 3.785 0.000) 3.785 18.425 ( 0.000 -12.095 0.000) 12.095 18.828 ( 0.000 8.608 0.000) 8.608 18.994 ( 0.000 -1.279 0.000) 1.279 19.090 ( 0.000 2.409 0.000) 2.409 19.243 ( 0.000 -4.490 0.000) 4.490 19.746 ( 0.000 -0.268 0.000) 0.268 19.751 ( 0.000 0.010 0.000) 0.010 19.897 ( 0.000 2.965 0.000) 2.965 20.032 ( 0.000 -3.574 0.000) 3.574 20.772 ( 0.000 3.067 0.000) 3.067 20.887 ( 0.000 -2.512 0.000) 2.512 21.234 ( 0.000 3.798 0.000) 3.798 21.398 ( 0.000 -4.228 0.000) 4.228 21.487 ( 0.000 0.726 0.000) 0.726 21.495 ( 0.000 0.002 0.000) 0.002 21.642 ( 0.000 2.333 0.000) 2.333 21.755 ( 0.000 -3.778 0.000) 3.778 21.927 ( 0.000 4.198 0.000) 4.198 22.045 ( 0.000 -2.035 0.000) 2.035 22.439 ( 0.000 5.969 0.000) 5.969 22.711 ( 0.000 -6.207 0.000) 6.207 23.299 ( 0.000 1.828 0.000) 1.828 23.387 ( 0.000 -2.098 0.000) 2.098 24.432 ( 0.000 3.857 0.000) 3.857 24.617 ( 0.000 -5.421 0.000) 5.421 24.828 ( 0.000 5.374 0.000) 5.374 24.993 ( 0.000 -2.952 0.000) 2.952 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 14.415 21.974 21.115) 33.712 1.026 ( 17.755 23.569 22.901) 37.352 1.590 ( 12.323 6.741 10.551) 17.567 1.752 ( 23.726 11.275 17.961) 31.822 1.873 ( 5.036 -18.014 5.206) 19.416 2.017 ( -1.721 -1.094 0.760) 2.176 2.060 ( 1.429 1.188 2.591) 3.189 2.253 ( -3.489 1.923 1.191) 4.158 2.303 ( 2.084 3.232 -3.542) 5.228 2.427 ( 1.866 -2.473 -2.134) 3.762 2.490 ( 2.012 2.483 1.365) 3.476 2.578 ( -2.656 -0.157 -4.453) 5.187 2.637 ( -1.243 1.926 -1.639) 2.818 2.744 ( -0.551 -1.352 2.611) 2.991 2.760 ( -1.387 -0.843 4.743) 5.013 2.799 ( -0.773 -2.359 -0.392) 2.513 2.914 ( -2.778 5.050 -0.035) 5.764 3.068 ( 4.295 3.850 2.631) 6.339 3.264 ( 5.954 -0.366 1.463) 6.142 3.340 ( 0.111 -0.127 -2.877) 2.882 3.432 ( 6.578 -4.546 3.352) 8.670 3.527 ( -0.831 -0.526 -2.513) 2.698 3.587 ( 4.862 3.427 -1.497) 6.134 3.604 ( -7.224 -3.935 -5.613) 9.959 3.718 ( -3.728 -5.103 -3.204) 7.085 3.821 ( -3.208 -3.292 4.754) 6.613 3.904 ( -0.743 -0.104 -1.243) 1.452 4.006 ( 1.972 0.972 -6.131) 6.513 4.094 ( 3.613 -8.062 1.712) 8.999 4.237 ( -4.551 -2.692 2.306) 5.768 4.320 ( 4.066 -1.572 12.403) 13.147 4.404 ( 6.912 -18.164 6.229) 20.409 4.521 ( 3.739 -0.283 3.305) 4.998 4.634 ( 5.744 -6.056 2.510) 8.716 4.909 ( 2.509 8.997 3.708) 10.050 5.077 ( -3.716 2.740 -2.768) 5.383 5.183 ( 5.446 -0.931 -2.721) 6.159 5.361 ( 1.065 -3.200 -2.619) 4.270 5.390 ( -0.335 -0.918 -6.286) 6.362 5.434 ( -0.439 -5.795 -0.272) 5.818 5.523 ( -4.487 1.137 -3.653) 5.897 5.574 ( 6.401 -1.531 -0.965) 6.652 5.647 ( 2.770 6.285 0.140) 6.869 5.773 ( 0.518 3.610 -4.185) 5.552 5.815 ( -2.334 6.062 -2.962) 7.139 5.956 ( 0.619 3.695 0.469) 3.776 6.093 ( 4.384 0.396 -0.647) 4.449 6.127 ( -1.000 -9.367 1.360) 9.518 6.159 ( -2.783 6.027 -2.787) 7.200 6.275 ( -7.608 8.671 0.111) 11.536 6.364 ( -3.301 3.696 2.568) 5.582 6.482 ( 2.419 5.716 -4.953) 7.941 6.646 ( -3.282 3.966 4.967) 7.154 6.675 ( -4.304 0.977 2.809) 5.232 6.852 ( -10.426 0.369 4.047) 11.190 6.943 ( 2.752 -1.436 -5.738) 6.524 7.052 ( 1.261 1.233 -4.043) 4.411 7.094 ( -5.200 -2.926 -11.333) 12.808 7.145 ( -0.752 7.407 -0.711) 7.479 7.194 ( -1.517 -0.157 0.898) 1.770 7.229 ( -0.575 3.509 -2.467) 4.328 7.300 ( -4.836 0.721 -1.622) 5.152 7.357 ( -0.702 -1.366 0.167) 1.544 7.405 ( -1.883 -7.105 0.382) 7.361 7.433 ( -2.525 -2.218 -2.602) 4.250 7.466 ( 3.370 -0.940 -3.914) 5.249 7.526 ( -0.136 -1.558 -2.151) 2.659 7.677 ( 0.492 -7.880 2.709) 8.347 7.823 ( 2.846 1.287 2.562) 4.040 7.916 ( 10.078 -5.887 8.669) 14.539 7.977 ( -8.754 -0.209 -8.093) 11.924 8.122 ( 2.272 -6.392 1.422) 6.931 8.189 ( -0.198 3.437 1.691) 3.835 8.240 ( -5.062 -0.431 0.452) 5.100 8.294 ( -9.327 5.572 -3.955) 11.562 8.348 ( -5.827 1.570 2.669) 6.599 8.432 ( 0.694 -2.738 3.712) 4.664 8.500 ( -8.650 -0.758 -6.870) 11.072 8.523 ( 4.282 -1.639 0.580) 4.622 8.622 ( 8.171 -4.238 4.299) 10.159 8.732 ( 1.321 -2.078 -0.875) 2.614 8.749 ( -0.960 -0.288 -9.665) 9.717 8.869 ( -0.962 2.511 0.618) 2.759 8.930 ( 0.878 2.191 -2.390) 3.359 8.975 ( 1.755 -1.399 0.410) 2.281 9.047 ( 2.529 1.638 5.935) 6.656 9.111 ( 6.071 7.332 7.303) 11.998 9.158 ( -5.814 -0.201 -2.287) 6.250 9.212 ( 3.649 -5.918 1.040) 7.030 9.421 ( -2.443 0.877 4.517) 5.209 9.435 ( 2.898 -1.785 2.883) 4.461 9.497 ( 5.515 -8.207 2.549) 10.211 9.734 ( 3.019 4.055 -2.948) 5.852 9.797 ( -1.412 -0.230 0.150) 1.439 9.968 ( 2.578 0.367 7.488) 7.928 9.975 ( 5.262 0.757 -2.771) 5.995 10.139 ( -9.452 7.836 18.400) 22.120 10.245 ( -1.052 2.649 2.648) 3.890 10.352 ( 1.292 1.189 7.806) 8.001 10.389 ( 4.756 -4.259 2.765) 6.957 10.420 ( 2.800 0.385 2.872) 4.029 10.495 ( -0.027 -4.870 6.091) 7.799 10.535 ( -1.495 0.987 1.083) 2.094 10.609 ( 7.177 2.069 1.900) 7.708 10.799 ( 1.977 -0.624 1.197) 2.394 10.820 ( -3.298 -1.544 2.947) 4.684 10.839 ( -2.774 -1.119 0.971) 3.145 10.904 ( -1.772 0.818 9.603) 9.799 10.995 ( -8.000 0.263 -0.389) 8.014 11.040 ( -4.837 -0.719 -4.897) 6.921 11.159 ( -1.067 -1.576 1.339) 2.327 11.187 ( 3.133 -1.211 2.295) 4.068 11.412 ( -5.535 2.469 5.646) 8.283 11.441 ( -4.028 1.436 4.160) 5.965 11.561 ( 4.024 1.060 5.066) 6.556 11.594 ( -2.086 1.033 1.127) 2.586 11.714 ( 5.329 -4.617 -1.996) 7.328 11.806 ( -4.175 -5.360 0.168) 6.797 11.909 ( 0.407 1.318 -0.320) 1.416 11.968 ( -3.221 -2.716 -4.391) 6.086 12.072 ( -0.931 0.455 0.170) 1.050 12.150 ( 3.290 -3.030 -3.043) 5.410 12.183 ( 3.970 -5.128 1.233) 6.601 12.253 ( 10.206 -14.557 -0.373) 17.782 12.368 ( -1.803 2.497 1.976) 3.659 12.391 ( -0.987 1.719 3.260) 3.815 12.428 ( -3.301 -2.786 0.314) 4.331 12.466 ( 2.961 -1.520 1.491) 3.647 12.479 ( -0.375 3.687 -0.539) 3.745 12.662 ( 1.387 -2.642 5.201) 5.996 12.839 ( -1.863 0.866 2.631) 3.338 12.930 ( 3.284 -0.370 3.149) 4.565 13.033 ( 4.708 2.961 -0.882) 5.631 13.279 ( 2.020 -8.795 0.117) 9.024 13.461 ( -9.482 9.231 -4.754) 14.062 13.533 ( 3.725 3.351 4.276) 6.587 13.572 ( 0.967 2.650 5.244) 5.954 13.795 ( -7.889 -9.066 -6.922) 13.869 13.904 ( -1.878 1.498 -2.267) 3.303 13.977 ( -1.712 0.563 -5.124) 5.432 14.017 ( -4.563 -0.077 -3.087) 5.510 14.103 ( 2.028 -2.099 -2.502) 3.844 14.200 ( -2.456 1.941 -4.140) 5.190 14.314 ( -1.228 0.057 -4.831) 4.985 14.383 ( 1.199 0.711 -1.529) 2.069 14.455 ( 3.356 -3.836 -8.449) 9.867 14.568 ( -6.167 3.391 0.398) 7.049 14.576 ( 2.382 0.337 1.441) 2.804 14.679 ( 2.609 1.961 -4.295) 5.394 14.776 ( 0.645 2.351 3.535) 4.293 14.918 ( 2.496 4.976 -4.199) 6.972 14.958 ( 2.285 1.939 -2.111) 3.666 15.015 ( -3.548 0.713 -4.412) 5.706 15.032 ( 2.607 -4.357 1.475) 5.287 15.183 ( -2.700 -5.189 2.670) 6.430 15.230 ( -2.834 -3.785 1.910) 5.100 15.386 ( 2.660 5.236 -4.234) 7.240 15.435 ( -0.160 3.943 1.390) 4.184 15.468 ( 1.035 -0.822 -3.107) 3.376 15.658 ( -2.180 0.384 6.645) 7.004 15.697 ( 1.422 -2.016 -5.536) 6.061 15.738 ( -2.084 2.067 1.543) 3.316 15.819 ( -3.722 1.271 3.872) 5.519 15.873 ( -1.091 6.596 3.554) 7.572 16.003 ( 0.934 -0.208 0.501) 1.080 16.065 ( -0.485 2.219 1.920) 2.974 16.155 ( -7.587 4.164 -2.583) 9.032 16.311 ( -1.466 0.291 -2.692) 3.079 16.350 ( 0.554 0.893 -3.858) 3.999 16.461 ( 1.768 -3.800 2.119) 4.697 16.720 ( -2.774 2.593 -4.462) 5.859 16.792 ( -0.786 -0.893 -3.411) 3.612 17.456 ( 1.952 1.792 -2.458) 3.614 17.522 ( 3.955 -1.818 0.415) 4.372 17.610 ( -0.751 5.298 -0.727) 5.400 17.717 ( 0.250 0.236 -0.887) 0.952 18.228 ( 3.904 -2.214 -0.079) 4.488 18.418 ( 1.082 -10.101 -3.085) 10.616 18.725 ( -3.398 8.876 -2.571) 9.846 18.955 ( -5.856 -2.896 2.443) 6.975 19.246 ( 14.902 0.956 -7.006) 16.494 19.355 ( 8.415 -4.969 2.057) 9.987 19.740 ( -4.005 3.487 -0.080) 5.311 19.773 ( -0.487 0.622 3.277) 3.370 20.022 ( 4.127 -1.547 9.839) 10.781 20.206 ( 9.230 -14.457 5.675) 18.066 20.773 ( -1.574 2.121 2.144) 3.402 20.862 ( -2.043 -2.120 -1.461) 3.286 21.195 ( 1.819 5.572 -7.630) 9.622 21.334 ( -13.753 8.647 4.073) 16.749 21.399 ( 1.502 -2.666 -3.591) 4.718 21.473 ( -0.243 -0.017 -2.656) 2.667 21.643 ( -2.767 4.575 6.552) 8.457 21.826 ( 0.336 -5.288 3.181) 6.180 21.939 ( 4.493 2.640 -1.684) 5.477 22.042 ( 2.544 -1.631 -2.245) 3.765 22.350 ( -2.726 16.355 3.835) 17.018 22.830 ( 3.153 -9.564 0.051) 10.070 23.203 ( -6.920 2.357 -5.866) 9.373 23.353 ( 2.784 -5.944 -7.405) 9.895 24.250 ( -7.484 5.927 -8.935) 13.075 24.399 ( -5.491 -1.147 -4.643) 7.282 24.781 ( -1.797 8.887 1.295) 9.159 25.151 ( 7.383 -11.527 -10.872) 17.481 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 15.852 14.821 21.365) 30.454 1.594 ( 15.371 11.840 24.116) 30.952 1.866 ( 11.361 -5.553 9.554) 15.849 1.996 ( 3.254 -2.655 3.047) 5.189 2.079 ( 4.912 -2.493 4.578) 7.163 2.100 ( 3.906 -4.472 6.547) 8.838 2.182 ( 4.384 4.840 -0.691) 6.567 2.251 ( 2.489 2.773 1.654) 4.076 2.364 ( 6.122 -1.553 0.460) 6.332 2.398 ( 1.487 -3.287 -4.553) 5.809 2.480 ( 0.638 -0.307 -2.243) 2.352 2.577 ( -0.628 1.364 -1.936) 2.450 2.608 ( 6.140 0.147 -1.336) 6.285 2.750 ( -3.858 -2.730 0.558) 4.759 2.772 ( -0.447 0.017 4.464) 4.486 2.876 ( 5.886 -6.828 6.828) 11.309 3.068 ( 3.522 4.495 3.440) 6.667 3.146 ( 2.012 7.661 5.852) 9.848 3.218 ( 1.947 5.286 -4.976) 7.516 3.429 ( -3.639 1.956 -0.707) 4.191 3.437 ( 0.379 -4.156 -1.508) 4.437 3.506 ( -2.181 0.208 0.268) 2.207 3.594 ( 13.973 -1.091 13.100) 19.185 3.617 ( 2.458 -1.013 -1.886) 3.260 3.770 ( 6.353 -8.289 5.087) 11.616 3.882 ( -0.495 -2.477 6.525) 6.997 3.906 ( 4.294 2.998 4.289) 6.769 4.045 ( 3.994 5.457 2.324) 7.151 4.184 ( 8.845 -7.311 -0.444) 11.484 4.204 ( 4.054 5.239 0.078) 6.625 4.432 ( -1.808 -2.604 0.418) 3.197 4.547 ( 5.777 -6.100 2.493) 8.763 4.596 ( -1.526 0.598 0.780) 1.815 4.662 ( 4.556 -5.831 -8.288) 11.111 4.906 ( 0.057 5.845 -8.601) 10.399 5.071 ( -0.950 -2.465 -8.978) 9.359 5.169 ( 2.918 -2.741 -4.809) 6.257 5.301 ( 0.339 -2.426 -0.492) 2.499 5.375 ( -0.338 -8.356 -4.092) 9.311 5.424 ( 0.462 -6.654 4.871) 8.260 5.491 ( 2.511 1.874 1.424) 3.441 5.668 ( 4.824 0.682 2.306) 5.390 5.712 ( -2.803 7.400 -0.109) 7.914 5.792 ( 2.062 3.909 0.682) 4.472 5.869 ( 2.300 -2.416 2.491) 4.163 5.935 ( -0.289 -1.923 4.793) 5.172 6.039 ( -3.864 0.146 -2.665) 4.696 6.083 ( -5.424 2.164 -1.662) 6.071 6.134 ( 0.674 -1.704 0.859) 2.024 6.207 ( 1.378 7.687 5.464) 9.531 6.358 ( -2.711 0.352 1.473) 3.105 6.445 ( 0.309 7.411 -6.298) 9.731 6.600 ( -8.326 3.405 5.136) 10.359 6.686 ( -6.106 -1.284 -5.161) 8.097 6.724 ( -7.425 -1.518 9.445) 12.110 6.780 ( -7.304 2.395 -12.002) 14.253 6.888 ( -3.392 1.068 -1.254) 3.771 6.961 ( -1.872 -1.207 -9.086) 9.355 7.081 ( -2.958 -0.192 -4.996) 5.809 7.108 ( -10.478 -5.008 -4.565) 12.478 7.161 ( -4.268 -2.089 -1.937) 5.132 7.206 ( -2.146 4.541 0.736) 5.076 7.276 ( -6.579 4.070 -7.194) 10.564 7.385 ( -3.848 -1.347 -1.839) 4.473 7.394 ( -0.785 0.037 -1.388) 1.595 7.462 ( -6.303 1.164 1.307) 6.541 7.488 ( 0.900 1.427 -1.584) 2.315 7.576 ( -3.241 2.509 -6.494) 7.680 7.795 ( -1.779 -1.158 -10.559) 10.770 7.830 ( -1.443 -1.218 -10.834) 10.997 7.875 ( 1.294 -5.978 2.852) 6.748 8.009 ( -11.811 -5.491 -11.867) 17.621 8.076 ( -8.034 -1.917 -0.546) 8.277 8.122 ( -12.898 -2.888 -2.596) 13.470 8.321 ( 4.513 2.574 3.778) 6.424 8.339 ( 2.247 1.115 6.801) 7.249 8.463 ( 3.251 0.219 1.845) 3.744 8.514 ( -0.721 3.036 -2.550) 4.029 8.599 ( 4.832 4.541 7.839) 10.267 8.663 ( 4.317 -0.817 -3.231) 5.453 8.726 ( 0.221 -0.292 -2.738) 2.762 8.781 ( 4.010 -0.299 -1.875) 4.436 8.872 ( -4.385 1.826 2.207) 5.237 8.896 ( 4.115 4.479 0.735) 6.127 9.034 ( 6.565 0.162 -1.968) 6.855 9.094 ( -1.232 0.761 1.946) 2.426 9.170 ( 3.247 -3.536 2.255) 5.304 9.277 ( 2.238 -2.499 3.617) 4.933 9.300 ( 3.777 0.412 8.257) 9.089 9.477 ( -2.255 -2.727 1.017) 3.681 9.482 ( 2.604 0.889 3.620) 4.547 9.616 ( 4.833 -7.694 0.760) 9.117 9.666 ( -5.167 6.731 -2.830) 8.944 9.843 ( 1.079 -1.497 3.578) 4.026 9.979 ( 0.884 2.853 -3.232) 4.401 10.107 ( 3.878 -2.670 1.445) 4.925 10.205 ( -2.451 12.719 11.471) 17.302 10.290 ( 5.420 3.156 -2.408) 6.719 10.390 ( 2.384 3.197 -5.068) 6.449 10.450 ( 1.030 -2.870 -2.198) 3.759 10.467 ( -3.733 5.051 6.229) 8.846 10.525 ( -0.809 -5.517 0.965) 5.659 10.614 ( -2.967 -5.877 12.219) 13.880 10.726 ( -2.256 2.144 1.369) 3.400 10.764 ( -4.908 1.750 -0.339) 5.221 10.832 ( 1.829 -5.228 8.121) 9.830 10.875 ( 0.554 -7.105 -1.040) 7.202 10.905 ( 1.758 -2.771 10.829) 11.316 11.010 ( 2.455 3.480 6.402) 7.689 11.089 ( 2.819 2.693 7.255) 8.236 11.160 ( 1.045 2.548 2.438) 3.678 11.285 ( 3.060 -5.331 5.467) 8.226 11.403 ( -1.566 3.145 1.721) 3.912 11.441 ( -5.701 2.243 5.924) 8.522 11.608 ( 1.994 -0.440 0.307) 2.065 11.636 ( -2.293 -2.303 4.429) 5.493 11.718 ( -1.685 -1.229 -0.301) 2.107 11.792 ( 2.462 -0.073 1.160) 2.722 11.871 ( -3.909 -3.803 -1.320) 5.611 11.964 ( 2.875 0.136 4.810) 5.605 12.087 ( -1.071 1.123 2.830) 3.227 12.162 ( -1.131 3.305 2.826) 4.493 12.191 ( 1.519 -2.649 -0.620) 3.116 12.279 ( -3.508 -2.153 -2.308) 4.719 12.360 ( 2.288 -4.066 2.049) 5.096 12.391 ( -6.412 -3.457 3.621) 8.135 12.463 ( 3.385 0.321 -3.380) 4.794 12.482 ( 2.052 -3.371 3.624) 5.358 12.610 ( 5.980 -5.178 5.900) 9.868 12.722 ( -1.704 -6.836 4.377) 8.294 12.889 ( 2.090 3.635 4.733) 6.323 13.023 ( 0.829 -1.230 5.032) 5.246 13.096 ( 8.978 1.875 -4.540) 10.234 13.275 ( -3.851 2.626 -1.610) 4.931 13.288 ( -0.293 -1.419 -7.507) 7.646 13.513 ( -5.647 -6.870 -7.485) 11.624 13.632 ( -4.162 3.345 -2.458) 5.878 13.671 ( -1.549 5.676 -1.800) 6.153 13.750 ( -4.940 2.528 -5.877) 8.082 13.845 ( -7.154 -0.505 -3.047) 7.792 13.999 ( 0.499 1.461 5.171) 5.396 14.074 ( 1.199 5.513 -2.692) 6.251 14.117 ( 5.225 -6.436 -5.098) 9.732 14.237 ( -0.045 -0.232 -5.542) 5.547 14.369 ( 0.920 1.121 -2.844) 3.192 14.421 ( -0.685 1.339 -4.294) 4.550 14.503 ( -0.843 -0.223 0.337) 0.935 14.585 ( -0.454 -0.916 -3.445) 3.593 14.696 ( 1.895 -1.124 -0.200) 2.212 14.740 ( -2.860 -0.766 -6.658) 7.287 14.878 ( -1.951 2.061 -9.293) 9.717 14.951 ( 6.116 0.435 2.458) 6.606 15.004 ( 1.566 5.527 1.770) 6.011 15.102 ( 2.538 -6.621 0.482) 7.108 15.170 ( 0.140 -6.075 -3.063) 6.805 15.217 ( -1.216 0.786 3.268) 3.574 15.338 ( 0.742 2.333 -4.394) 5.030 15.436 ( 0.759 -1.040 -3.230) 3.477 15.483 ( -0.605 2.296 4.024) 4.672 15.630 ( -8.145 6.583 4.077) 11.238 15.670 ( -1.487 0.968 0.332) 1.805 15.727 ( -0.724 3.055 0.688) 3.215 15.809 ( -5.106 -2.059 5.543) 7.813 15.925 ( 2.898 -4.299 1.232) 5.329 16.005 ( -2.962 8.824 1.314) 9.400 16.105 ( 5.939 3.025 2.523) 7.127 16.173 ( 3.235 -3.222 1.028) 4.680 16.251 ( -0.450 1.535 -2.063) 2.610 16.335 ( 0.926 1.906 0.286) 2.138 16.514 ( 2.983 -5.086 -0.866) 5.960 16.612 ( -3.196 2.249 -4.864) 6.239 16.702 ( -3.227 -1.921 -5.754) 6.871 17.505 ( 4.095 1.510 0.764) 4.430 17.575 ( 0.330 2.920 -0.917) 3.079 17.643 ( 5.855 -2.107 1.718) 6.455 17.710 ( 1.774 -0.295 -0.452) 1.854 18.237 ( 0.838 -1.452 -2.639) 3.126 18.369 ( 0.221 -7.893 -5.886) 9.848 18.669 ( -1.750 7.830 -1.019) 8.088 18.908 ( -5.137 -4.297 3.267) 7.452 19.341 ( 9.944 3.888 -8.092) 13.397 19.486 ( 8.137 -4.240 -1.473) 9.292 19.680 ( -2.685 5.706 0.673) 6.342 19.796 ( -2.789 0.260 3.735) 4.669 20.199 ( 3.356 -1.573 7.591) 8.448 20.248 ( -2.012 -4.199 -5.624) 7.302 20.757 ( -3.151 0.999 -0.606) 3.360 20.843 ( 0.378 -5.388 2.200) 5.832 21.134 ( 1.503 5.929 -5.739) 8.387 21.239 ( -6.316 3.912 2.642) 7.886 21.341 ( 0.224 0.083 -6.540) 6.544 21.439 ( -2.199 -2.921 -1.349) 3.897 21.685 ( -0.899 4.230 3.249) 5.409 21.833 ( 0.832 -1.049 -1.398) 1.936 22.026 ( 4.041 -0.356 4.480) 6.044 22.090 ( 2.615 -1.222 3.628) 4.636 22.415 ( 1.272 10.329 4.512) 11.343 22.763 ( -6.812 -5.880 -4.979) 10.284 23.031 ( -2.280 5.233 -6.504) 8.653 23.310 ( 2.879 -6.066 -5.720) 8.821 24.130 ( -0.096 2.401 -3.595) 4.324 24.315 ( -1.674 -6.872 -0.845) 7.124 24.729 ( -4.824 8.005 -1.541) 9.473 25.018 ( -3.742 -6.537 -10.960) 13.299 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.822 8.128 14.008) 19.478 1.974 ( 4.454 1.213 10.952) 11.885 2.069 ( 2.883 1.184 4.303) 5.313 2.144 ( 4.377 -1.896 6.023) 7.683 2.184 ( 3.788 1.589 4.983) 6.458 2.229 ( 6.041 2.592 4.248) 7.827 2.242 ( 2.783 0.594 1.943) 3.446 2.335 ( 5.214 -0.547 -0.042) 5.243 2.358 ( 2.215 -0.816 -4.614) 5.183 2.443 ( 6.242 -0.007 -0.612) 6.272 2.499 ( 0.313 -1.509 1.255) 1.987 2.540 ( 1.055 3.360 -0.097) 3.524 2.657 ( 1.128 -4.076 0.986) 4.343 2.758 ( 0.821 -3.079 3.933) 5.061 2.905 ( 9.793 1.423 2.907) 10.314 3.024 ( 1.441 -0.313 5.990) 6.169 3.098 ( 2.659 0.981 0.646) 2.907 3.189 ( -0.965 3.460 1.155) 3.773 3.219 ( -0.312 6.134 -0.915) 6.210 3.354 ( -2.643 2.123 1.786) 3.831 3.442 ( 2.167 -2.613 3.148) 4.629 3.473 ( 2.468 -3.414 -0.754) 4.279 3.685 ( 4.317 -6.212 2.993) 8.136 3.810 ( 4.606 -2.640 1.367) 5.482 3.916 ( -1.288 -6.751 2.745) 7.401 3.933 ( 4.631 1.343 2.255) 5.323 4.046 ( -1.097 -1.339 2.885) 3.365 4.214 ( 3.718 -4.320 2.068) 6.063 4.301 ( -2.496 2.486 -7.593) 8.371 4.402 ( 5.869 -2.381 -5.612) 8.462 4.498 ( 5.523 0.654 -0.680) 5.603 4.545 ( -0.773 7.533 -5.707) 9.482 4.585 ( 10.427 2.331 10.996) 15.332 4.602 ( 8.570 0.245 -5.264) 10.061 4.788 ( -0.978 2.626 -12.366) 12.680 4.934 ( 11.136 -1.060 5.953) 12.672 5.212 ( -1.192 -2.165 1.082) 2.698 5.279 ( -0.081 -5.100 -5.174) 7.265 5.321 ( 0.187 -4.351 -1.290) 4.542 5.506 ( -2.354 -2.219 3.511) 4.774 5.510 ( 1.167 -0.756 2.125) 2.539 5.629 ( -8.324 0.861 -2.504) 8.735 5.712 ( -1.931 1.778 -2.362) 3.531 5.750 ( 1.487 0.799 -6.318) 6.540 5.793 ( -4.356 -3.302 3.633) 6.563 5.909 ( -4.640 -0.685 3.004) 5.570 5.961 ( -3.230 4.997 -4.481) 7.449 6.035 ( -6.958 0.902 -0.543) 7.037 6.222 ( 0.609 5.334 1.015) 5.464 6.240 ( 2.730 8.470 -1.797) 9.079 6.325 ( -8.300 4.911 -1.126) 9.710 6.485 ( 0.421 -3.332 3.597) 4.921 6.549 ( 1.489 -0.691 0.744) 1.802 6.571 ( 2.668 -3.892 0.044) 4.719 6.695 ( -1.507 1.119 6.394) 6.664 6.758 ( -6.811 -0.954 0.618) 6.905 6.772 ( 2.543 2.474 -3.758) 5.168 6.834 ( -5.820 -3.891 -2.800) 7.540 6.898 ( -10.355 -5.910 -3.718) 12.489 7.018 ( 0.543 0.004 -0.635) 0.835 7.027 ( -7.140 -3.301 -5.113) 9.382 7.145 ( -4.696 4.168 2.108) 6.623 7.204 ( -1.762 0.556 5.632) 5.927 7.248 ( -4.873 0.173 -4.787) 6.833 7.321 ( -5.059 1.032 -2.228) 5.624 7.390 ( -3.802 1.408 2.221) 4.623 7.464 ( 0.848 0.961 0.427) 1.351 7.523 ( -2.992 0.545 0.173) 3.046 7.621 ( -0.698 -0.647 -6.362) 6.433 7.777 ( 3.712 -4.087 -5.735) 7.961 7.834 ( 3.359 -2.267 -5.516) 6.844 7.887 ( -2.493 -4.369 -3.530) 6.145 7.952 ( -5.168 1.638 0.335) 5.432 8.052 ( -0.193 -1.520 5.219) 5.439 8.289 ( -10.039 3.121 -3.220) 10.995 8.379 ( -3.432 1.166 -1.363) 3.873 8.490 ( -2.286 4.587 -3.537) 6.227 8.515 ( 1.657 -0.647 0.878) 1.984 8.609 ( 2.101 -3.713 -4.883) 6.484 8.672 ( -2.693 0.292 3.219) 4.207 8.695 ( -3.781 -0.234 -1.226) 3.982 8.745 ( -2.017 -1.241 -8.432) 8.758 8.848 ( 1.885 7.127 3.616) 8.211 9.002 ( 4.559 4.804 -1.256) 6.741 9.071 ( 0.999 5.213 -1.972) 5.662 9.134 ( 1.861 2.669 2.583) 4.155 9.214 ( 0.727 -7.846 -1.632) 8.047 9.291 ( -1.466 -3.978 -1.115) 4.383 9.383 ( -1.815 -0.395 1.312) 2.274 9.498 ( 2.762 -2.626 4.908) 6.215 9.526 ( -0.114 0.563 -5.160) 5.192 9.562 ( 2.887 -2.889 -1.466) 4.340 9.729 ( 4.510 0.203 3.597) 5.772 9.816 ( -2.133 -1.609 0.378) 2.698 9.915 ( -0.482 2.713 -9.574) 9.962 10.032 ( -0.386 -1.324 -15.362) 15.424 10.273 ( -13.203 2.625 0.512) 13.471 10.335 ( 4.893 5.158 0.151) 7.111 10.364 ( -3.156 1.008 6.759) 7.528 10.390 ( 3.315 3.029 4.567) 6.405 10.531 ( 1.715 -4.862 0.051) 5.156 10.594 ( 4.266 4.792 4.420) 7.791 10.674 ( 0.893 0.490 4.784) 4.891 10.744 ( 0.466 -1.797 2.246) 2.914 10.763 ( -0.973 1.933 7.662) 7.962 10.882 ( 1.007 -1.543 3.101) 3.607 11.019 ( 3.478 -2.625 7.537) 8.706 11.080 ( -2.618 -0.324 11.996) 12.282 11.117 ( 5.722 -2.419 3.688) 7.225 11.223 ( 7.468 1.527 1.730) 7.817 11.287 ( 2.935 -0.195 7.961) 8.487 11.395 ( 2.817 -2.296 0.274) 3.645 11.417 ( -0.411 2.768 2.487) 3.744 11.456 ( 3.731 -0.505 6.217) 7.268 11.598 ( -4.675 -0.641 -1.671) 5.006 11.655 ( -0.438 -1.422 6.139) 6.317 11.707 ( 0.684 2.715 1.275) 3.076 11.847 ( -3.603 -0.718 6.109) 7.128 11.873 ( 1.011 -1.150 3.472) 3.794 12.015 ( -2.035 -2.798 0.850) 3.562 12.076 ( -6.666 4.271 5.310) 9.533 12.140 ( -3.048 0.550 0.650) 3.165 12.219 ( 2.257 -1.153 2.650) 3.667 12.317 ( -3.868 -4.153 2.222) 6.095 12.348 ( 3.957 -0.928 -0.772) 4.137 12.416 ( 2.610 0.147 1.183) 2.869 12.463 ( 2.839 -0.749 -2.401) 3.793 12.526 ( -2.208 -7.538 4.482) 9.044 12.688 ( -1.477 -0.409 -0.346) 1.571 12.768 ( 1.136 -3.187 3.570) 4.919 12.947 ( -1.510 3.434 1.543) 4.056 13.063 ( -2.710 -2.327 5.217) 6.323 13.190 ( 5.886 3.317 -2.397) 7.169 13.218 ( 5.588 -0.128 -3.332) 6.507 13.261 ( 3.542 -1.979 0.793) 4.134 13.320 ( -7.770 3.384 -8.935) 12.315 13.457 ( -1.827 -1.900 -4.150) 4.916 13.509 ( -6.079 0.734 -8.831) 10.746 13.684 ( -3.387 4.298 -7.274) 9.103 13.733 ( 1.422 1.455 -5.954) 6.292 14.079 ( 1.538 -1.313 -1.691) 2.636 14.125 ( 1.257 1.933 6.034) 6.459 14.148 ( -0.150 -1.514 0.286) 1.548 14.229 ( 3.374 -2.321 -0.819) 4.177 14.323 ( -4.915 3.734 0.644) 6.206 14.359 ( 0.354 3.014 -0.792) 3.136 14.463 ( 3.170 1.504 -10.590) 11.156 14.551 ( 1.110 -0.313 -0.700) 1.350 14.627 ( 0.635 -0.151 -2.111) 2.210 14.741 ( 1.963 -6.830 -5.727) 9.127 14.785 ( -0.337 1.003 2.012) 2.273 14.985 ( -4.155 -4.963 -4.609) 7.946 15.004 ( -1.392 -2.510 -1.435) 3.210 15.046 ( -2.548 0.419 -2.122) 3.342 15.191 ( 0.722 0.121 0.784) 1.073 15.281 ( 5.569 1.372 2.833) 6.397 15.334 ( 1.863 -2.042 -0.002) 2.764 15.437 ( 3.497 -0.936 -1.221) 3.820 15.503 ( -1.732 2.142 2.170) 3.507 15.582 ( -4.076 5.466 3.586) 7.703 15.645 ( -4.343 2.800 3.601) 6.299 15.747 ( -1.423 -2.792 2.642) 4.099 15.831 ( 0.951 0.698 5.347) 5.476 15.975 ( 1.771 -5.995 0.882) 6.313 16.023 ( 0.219 10.478 3.122) 10.936 16.140 ( -0.497 2.940 -2.444) 3.855 16.193 ( 2.359 1.169 -1.327) 2.948 16.295 ( 1.371 -2.659 3.586) 4.670 16.391 ( 3.006 1.246 -0.700) 3.328 16.508 ( 2.177 -3.030 -4.391) 5.762 16.532 ( -1.094 -0.604 -2.560) 2.848 16.584 ( -2.630 -1.422 -3.553) 4.644 17.496 ( -0.306 2.265 -4.820) 5.334 17.589 ( -0.380 -1.496 -2.906) 3.291 17.686 ( 4.264 4.744 2.294) 6.779 17.868 ( 8.834 -4.024 6.708) 11.800 18.206 ( -0.298 -0.958 -2.445) 2.643 18.300 ( 0.098 -5.874 -4.637) 7.484 18.634 ( -1.542 7.308 -0.969) 7.532 18.885 ( -3.561 -5.422 3.338) 7.295 19.322 ( 1.432 6.399 -7.073) 9.645 19.538 ( 4.158 -3.557 -4.342) 6.985 19.675 ( -0.160 5.892 -1.696) 6.133 19.807 ( -0.856 -1.398 3.983) 4.307 20.096 ( -4.966 2.264 -5.094) 7.466 20.298 ( -0.335 -5.401 2.873) 6.126 20.691 ( -2.996 2.512 -1.671) 4.252 20.883 ( 1.359 -7.677 0.895) 7.848 21.084 ( -0.241 3.314 -3.378) 4.738 21.198 ( -2.113 -0.412 0.393) 2.188 21.268 ( -0.769 1.680 -4.027) 4.431 21.354 ( -4.049 -2.949 -4.288) 6.594 21.693 ( 0.147 4.753 -0.569) 4.789 21.832 ( 0.340 -1.014 -0.449) 1.160 22.134 ( 1.058 1.856 5.155) 5.581 22.191 ( 1.827 -1.473 6.075) 6.513 22.445 ( -1.798 2.227 0.881) 2.995 22.627 ( -0.779 -1.963 -3.114) 3.763 22.972 ( 0.627 7.916 -3.505) 8.680 23.298 ( 2.610 -4.758 -2.910) 6.158 24.123 ( 1.958 2.040 -0.349) 2.849 24.318 ( 1.240 -8.162 1.126) 8.332 24.622 ( -5.184 6.408 -2.514) 8.617 24.818 ( -6.370 -3.781 -8.057) 10.945 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 3.123 0.983 3.820) 5.031 2.067 ( 0.352 0.327 2.327) 2.376 2.141 ( 1.406 2.143 1.922) 3.203 2.210 ( 0.632 -0.984 1.180) 1.661 2.253 ( 1.084 -0.360 1.344) 1.763 2.288 ( 1.072 0.856 0.818) 1.597 2.336 ( 0.561 3.829 1.270) 4.072 2.365 ( 2.415 -1.279 -0.759) 2.836 2.424 ( 4.719 0.568 1.699) 5.047 2.465 ( 0.686 -3.694 -1.695) 4.122 2.528 ( 1.287 1.908 1.173) 2.583 2.559 ( 0.351 -1.627 -0.448) 1.723 2.737 ( 3.122 2.609 4.632) 6.165 2.834 ( -0.294 4.230 0.865) 4.327 2.914 ( -4.568 -2.036 0.634) 5.042 3.015 ( -2.640 -1.309 -1.400) 3.262 3.201 ( -1.212 7.004 2.581) 7.563 3.241 ( 10.482 3.601 -2.755) 11.421 3.297 ( -1.450 -0.143 6.963) 7.114 3.361 ( 6.075 4.688 3.168) 8.302 3.571 ( 9.247 1.168 1.191) 9.396 3.606 ( 5.616 -6.391 6.430) 10.664 3.767 ( -5.526 -4.250 -1.420) 7.114 3.826 ( 0.561 -7.365 0.892) 7.440 3.868 ( -1.660 -1.448 2.252) 3.151 4.030 ( 0.297 2.780 -0.535) 2.846 4.048 ( 2.110 -5.141 1.139) 5.673 4.125 ( -1.860 0.667 -6.929) 7.205 4.215 ( -6.205 -0.573 -6.815) 9.235 4.301 ( -1.728 -9.181 -3.894) 10.122 4.464 ( 0.511 1.441 -7.529) 7.682 4.478 ( 0.526 -0.125 3.829) 3.867 4.499 ( -2.298 -0.614 -4.620) 5.196 4.596 ( 5.185 -2.851 -4.656) 7.529 4.933 ( 1.339 9.530 2.068) 9.844 5.153 ( -4.970 -0.983 -1.302) 5.231 5.187 ( 0.903 2.907 -4.289) 5.259 5.311 ( 9.470 -0.966 0.806) 9.553 5.345 ( -3.865 -1.497 6.826) 7.985 5.427 ( -6.571 -1.216 -5.002) 8.347 5.549 ( 2.649 2.418 -1.231) 3.792 5.604 ( 4.072 8.183 8.071) 12.194 5.660 ( -1.394 3.629 -1.014) 4.018 5.704 ( 0.749 6.650 -0.806) 6.741 5.731 ( -2.445 2.160 -2.110) 3.886 5.850 ( -3.996 3.156 -0.475) 5.114 6.003 ( 6.803 -9.439 0.068) 11.635 6.087 ( 3.644 -9.924 11.382) 15.535 6.213 ( 0.546 3.421 -0.766) 3.548 6.304 ( 6.595 5.471 1.366) 8.677 6.372 ( 3.827 -1.695 7.188) 8.318 6.433 ( -4.317 3.697 -5.053) 7.605 6.480 ( -4.291 -2.027 -0.766) 4.807 6.502 ( -4.325 1.156 -0.571) 4.513 6.623 ( -1.367 -3.346 -2.974) 4.681 6.687 ( -4.158 -3.328 -2.897) 6.063 6.722 ( -3.005 -6.051 -0.195) 6.759 6.768 ( -5.764 -9.216 -0.281) 10.873 6.840 ( 0.203 -0.921 -3.646) 3.766 6.930 ( 1.222 -4.256 -2.252) 4.967 7.025 ( -2.843 1.547 -0.491) 3.273 7.103 ( -3.553 0.588 1.094) 3.764 7.241 ( 3.526 4.367 6.755) 8.782 7.281 ( -0.930 3.752 3.562) 5.257 7.330 ( 1.644 1.623 4.094) 4.701 7.406 ( -0.333 1.925 4.875) 5.252 7.472 ( -2.334 0.732 -1.204) 2.726 7.516 ( 2.843 3.240 -3.160) 5.345 7.591 ( -2.112 -1.508 2.845) 3.851 7.695 ( -2.659 -1.407 -7.219) 7.821 7.809 ( -1.909 -2.084 1.663) 3.279 7.865 ( 4.415 -2.648 -3.560) 6.259 7.923 ( -2.000 2.799 -0.875) 3.550 8.099 ( 1.416 3.276 1.917) 4.052 8.145 ( -3.499 -2.376 0.794) 4.303 8.233 ( -5.781 -4.518 -5.952) 9.447 8.341 ( -2.314 8.760 -6.362) 11.071 8.492 ( -3.782 -2.064 -3.851) 5.779 8.575 ( -0.820 0.788 -0.768) 1.372 8.589 ( -0.825 1.225 -0.959) 1.761 8.662 ( -0.079 -4.497 -2.384) 5.090 8.736 ( 0.864 -2.536 2.340) 3.557 8.881 ( -0.596 4.891 -0.080) 4.927 8.992 ( -2.858 11.490 -1.700) 11.962 9.054 ( 4.528 5.354 -1.067) 7.092 9.149 ( -0.819 -5.547 -0.299) 5.616 9.247 ( 2.179 -2.064 2.439) 3.867 9.287 ( -0.915 -3.264 1.456) 3.689 9.355 ( -2.225 -3.342 -2.441) 4.699 9.471 ( 0.223 -4.659 0.639) 4.708 9.554 ( 1.644 -2.859 0.149) 3.302 9.621 ( 1.630 -8.208 2.159) 8.642 9.729 ( 1.228 4.515 -5.024) 6.866 9.787 ( -0.174 3.603 -7.547) 8.365 9.846 ( -1.635 2.469 -5.295) 6.066 9.944 ( 3.410 -2.434 3.534) 5.481 10.079 ( -7.116 6.041 -0.235) 9.338 10.303 ( -1.818 -4.741 -1.038) 5.182 10.481 ( 2.349 2.325 4.724) 5.765 10.531 ( 3.308 2.948 0.875) 4.516 10.565 ( 2.848 3.482 3.240) 5.543 10.621 ( -1.968 4.070 1.242) 4.689 10.697 ( -0.267 -0.525 -4.501) 4.540 10.777 ( 1.154 3.837 0.377) 4.024 10.904 ( 1.449 -1.353 12.022) 12.185 10.987 ( 2.107 3.856 9.191) 10.187 11.055 ( -0.594 -4.653 -3.832) 6.057 11.136 ( -1.812 -1.685 -5.199) 5.758 11.240 ( 2.469 -4.255 8.723) 10.015 11.284 ( -0.342 -3.173 -0.336) 3.209 11.355 ( 1.546 -0.345 2.240) 2.744 11.456 ( 3.364 -5.719 1.199) 6.743 11.497 ( 2.944 1.727 -0.865) 3.521 11.525 ( -0.488 3.694 0.191) 3.731 11.584 ( 5.147 0.514 -0.210) 5.177 11.716 ( 2.609 0.284 3.250) 4.177 11.784 ( -5.488 5.401 2.912) 8.232 11.825 ( 2.338 0.395 2.808) 3.675 11.870 ( -6.353 -0.470 1.131) 6.470 11.982 ( -0.938 -0.805 0.161) 1.246 12.095 ( -3.250 0.880 4.992) 6.021 12.135 ( -0.694 -1.725 5.557) 5.860 12.229 ( -2.469 2.504 -2.846) 4.524 12.266 ( -0.355 -6.698 -0.535) 6.729 12.329 ( 0.092 -2.375 -4.031) 4.679 12.482 ( 1.697 -1.818 -0.031) 2.487 12.515 ( 3.605 -0.344 -0.673) 3.683 12.536 ( -0.463 -6.588 2.284) 6.987 12.672 ( 0.100 5.215 -0.492) 5.239 12.738 ( -4.246 0.893 1.003) 4.453 12.963 ( 2.031 2.894 1.646) 3.900 13.057 ( -4.126 -0.327 -2.400) 4.785 13.147 ( -3.111 2.864 -1.085) 4.365 13.223 ( 5.050 0.492 -0.764) 5.131 13.296 ( -1.031 -3.634 -2.720) 4.655 13.363 ( 0.133 -1.975 7.280) 7.544 13.407 ( 4.309 1.311 1.623) 4.787 13.450 ( 1.488 -1.521 -0.351) 2.157 13.581 ( 1.618 3.251 -5.914) 6.940 13.637 ( -2.536 1.142 -6.433) 7.008 14.034 ( -2.001 -2.297 -1.934) 3.608 14.053 ( -2.583 -1.665 -5.242) 6.077 14.169 ( -1.219 4.212 -3.079) 5.358 14.234 ( 0.506 0.037 3.023) 3.065 14.303 ( -0.280 4.173 0.634) 4.231 14.403 ( 2.233 2.093 -2.708) 4.086 14.482 ( 3.065 1.023 6.252) 7.038 14.570 ( 0.592 2.279 -0.681) 2.451 14.637 ( 3.662 1.468 -1.571) 4.247 14.719 ( 1.224 -5.149 -2.204) 5.733 14.803 ( 0.143 -4.604 -0.044) 4.607 14.842 ( -5.478 -0.575 -1.875) 5.819 14.965 ( -3.790 -6.456 -0.968) 7.549 14.971 ( -1.085 -2.854 -0.804) 3.158 15.204 ( 0.504 3.409 -0.350) 3.464 15.363 ( 1.014 -6.812 0.784) 6.932 15.379 ( 3.715 0.573 -0.003) 3.759 15.465 ( -2.230 -4.145 0.816) 4.777 15.521 ( 3.893 5.143 0.353) 6.459 15.585 ( -0.919 3.834 3.069) 4.996 15.636 ( -2.730 2.329 0.882) 3.695 15.747 ( -0.858 -1.241 1.442) 2.087 15.944 ( 2.073 -1.234 4.922) 5.482 15.991 ( 1.213 -1.194 -1.374) 2.187 16.069 ( 0.320 7.120 2.490) 7.549 16.127 ( 0.542 6.937 2.061) 7.257 16.186 ( -0.374 1.055 -0.092) 1.123 16.305 ( -3.514 0.302 -8.431) 9.139 16.352 ( 0.526 -2.661 2.153) 3.463 16.468 ( 1.374 -5.487 -1.893) 5.965 16.532 ( -0.213 0.051 -1.683) 1.697 16.587 ( 2.210 -1.898 1.581) 3.315 17.441 ( 0.089 1.765 -2.334) 2.928 17.515 ( -1.882 -1.958 -3.021) 4.062 17.790 ( 3.080 7.988 2.202) 8.840 18.048 ( 4.580 -4.953 3.710) 7.699 18.180 ( -0.138 -0.418 -0.746) 0.867 18.261 ( -0.153 -5.458 -1.784) 5.744 18.601 ( -0.960 7.740 -0.800) 7.840 18.881 ( -1.395 -6.692 1.610) 7.023 19.258 ( -0.481 6.547 -2.806) 7.139 19.520 ( 0.583 -4.852 -2.672) 5.570 19.628 ( -1.201 10.355 -1.883) 10.593 19.837 ( -0.158 -0.833 0.715) 1.109 20.034 ( -0.086 -0.049 0.357) 0.370 20.282 ( -1.822 -10.848 -0.711) 11.023 20.643 ( -1.117 5.586 -0.762) 5.747 20.901 ( 0.477 -7.885 0.013) 7.899 21.059 ( 0.013 1.715 -0.379) 1.757 21.182 ( -0.176 -3.045 -0.198) 3.057 21.226 ( -0.561 1.072 -1.000) 1.570 21.247 ( -2.628 0.573 -3.209) 4.187 21.687 ( 0.345 4.931 -0.761) 5.001 21.826 ( -0.524 -1.551 0.049) 1.638 22.187 ( 0.204 4.301 2.166) 4.820 22.244 ( -1.009 0.047 1.781) 2.047 22.445 ( 0.505 -1.077 0.767) 1.415 22.642 ( 2.618 -5.002 0.171) 5.648 22.931 ( -1.250 12.078 -1.723) 12.264 23.305 ( 1.202 -5.199 -0.858) 5.405 24.164 ( 1.903 2.489 1.049) 3.304 24.353 ( 0.983 -6.634 0.407) 6.719 24.555 ( -0.428 3.208 0.356) 3.256 24.646 ( -5.228 -1.716 -4.871) 7.349 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -27.097 0.000) 27.097 1.163 ( 0.000 27.097 0.000) 27.097 1.310 ( 0.000 -31.767 0.000) 31.767 1.310 ( 0.000 31.767 0.000) 31.767 2.018 ( 0.000 -2.218 0.000) 2.218 2.018 ( 0.000 2.218 0.000) 2.218 2.128 ( 0.000 -25.720 0.000) 25.720 2.128 ( 0.000 25.720 0.000) 25.720 2.373 ( 0.000 -2.745 0.000) 2.745 2.373 ( 0.000 2.745 0.000) 2.745 2.615 ( 0.000 -16.191 0.000) 16.191 2.615 ( 0.000 16.191 0.000) 16.191 2.681 ( 0.000 -1.455 0.000) 1.455 2.681 ( 0.000 1.455 0.000) 1.455 2.708 ( 0.000 -1.750 0.000) 1.750 2.708 ( 0.000 1.750 0.000) 1.750 2.986 ( 0.000 -9.783 0.000) 9.783 2.986 ( 0.000 9.783 0.000) 9.783 3.277 ( 0.000 -11.882 0.000) 11.882 3.277 ( 0.000 11.882 0.000) 11.882 3.404 ( 0.000 -9.527 0.000) 9.527 3.404 ( 0.000 9.527 0.000) 9.527 3.622 ( 0.000 -4.463 0.000) 4.463 3.622 ( 0.000 4.463 0.000) 4.463 3.737 ( 0.000 -1.595 0.000) 1.595 3.737 ( 0.000 1.595 0.000) 1.595 3.926 ( 0.000 -3.292 0.000) 3.292 3.926 ( 0.000 3.292 0.000) 3.292 4.090 ( 0.000 -1.292 0.000) 1.292 4.090 ( 0.000 1.292 0.000) 1.292 4.206 ( 0.000 -5.100 0.000) 5.100 4.206 ( 0.000 5.100 0.000) 5.100 4.506 ( 0.000 -2.868 0.000) 2.868 4.506 ( 0.000 2.868 0.000) 2.868 5.032 ( 0.000 -7.953 0.000) 7.953 5.032 ( 0.000 7.953 0.000) 7.953 5.298 ( 0.000 -2.276 0.000) 2.276 5.298 ( 0.000 2.276 0.000) 2.276 5.381 ( 0.000 -2.571 0.000) 2.571 5.381 ( 0.000 2.571 0.000) 2.571 5.613 ( 0.000 -2.500 0.000) 2.500 5.613 ( 0.000 2.500 0.000) 2.500 5.773 ( 0.000 -6.972 0.000) 6.972 5.773 ( 0.000 6.972 0.000) 6.972 5.984 ( 0.000 -0.804 0.000) 0.804 5.984 ( 0.000 0.804 0.000) 0.804 6.000 ( 0.000 -0.209 0.000) 0.209 6.000 ( 0.000 0.209 0.000) 0.209 6.281 ( 0.000 -1.468 0.000) 1.468 6.281 ( 0.000 1.468 0.000) 1.468 6.619 ( 0.000 -4.188 0.000) 4.188 6.619 ( 0.000 4.188 0.000) 4.188 6.669 ( 0.000 -3.319 0.000) 3.319 6.669 ( 0.000 3.319 0.000) 3.319 6.907 ( 0.000 -3.152 0.000) 3.152 6.907 ( 0.000 3.152 0.000) 3.152 7.071 ( 0.000 -5.492 0.000) 5.492 7.071 ( 0.000 5.492 0.000) 5.492 7.249 ( 0.000 -5.332 0.000) 5.332 7.249 ( 0.000 5.332 0.000) 5.332 7.294 ( 0.000 -5.602 0.000) 5.602 7.294 ( 0.000 5.602 0.000) 5.602 7.357 ( 0.000 -2.073 0.000) 2.073 7.357 ( 0.000 2.073 0.000) 2.073 7.448 ( 0.000 -2.706 0.000) 2.706 7.448 ( 0.000 2.706 0.000) 2.706 7.507 ( 0.000 -7.189 0.000) 7.189 7.507 ( 0.000 7.189 0.000) 7.189 7.671 ( 0.000 -5.588 0.000) 5.588 7.671 ( 0.000 5.588 0.000) 5.588 7.952 ( 0.000 -0.218 0.000) 0.218 7.952 ( 0.000 0.218 0.000) 0.218 8.208 ( 0.000 -7.658 0.000) 7.658 8.208 ( 0.000 7.658 0.000) 7.658 8.402 ( 0.000 -2.162 0.000) 2.162 8.402 ( 0.000 2.162 0.000) 2.162 8.472 ( 0.000 -1.106 0.000) 1.106 8.472 ( 0.000 1.106 0.000) 1.106 8.662 ( 0.000 -1.194 0.000) 1.194 8.662 ( 0.000 1.194 0.000) 1.194 8.743 ( 0.000 -0.074 0.000) 0.074 8.743 ( 0.000 0.074 0.000) 0.074 8.926 ( 0.000 -1.093 0.000) 1.093 8.926 ( 0.000 1.093 0.000) 1.093 9.035 ( 0.000 -9.005 0.000) 9.005 9.035 ( 0.000 9.005 0.000) 9.005 9.092 ( 0.000 -9.238 0.000) 9.238 9.092 ( 0.000 9.238 0.000) 9.238 9.232 ( 0.000 -6.233 0.000) 6.233 9.232 ( 0.000 6.233 0.000) 6.233 9.452 ( 0.000 -0.288 0.000) 0.288 9.452 ( 0.000 0.288 0.000) 0.288 9.787 ( 0.000 -3.487 0.000) 3.487 9.787 ( 0.000 3.487 0.000) 3.487 9.925 ( 0.000 -3.843 0.000) 3.843 9.925 ( 0.000 3.843 0.000) 3.843 10.141 ( 0.000 -7.900 0.000) 7.900 10.141 ( 0.000 7.900 0.000) 7.900 10.270 ( 0.000 -0.937 0.000) 0.937 10.270 ( 0.000 0.937 0.000) 0.937 10.397 ( 0.000 -2.044 0.000) 2.044 10.397 ( 0.000 2.044 0.000) 2.044 10.630 ( 0.000 -3.035 0.000) 3.035 10.630 ( 0.000 3.035 0.000) 3.035 10.814 ( 0.000 -0.097 0.000) 0.097 10.814 ( 0.000 0.097 0.000) 0.097 10.828 ( 0.000 -1.936 0.000) 1.936 10.828 ( 0.000 1.936 0.000) 1.936 11.128 ( 0.000 -1.016 0.000) 1.016 11.128 ( 0.000 1.016 0.000) 1.016 11.142 ( 0.000 -3.375 0.000) 3.375 11.142 ( 0.000 3.375 0.000) 3.375 11.420 ( 0.000 -2.772 0.000) 2.772 11.420 ( 0.000 2.772 0.000) 2.772 11.585 ( 0.000 -3.750 0.000) 3.750 11.585 ( 0.000 3.750 0.000) 3.750 11.738 ( 0.000 -7.442 0.000) 7.442 11.738 ( 0.000 7.442 0.000) 7.442 11.895 ( 0.000 -3.212 0.000) 3.212 11.895 ( 0.000 3.212 0.000) 3.212 12.055 ( 0.000 -5.247 0.000) 5.247 12.055 ( 0.000 5.247 0.000) 5.247 12.144 ( 0.000 -0.015 0.000) 0.015 12.144 ( 0.000 0.015 0.000) 0.015 12.373 ( 0.000 -0.600 0.000) 0.600 12.373 ( 0.000 0.600 0.000) 0.600 12.457 ( 0.000 -1.482 0.000) 1.482 12.457 ( 0.000 1.482 0.000) 1.482 12.570 ( 0.000 -2.095 0.000) 2.095 12.570 ( 0.000 2.095 0.000) 2.095 12.877 ( 0.000 -0.942 0.000) 0.942 12.877 ( 0.000 0.942 0.000) 0.942 13.096 ( 0.000 -7.723 0.000) 7.723 13.096 ( 0.000 7.723 0.000) 7.723 13.509 ( 0.000 -1.072 0.000) 1.072 13.509 ( 0.000 1.072 0.000) 1.072 13.807 ( 0.000 -9.164 0.000) 9.164 13.807 ( 0.000 9.164 0.000) 9.164 13.949 ( 0.000 -0.772 0.000) 0.772 13.949 ( 0.000 0.772 0.000) 0.772 14.056 ( 0.000 -1.044 0.000) 1.044 14.056 ( 0.000 1.044 0.000) 1.044 14.286 ( 0.000 -4.304 0.000) 4.304 14.286 ( 0.000 4.304 0.000) 4.304 14.450 ( 0.000 -3.743 0.000) 3.743 14.450 ( 0.000 3.743 0.000) 3.743 14.592 ( 0.000 -1.229 0.000) 1.229 14.592 ( 0.000 1.229 0.000) 1.229 14.764 ( 0.000 -6.344 0.000) 6.344 14.764 ( 0.000 6.344 0.000) 6.344 14.930 ( 0.000 -3.491 0.000) 3.491 14.930 ( 0.000 3.491 0.000) 3.491 15.086 ( 0.000 -4.960 0.000) 4.960 15.086 ( 0.000 4.960 0.000) 4.960 15.156 ( 0.000 -2.440 0.000) 2.440 15.156 ( 0.000 2.440 0.000) 2.440 15.405 ( 0.000 -4.499 0.000) 4.499 15.405 ( 0.000 4.499 0.000) 4.499 15.592 ( 0.000 -4.856 0.000) 4.856 15.592 ( 0.000 4.856 0.000) 4.856 15.685 ( 0.000 -2.233 0.000) 2.233 15.685 ( 0.000 2.233 0.000) 2.233 15.908 ( 0.000 -7.279 0.000) 7.279 15.908 ( 0.000 7.279 0.000) 7.279 15.969 ( 0.000 -4.828 0.000) 4.828 15.969 ( 0.000 4.828 0.000) 4.828 16.342 ( 0.000 -0.308 0.000) 0.308 16.342 ( 0.000 0.308 0.000) 0.308 16.404 ( 0.000 -1.434 0.000) 1.434 16.404 ( 0.000 1.434 0.000) 1.434 16.808 ( 0.000 -0.527 0.000) 0.527 16.808 ( 0.000 0.527 0.000) 0.527 17.485 ( 0.000 -0.292 0.000) 0.292 17.485 ( 0.000 0.292 0.000) 0.292 17.717 ( 0.000 -1.600 0.000) 1.600 17.717 ( 0.000 1.600 0.000) 1.600 18.232 ( 0.000 -8.984 0.000) 8.984 18.232 ( 0.000 8.984 0.000) 8.984 18.945 ( 0.000 -4.516 0.000) 4.516 18.945 ( 0.000 4.516 0.000) 4.516 19.155 ( 0.000 -4.761 0.000) 4.761 19.155 ( 0.000 4.761 0.000) 4.761 19.747 ( 0.000 -0.329 0.000) 0.329 19.747 ( 0.000 0.329 0.000) 0.329 19.961 ( 0.000 -4.023 0.000) 4.023 19.961 ( 0.000 4.023 0.000) 4.023 20.833 ( 0.000 -3.432 0.000) 3.432 20.833 ( 0.000 3.432 0.000) 3.432 21.315 ( 0.000 -4.894 0.000) 4.894 21.315 ( 0.000 4.894 0.000) 4.894 21.494 ( 0.000 -0.146 0.000) 0.146 21.494 ( 0.000 0.146 0.000) 0.146 21.692 ( 0.000 -3.206 0.000) 3.206 21.692 ( 0.000 3.206 0.000) 3.206 21.996 ( 0.000 -3.388 0.000) 3.388 21.996 ( 0.000 3.388 0.000) 3.388 22.573 ( 0.000 -8.456 0.000) 8.456 22.573 ( 0.000 8.456 0.000) 8.456 23.342 ( 0.000 -2.745 0.000) 2.745 23.342 ( 0.000 2.745 0.000) 2.745 24.518 ( 0.000 -5.460 0.000) 5.460 24.518 ( 0.000 5.460 0.000) 5.460 24.921 ( 0.000 -4.877 0.000) 4.877 24.921 ( 0.000 4.877 0.000) 4.877 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 9.927 -22.839 11.127) 27.276 1.300 ( 9.927 22.839 11.127) 27.276 1.483 ( 10.076 -24.987 13.405) 30.093 1.483 ( 10.076 24.987 13.405) 30.093 1.997 ( 0.712 -2.115 0.197) 2.241 1.997 ( 0.712 2.115 0.197) 2.241 2.215 ( 3.157 -8.943 3.274) 10.033 2.215 ( 3.157 8.943 3.274) 10.033 2.362 ( 0.805 -3.676 -2.908) 4.756 2.362 ( 0.805 3.676 -2.908) 4.756 2.570 ( -0.852 -2.980 -3.895) 4.977 2.570 ( -0.852 2.980 -3.895) 4.977 2.686 ( 0.389 -4.744 2.439) 5.348 2.686 ( 0.389 4.744 2.439) 5.348 2.766 ( -1.686 -1.270 -0.123) 2.114 2.766 ( -1.686 1.270 -0.123) 2.114 3.046 ( 10.290 -8.590 6.409) 14.858 3.046 ( 10.290 8.590 6.409) 14.858 3.322 ( 0.864 -8.935 1.462) 9.095 3.322 ( 0.864 8.935 1.462) 9.095 3.373 ( 0.439 -2.255 -0.073) 2.299 3.373 ( 0.439 2.255 -0.073) 2.299 3.586 ( -0.834 -2.081 -2.659) 3.479 3.586 ( -0.834 2.081 -2.659) 3.479 3.753 ( -3.163 -5.461 2.194) 6.682 3.753 ( -3.163 5.461 2.194) 6.682 3.910 ( 2.860 -4.563 -4.788) 7.206 3.910 ( 2.860 4.563 -4.788) 7.206 4.079 ( 3.875 -5.375 2.859) 7.217 4.079 ( 3.875 5.375 2.859) 7.217 4.337 ( 2.695 -2.916 6.293) 7.441 4.337 ( 2.695 2.916 6.293) 7.441 4.548 ( 3.245 -3.573 4.262) 6.439 4.548 ( 3.245 3.573 4.262) 6.439 5.039 ( -1.349 -5.232 1.995) 5.760 5.039 ( -1.349 5.232 1.995) 5.760 5.267 ( 4.543 -7.117 -8.270) 11.819 5.267 ( 4.543 7.117 -8.270) 11.819 5.389 ( -4.706 -2.290 3.676) 6.395 5.389 ( -4.706 2.290 3.676) 6.395 5.529 ( 2.189 -2.016 -7.624) 8.184 5.529 ( 2.189 2.016 -7.624) 8.184 5.765 ( 1.119 -4.775 -1.375) 5.093 5.765 ( 1.119 4.775 -1.375) 5.093 5.942 ( -3.407 -7.538 -1.493) 8.406 5.942 ( -3.407 7.538 -1.493) 8.406 6.049 ( 4.766 -3.676 0.523) 6.042 6.049 ( 4.766 3.676 0.523) 6.042 6.265 ( -2.357 -4.314 -0.190) 4.920 6.265 ( -2.357 4.314 -0.190) 4.920 6.457 ( -8.280 -5.468 -2.119) 10.146 6.457 ( -8.280 5.468 -2.119) 10.146 6.743 ( -6.144 -4.345 4.671) 8.857 6.743 ( -6.144 4.345 4.671) 8.857 6.878 ( -0.124 -4.742 -0.777) 4.807 6.878 ( -0.124 4.742 -0.777) 4.807 7.082 ( 1.203 -1.367 -7.868) 8.076 7.082 ( 1.203 1.367 -7.868) 8.076 7.225 ( -7.434 -7.024 -6.419) 12.074 7.225 ( -7.434 7.024 -6.419) 12.074 7.276 ( -2.397 -2.568 4.571) 5.765 7.276 ( -2.397 2.568 4.571) 5.765 7.318 ( -2.595 -2.344 -2.554) 4.331 7.318 ( -2.595 2.344 -2.554) 4.331 7.448 ( 5.707 -2.515 -4.251) 7.547 7.448 ( 5.707 2.515 -4.251) 7.547 7.545 ( 0.002 -6.021 3.499) 6.964 7.545 ( 0.002 6.021 3.499) 6.964 7.822 ( 9.239 -2.467 5.662) 11.113 7.822 ( 9.239 2.467 5.662) 11.113 8.026 ( 1.921 -4.355 -2.150) 5.223 8.026 ( 1.921 4.355 -2.150) 5.223 8.230 ( -2.215 -0.599 0.619) 2.377 8.230 ( -2.215 0.599 0.619) 2.377 8.383 ( -3.723 -0.599 5.763) 6.887 8.383 ( -3.723 0.599 5.763) 6.887 8.418 ( -3.607 -4.909 -4.069) 7.326 8.418 ( -3.607 4.909 -4.069) 7.326 8.547 ( 1.498 -4.003 -1.356) 4.484 8.547 ( 1.498 4.003 -1.356) 4.484 8.731 ( -0.805 -1.459 -4.771) 5.054 8.731 ( -0.805 1.459 -4.771) 5.054 8.940 ( 0.396 -1.894 -1.448) 2.417 8.940 ( 0.396 1.894 -1.448) 2.417 9.007 ( 1.655 -7.257 3.460) 8.208 9.007 ( 1.655 7.257 3.460) 8.208 9.126 ( -0.176 -1.575 -0.046) 1.585 9.126 ( -0.176 1.575 -0.046) 1.585 9.297 ( 3.599 -9.412 5.549) 11.503 9.297 ( 3.599 9.412 5.549) 11.503 9.453 ( -0.727 -1.087 2.593) 2.904 9.453 ( -0.727 1.087 2.593) 2.904 9.782 ( 1.232 -1.684 -0.587) 2.167 9.782 ( 1.232 1.684 -0.587) 2.167 9.971 ( 4.069 -0.573 1.462) 4.362 9.971 ( 4.069 0.573 1.462) 4.362 10.242 ( 4.507 -4.736 6.331) 9.101 10.242 ( 4.507 4.736 6.331) 9.101 10.325 ( -0.389 -1.253 9.043) 9.138 10.325 ( -0.389 1.253 9.043) 9.138 10.447 ( 0.294 -2.327 4.569) 5.136 10.447 ( 0.294 2.327 4.569) 5.136 10.643 ( 1.148 -3.222 -0.135) 3.423 10.643 ( 1.148 3.222 -0.135) 3.423 10.769 ( -1.556 -2.137 -3.588) 4.456 10.769 ( -1.556 2.137 -3.588) 4.456 10.869 ( -2.909 -3.343 7.422) 8.645 10.869 ( -2.909 3.343 7.422) 8.645 11.018 ( -9.090 -2.257 3.843) 10.124 11.018 ( -9.090 2.257 3.843) 10.124 11.162 ( 1.506 -1.809 -1.069) 2.586 11.162 ( 1.506 1.809 -1.069) 2.586 11.450 ( -0.742 -2.667 3.942) 4.817 11.450 ( -0.742 2.667 3.942) 4.817 11.589 ( -5.063 -2.085 3.794) 6.662 11.589 ( -5.063 2.085 3.794) 6.662 11.702 ( 2.442 -4.101 -1.215) 4.925 11.702 ( 2.442 4.101 -1.215) 4.925 11.926 ( -0.072 -2.030 -1.399) 2.466 11.926 ( -0.072 2.030 -1.399) 2.466 12.092 ( 5.768 -2.913 -2.436) 6.906 12.092 ( 5.768 2.913 -2.436) 6.906 12.139 ( 2.198 -1.305 -0.461) 2.597 12.139 ( 2.198 1.305 -0.461) 2.597 12.403 ( 0.355 -0.331 4.021) 4.050 12.403 ( 0.355 0.331 4.021) 4.050 12.427 ( -2.444 -1.349 0.320) 2.809 12.427 ( -2.444 1.349 0.320) 2.809 12.577 ( -1.763 -6.025 1.543) 6.465 12.577 ( -1.763 6.025 1.543) 6.465 12.890 ( 2.008 -3.459 0.972) 4.116 12.890 ( 2.008 3.459 0.972) 4.116 13.127 ( 3.531 -7.416 -0.004) 8.213 13.127 ( 3.531 7.416 -0.004) 8.213 13.571 ( 1.622 -1.225 3.137) 3.738 13.571 ( 1.622 1.225 3.137) 3.738 13.638 ( -8.349 -7.568 -5.146) 12.388 13.638 ( -8.349 7.568 -5.146) 12.388 13.953 ( 0.412 -3.298 -1.492) 3.643 13.953 ( 0.412 3.298 -1.492) 3.643 14.037 ( -2.054 -2.905 -4.895) 6.051 14.037 ( -2.054 2.905 -4.895) 6.051 14.271 ( -0.827 -4.041 -3.418) 5.357 14.271 ( -0.827 4.041 -3.418) 5.357 14.407 ( 0.970 -1.991 -5.463) 5.895 14.407 ( 0.970 1.991 -5.463) 5.895 14.583 ( 0.731 -0.429 -0.312) 0.903 14.583 ( 0.731 0.429 -0.312) 0.903 14.759 ( 1.237 -4.617 -2.652) 5.466 14.759 ( 1.237 4.617 -2.652) 5.466 14.964 ( -0.319 -1.374 0.822) 1.632 14.964 ( -0.319 1.374 0.822) 1.632 15.057 ( -1.546 -7.187 -0.882) 7.404 15.057 ( -1.546 7.187 -0.882) 7.404 15.120 ( -1.557 -7.164 0.907) 7.387 15.120 ( -1.557 7.164 0.907) 7.387 15.439 ( 2.229 -2.182 -2.137) 3.781 15.439 ( 2.229 2.182 -2.137) 3.781 15.568 ( 0.079 -8.550 -1.850) 8.748 15.568 ( 0.079 8.550 -1.850) 8.748 15.705 ( -0.877 -3.354 4.416) 5.615 15.705 ( -0.877 3.354 4.416) 5.615 15.902 ( -3.472 -6.016 0.627) 6.974 15.902 ( -3.472 6.016 0.627) 6.974 16.013 ( 2.559 -6.533 3.951) 8.052 16.013 ( 2.559 6.533 3.951) 8.052 16.271 ( -4.237 -4.884 -2.961) 7.111 16.271 ( -4.237 4.884 -2.961) 7.111 16.394 ( 0.520 -3.420 -1.050) 3.615 16.394 ( 0.520 3.420 -1.050) 3.615 16.765 ( -2.135 -2.168 -3.978) 5.009 16.765 ( -2.135 2.168 -3.978) 5.009 17.487 ( 2.512 -1.896 -0.783) 3.243 17.487 ( 2.512 1.896 -0.783) 3.243 17.693 ( -1.107 -3.247 -0.966) 3.564 17.693 ( -1.107 3.247 -0.966) 3.564 18.263 ( 3.367 -6.088 -1.954) 7.226 18.263 ( 3.367 6.088 -1.954) 7.226 18.868 ( -5.934 -6.734 0.133) 8.976 18.868 ( -5.934 6.734 0.133) 8.976 19.281 ( 12.252 -3.028 -1.606) 12.723 19.281 ( 12.252 3.028 -1.606) 12.723 19.775 ( -2.041 -0.766 4.085) 4.630 19.775 ( -2.041 0.766 4.085) 4.630 20.050 ( 7.384 -4.941 4.278) 9.861 20.050 ( 7.384 4.941 4.278) 9.861 20.819 ( -1.765 -2.656 -0.181) 3.194 20.819 ( -1.765 2.656 -0.181) 3.194 21.292 ( 0.562 -5.494 -4.277) 6.985 21.292 ( 0.562 5.494 -4.277) 6.985 21.451 ( -3.714 -2.743 -1.005) 4.726 21.451 ( -3.714 2.743 -1.005) 4.726 21.727 ( -0.321 -5.109 4.715) 6.960 21.727 ( -0.321 5.109 4.715) 6.960 22.000 ( 2.805 -3.090 -1.874) 4.575 22.000 ( 2.805 3.090 -1.874) 4.575 22.619 ( 1.775 -13.733 2.245) 14.028 22.619 ( 1.775 13.733 2.245) 14.028 23.263 ( -3.855 -4.229 -5.801) 8.149 23.263 ( -3.855 4.229 -5.801) 8.149 24.345 ( -7.881 -4.563 -8.045) 12.151 24.345 ( -7.881 4.563 -8.045) 12.151 24.956 ( 0.889 -10.371 -1.547) 10.523 24.956 ( 0.889 10.371 -1.547) 10.523 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 13.773 -14.255 14.921) 24.810 1.678 ( 13.773 14.255 14.921) 24.810 1.841 ( 10.813 -13.187 15.987) 23.375 1.841 ( 10.813 13.187 15.987) 23.375 2.057 ( 4.722 -0.871 3.042) 5.684 2.057 ( 4.722 0.871 3.042) 5.684 2.267 ( 1.861 -3.099 -0.724) 3.686 2.267 ( 1.861 3.099 -0.724) 3.686 2.348 ( 2.259 -1.588 -1.900) 3.352 2.348 ( 2.259 1.588 -1.900) 3.352 2.529 ( 2.066 -4.656 -2.270) 5.577 2.529 ( 2.066 4.656 -2.270) 5.577 2.669 ( -2.291 -5.294 -2.951) 6.480 2.669 ( -2.291 5.294 -2.951) 6.480 2.792 ( 4.127 -2.518 6.019) 7.720 2.792 ( 4.127 2.518 6.019) 7.720 3.170 ( -0.976 -4.757 0.415) 4.874 3.170 ( -0.976 4.757 0.415) 4.874 3.347 ( 1.044 -7.406 -1.604) 7.650 3.347 ( 1.044 7.406 -1.604) 7.650 3.478 ( -2.841 -2.772 0.472) 3.998 3.478 ( -2.841 2.772 0.472) 3.998 3.573 ( 7.286 -7.144 2.964) 10.626 3.573 ( 7.286 7.144 2.964) 10.626 3.778 ( 3.082 -8.385 5.446) 10.463 3.778 ( 3.082 8.385 5.446) 10.463 4.018 ( 12.214 -9.229 4.330) 15.910 4.018 ( 12.214 9.229 4.330) 15.910 4.193 ( 5.166 -7.767 8.088) 12.346 4.193 ( 5.166 7.767 8.088) 12.346 4.425 ( 4.884 -4.215 0.718) 6.491 4.425 ( 4.884 4.215 0.718) 6.491 4.607 ( 0.985 -1.232 -3.239) 3.603 4.607 ( 0.985 1.232 -3.239) 3.603 5.003 ( -1.561 -4.849 -9.457) 10.742 5.003 ( -1.561 4.849 -9.457) 10.742 5.202 ( 2.749 -5.764 -8.378) 10.534 5.202 ( 2.749 5.764 -8.378) 10.534 5.332 ( -4.397 -2.573 3.596) 6.236 5.332 ( -4.397 2.573 3.596) 6.236 5.601 ( 6.981 -7.047 2.293) 10.181 5.601 ( 6.981 7.047 2.293) 10.181 5.824 ( -4.544 -4.205 -2.334) 6.616 5.824 ( -4.544 4.205 -2.334) 6.616 5.871 ( 0.202 -4.149 5.931) 7.241 5.871 ( 0.202 4.149 5.931) 7.241 6.035 ( -2.148 -2.075 -2.337) 3.792 6.035 ( -2.148 2.075 -2.337) 3.792 6.249 ( 1.091 -4.874 0.596) 5.030 6.249 ( 1.091 4.874 0.596) 5.030 6.390 ( -1.770 -6.221 4.466) 7.860 6.390 ( -1.770 6.221 4.466) 7.860 6.670 ( -11.890 -1.876 6.762) 13.806 6.670 ( -11.890 1.876 6.762) 13.806 6.819 ( -7.800 -2.536 -9.935) 12.883 6.819 ( -7.800 2.536 -9.935) 12.883 6.905 ( -1.813 -6.403 -4.862) 8.242 6.905 ( -1.813 6.403 -4.862) 8.242 7.007 ( -4.113 -1.150 -9.363) 10.291 7.007 ( -4.113 1.150 -9.363) 10.291 7.232 ( -5.939 -3.731 -0.986) 7.083 7.232 ( -5.939 3.731 -0.986) 7.083 7.324 ( -2.673 -4.095 -0.824) 4.959 7.324 ( -2.673 4.095 -0.824) 4.959 7.463 ( 2.620 -3.773 -1.387) 4.798 7.463 ( 2.620 3.773 -1.387) 4.798 7.562 ( -4.197 -5.147 -1.334) 6.774 7.562 ( -4.197 5.147 -1.334) 6.774 7.792 ( -1.682 -1.900 -5.035) 5.638 7.792 ( -1.682 1.900 -5.035) 5.638 7.862 ( -6.363 -6.811 -15.897) 18.428 7.862 ( -6.363 6.811 -15.897) 18.428 8.083 ( -9.708 -1.723 -0.784) 9.891 8.083 ( -9.708 1.723 -0.784) 9.891 8.355 ( 5.820 -0.572 6.316) 8.607 8.355 ( 5.820 0.572 6.316) 8.607 8.488 ( -0.630 -3.089 -0.751) 3.241 8.488 ( -0.630 3.089 -0.751) 3.241 8.670 ( -0.615 -3.717 -2.449) 4.494 8.670 ( -0.615 3.717 -2.449) 4.494 8.743 ( 5.084 -5.537 4.985) 9.020 8.743 ( 5.084 5.537 4.985) 9.020 8.948 ( 4.428 -1.433 0.483) 4.679 8.948 ( 4.428 1.433 0.483) 4.679 9.046 ( 0.690 -6.265 0.121) 6.304 9.046 ( 0.690 6.265 0.121) 6.304 9.165 ( 3.725 -5.759 0.706) 6.895 9.165 ( 3.725 5.759 0.706) 6.895 9.394 ( -0.895 -6.121 5.820) 8.494 9.394 ( -0.895 6.121 5.820) 8.494 9.518 ( 3.572 -3.191 2.872) 5.585 9.518 ( 3.572 3.191 2.872) 5.585 9.775 ( -1.761 -5.375 -1.954) 5.984 9.775 ( -1.761 5.375 -1.954) 5.984 10.048 ( 3.336 -3.935 -0.280) 5.166 10.048 ( 3.336 3.935 -0.280) 5.166 10.360 ( 7.672 -3.842 -5.126) 9.995 10.360 ( 7.672 3.842 -5.126) 9.995 10.417 ( -2.512 -7.034 7.518) 10.597 10.417 ( -2.512 7.034 7.518) 10.597 10.465 ( -4.369 -6.366 3.812) 8.611 10.465 ( -4.369 6.366 3.812) 8.611 10.658 ( -2.442 -10.510 9.541) 14.403 10.658 ( -2.442 10.510 9.541) 14.403 10.768 ( -4.489 -2.327 2.915) 5.837 10.768 ( -4.489 2.327 2.915) 5.837 10.850 ( 1.322 -2.771 4.640) 5.564 10.850 ( 1.322 2.771 4.640) 5.564 11.088 ( 0.518 -4.146 9.472) 10.352 11.088 ( 0.518 4.146 9.472) 10.352 11.202 ( 2.895 -3.513 4.594) 6.467 11.202 ( 2.895 3.513 4.594) 6.467 11.458 ( -3.576 -1.799 1.260) 4.197 11.458 ( -3.576 1.799 1.260) 4.197 11.585 ( -0.633 -0.703 4.001) 4.111 11.585 ( -0.633 0.703 4.001) 4.111 11.743 ( 4.437 -3.902 -2.111) 6.274 11.743 ( 4.437 3.902 -2.111) 6.274 11.908 ( -1.378 -5.856 1.566) 6.216 11.908 ( -1.378 5.856 1.566) 6.216 12.119 ( 0.805 -2.540 1.674) 3.147 12.119 ( 0.805 2.540 1.674) 3.147 12.211 ( 0.994 -1.571 5.587) 5.888 12.211 ( 0.994 1.571 5.587) 5.888 12.355 ( -3.097 -0.911 -1.079) 3.404 12.355 ( -3.097 0.911 -1.079) 3.404 12.478 ( 0.497 -0.803 -0.442) 1.043 12.478 ( 0.497 0.803 -0.442) 1.043 12.602 ( 2.282 -4.948 5.046) 7.426 12.602 ( 2.282 4.948 5.046) 7.426 12.963 ( 3.290 -4.290 2.952) 6.159 12.963 ( 3.290 4.290 2.952) 6.159 13.176 ( 5.781 -6.064 -3.577) 9.109 13.176 ( 5.781 6.064 -3.577) 9.109 13.387 ( -7.473 -6.282 -6.495) 11.726 13.387 ( -7.473 6.282 -6.495) 11.726 13.711 ( 2.283 -3.469 2.071) 4.641 13.711 ( 2.283 3.469 2.071) 4.641 13.806 ( -10.073 -4.255 -9.301) 14.356 13.806 ( -10.073 4.255 -9.301) 14.356 14.012 ( 4.609 -3.003 2.161) 5.910 14.012 ( 4.609 3.003 2.161) 5.910 14.193 ( -1.262 -4.947 -4.115) 6.558 14.193 ( -1.262 4.947 -4.115) 6.558 14.391 ( 3.935 -1.664 -4.525) 6.223 14.391 ( 3.935 1.664 -4.525) 6.223 14.564 ( -2.733 -2.767 -2.114) 4.427 14.564 ( -2.733 2.767 -2.114) 4.427 14.704 ( -1.456 -2.466 -3.878) 4.821 14.704 ( -1.456 2.466 -3.878) 4.821 14.961 ( -2.538 -4.372 -1.384) 5.242 14.961 ( -2.538 4.372 -1.384) 5.242 15.012 ( 2.086 -2.166 -3.020) 4.262 15.012 ( 2.086 2.166 -3.020) 4.262 15.166 ( 2.808 -5.275 2.929) 6.655 15.166 ( 2.808 5.275 2.929) 6.655 15.395 ( -1.111 -3.014 -3.407) 4.683 15.395 ( -1.111 3.014 -3.407) 4.683 15.580 ( 1.855 -7.554 0.541) 7.797 15.580 ( 1.855 7.554 0.541) 7.797 15.741 ( -4.663 -5.665 4.661) 8.693 15.741 ( -4.663 5.665 4.661) 8.693 15.826 ( -4.414 -5.482 1.510) 7.199 15.826 ( -4.414 5.482 1.510) 7.199 16.111 ( 3.499 -3.432 3.444) 5.990 16.111 ( 3.499 3.432 3.444) 5.990 16.215 ( 0.261 -6.034 -1.839) 6.314 16.215 ( 0.261 6.034 -1.839) 6.314 16.408 ( 2.874 -5.974 -0.459) 6.645 16.408 ( 2.874 5.974 -0.459) 6.645 16.658 ( -3.924 -2.779 -5.282) 7.143 16.658 ( -3.924 2.779 -5.282) 7.143 17.552 ( 4.231 -3.373 1.182) 5.538 17.552 ( 4.231 3.373 1.182) 5.538 17.675 ( 1.334 -3.403 -0.893) 3.762 17.675 ( 1.334 3.403 -0.893) 3.762 18.256 ( 1.416 -4.009 -4.248) 6.010 18.256 ( 1.416 4.009 -4.248) 6.010 18.804 ( -4.023 -7.029 1.058) 8.168 18.804 ( -4.023 7.029 1.058) 8.168 19.413 ( 9.862 -4.017 -4.157) 11.431 19.413 ( 9.862 4.017 -4.157) 11.431 19.769 ( -3.741 -3.599 2.690) 5.847 19.769 ( -3.741 3.599 2.690) 5.847 20.192 ( 3.718 -1.443 1.801) 4.376 20.192 ( 3.718 1.443 1.801) 4.376 20.782 ( -2.271 -2.030 -0.175) 3.051 20.782 ( -2.271 2.030 -0.175) 3.051 21.226 ( -0.537 -4.314 -5.896) 7.325 21.226 ( -0.537 4.314 -5.896) 7.325 21.382 ( -3.644 -3.566 -1.249) 5.249 21.382 ( -3.644 3.566 -1.249) 5.249 21.769 ( -0.050 -4.931 2.015) 5.327 21.769 ( -0.050 4.931 2.015) 5.327 22.057 ( 3.486 -2.481 3.723) 5.672 22.057 ( 3.486 2.481 3.723) 5.672 22.611 ( -3.618 -10.629 -1.564) 11.336 22.611 ( -3.618 10.629 -1.564) 11.336 23.167 ( 1.654 -9.027 -5.162) 10.529 23.167 ( 1.654 9.027 -5.162) 10.529 24.202 ( -2.097 -5.474 -2.952) 6.563 24.202 ( -2.097 5.474 -2.952) 6.563 24.879 ( -4.790 -8.485 -4.762) 10.845 24.879 ( -4.790 8.485 -4.762) 10.845 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 4.976 -4.572 7.745) 10.279 1.953 ( 4.976 4.572 7.745) 10.279 2.101 ( 4.589 -2.444 5.273) 7.405 2.101 ( 4.589 2.444 5.273) 7.405 2.229 ( 5.795 -2.480 4.740) 7.887 2.229 ( 5.795 2.480 4.740) 7.887 2.295 ( 5.152 -3.921 1.966) 6.766 2.295 ( 5.152 3.921 1.966) 6.766 2.372 ( 2.277 -3.191 -1.049) 4.058 2.372 ( 2.277 3.191 -1.049) 4.058 2.547 ( 0.568 -4.014 -0.775) 4.127 2.547 ( 0.568 4.014 -0.775) 4.127 2.668 ( 3.867 -5.661 4.562) 8.235 2.668 ( 3.867 5.661 4.562) 8.235 2.971 ( 5.593 -4.437 4.759) 8.579 2.971 ( 5.593 4.437 4.759) 8.579 3.152 ( 0.008 -4.455 1.479) 4.695 3.152 ( 0.008 4.456 1.479) 4.695 3.361 ( 0.737 -5.823 1.743) 6.123 3.361 ( 0.737 5.823 1.743) 6.123 3.420 ( 0.744 -1.734 0.270) 1.906 3.420 ( 0.744 1.734 0.270) 1.906 3.678 ( 5.419 -7.519 0.070) 9.269 3.678 ( 5.419 7.519 0.070) 9.269 3.897 ( 0.285 -3.908 6.142) 7.286 3.897 ( 0.285 3.908 6.142) 7.286 4.112 ( 2.590 -6.291 -1.178) 6.905 4.112 ( 2.590 6.291 -1.178) 6.905 4.354 ( -1.065 -2.541 -7.570) 8.056 4.354 ( -1.065 2.541 -7.570) 8.056 4.532 ( 3.490 -3.344 -4.499) 6.603 4.532 ( 3.490 3.344 -4.499) 6.603 4.636 ( 2.725 -1.408 -4.970) 5.840 4.636 ( 2.725 1.408 -4.970) 5.840 4.873 ( 11.574 -5.726 7.201) 14.785 4.873 ( 11.574 5.726 7.201) 14.785 5.187 ( 2.464 -2.064 -3.664) 4.874 5.187 ( 2.464 2.064 -3.664) 4.874 5.355 ( 1.824 -5.661 4.408) 7.402 5.355 ( 1.824 5.661 4.408) 7.402 5.639 ( -8.966 -4.087 1.148) 9.920 5.639 ( -8.966 4.087 1.148) 9.920 5.700 ( -0.776 -0.675 1.006) 1.438 5.700 ( -0.776 0.675 1.006) 1.438 5.847 ( -2.149 -5.185 -1.714) 5.869 5.847 ( -2.149 5.185 -1.714) 5.869 6.031 ( -2.997 -2.521 -4.533) 5.990 6.031 ( -2.997 2.521 -4.533) 5.990 6.314 ( -1.494 -2.227 5.004) 5.677 6.314 ( -1.494 2.227 5.004) 5.677 6.410 ( -4.894 -4.993 1.113) 7.080 6.410 ( -4.894 4.993 1.113) 7.080 6.537 ( 0.334 -7.311 -3.318) 8.036 6.537 ( 0.334 7.311 -3.318) 8.036 6.720 ( -4.462 -2.139 4.010) 6.369 6.720 ( -4.462 2.139 4.010) 6.369 6.803 ( -7.879 -3.022 -4.651) 9.636 6.803 ( -7.879 3.022 -4.651) 9.636 6.858 ( 0.657 -6.686 -6.254) 9.178 6.858 ( 0.657 6.686 -6.254) 9.178 7.142 ( -2.243 -5.527 1.115) 6.068 7.142 ( -2.243 5.527 1.115) 6.068 7.222 ( -4.703 -3.147 -0.703) 5.702 7.222 ( -4.703 3.147 -0.703) 5.702 7.396 ( -4.862 -3.434 -2.075) 6.304 7.396 ( -4.862 3.434 -2.075) 6.304 7.492 ( -4.269 -3.648 4.059) 6.929 7.492 ( -4.269 3.648 4.059) 6.929 7.668 ( 2.101 -6.386 -7.659) 10.191 7.668 ( 2.101 6.386 -7.659) 10.191 7.828 ( 4.068 -1.702 -3.566) 5.671 7.828 ( 4.068 1.702 -3.566) 5.671 7.997 ( -1.985 -3.284 3.645) 5.292 7.997 ( -1.985 3.284 3.645) 5.292 8.357 ( -10.037 -3.601 -5.277) 11.897 8.357 ( -10.037 3.601 -5.277) 11.897 8.519 ( 6.019 -2.256 1.778) 6.669 8.519 ( 6.019 2.256 1.778) 6.669 8.617 ( -2.840 -4.563 -1.821) 5.675 8.617 ( -2.840 4.563 -1.821) 5.675 8.724 ( -4.410 -1.300 -5.304) 7.019 8.724 ( -4.410 1.300 -5.304) 7.019 9.016 ( 2.724 -9.650 0.405) 10.035 9.016 ( 2.724 9.650 0.405) 10.035 9.100 ( 3.584 -1.979 1.220) 4.272 9.100 ( 3.584 1.979 1.220) 4.272 9.216 ( 2.458 -5.117 -1.284) 5.820 9.216 ( 2.458 5.117 -1.284) 5.820 9.408 ( -2.913 -4.701 2.282) 5.983 9.408 ( -2.913 4.701 2.282) 5.983 9.533 ( 0.782 -0.469 -6.982) 7.041 9.533 ( 0.782 0.469 -6.982) 7.041 9.763 ( 1.261 -3.341 5.184) 6.295 9.763 ( 1.261 3.341 5.184) 6.295 9.986 ( -0.679 -4.127 -11.617) 12.347 9.986 ( -0.679 4.127 -11.617) 12.347 10.326 ( -9.276 -2.847 -0.082) 9.704 10.326 ( -9.276 2.847 -0.082) 9.704 10.422 ( 4.127 -5.647 1.471) 7.147 10.422 ( 4.127 5.647 1.471) 7.147 10.561 ( 2.858 -9.624 8.504) 13.157 10.561 ( 2.858 9.624 8.504) 13.157 10.701 ( -1.400 -1.323 3.346) 3.861 10.701 ( -1.400 1.323 3.346) 3.861 10.830 ( 4.194 -4.287 5.485) 8.127 10.830 ( 4.194 4.287 5.485) 8.127 11.025 ( 2.806 -3.469 11.376) 12.220 11.025 ( 2.806 3.469 11.376) 12.220 11.162 ( -0.791 -5.970 3.725) 7.081 11.162 ( -0.791 5.970 3.725) 7.081 11.326 ( 2.832 -4.513 2.814) 6.026 11.326 ( 2.832 4.513 2.814) 6.026 11.452 ( 3.226 -0.630 2.359) 4.046 11.452 ( 3.226 0.630 2.359) 4.046 11.610 ( -2.809 -2.312 3.756) 5.229 11.610 ( -2.809 2.312 3.756) 5.229 11.801 ( 2.356 -5.519 3.465) 6.929 11.801 ( 2.356 5.519 3.465) 6.929 11.923 ( -0.739 -6.340 3.052) 7.075 11.923 ( -0.739 6.340 3.052) 7.075 12.118 ( -5.058 -1.902 1.769) 5.686 12.118 ( -5.058 1.902 1.769) 5.686 12.244 ( -2.017 -4.651 1.363) 5.250 12.244 ( -2.017 4.651 1.363) 5.250 12.387 ( 1.877 -4.535 3.338) 5.936 12.387 ( 1.877 4.535 3.338) 5.936 12.451 ( 1.941 -0.762 -2.229) 3.053 12.451 ( 1.941 0.762 -2.229) 3.053 12.711 ( 2.977 -2.769 3.849) 5.599 12.711 ( 2.977 2.769 3.849) 5.599 13.006 ( -2.014 -3.470 1.181) 4.182 13.006 ( -2.014 3.470 1.181) 4.182 13.218 ( 5.412 -0.456 -3.295) 6.352 13.218 ( 5.412 0.456 -3.295) 6.352 13.288 ( 0.932 -4.448 -0.397) 4.562 13.288 ( 0.932 4.448 -0.397) 4.562 13.497 ( -8.642 -2.837 -9.585) 13.214 13.497 ( -8.642 2.837 -9.585) 13.214 13.731 ( 0.576 -1.489 -6.450) 6.644 13.731 ( 0.576 1.489 -6.450) 6.644 14.091 ( 0.053 -2.726 -0.745) 2.827 14.091 ( 0.053 2.726 -0.745) 2.827 14.186 ( 1.390 -2.987 3.421) 4.749 14.186 ( 1.390 2.987 3.421) 4.749 14.373 ( -1.456 -1.672 -0.770) 2.347 14.373 ( -1.456 1.672 -0.770) 2.347 14.513 ( 4.807 -3.766 -4.137) 7.376 14.513 ( 4.807 3.766 -4.137) 7.376 14.657 ( -0.566 -2.983 -1.966) 3.617 14.657 ( -0.566 2.983 -1.966) 3.617 14.860 ( -3.516 -7.520 -3.922) 9.181 14.860 ( -3.516 7.520 -3.922) 9.181 15.003 ( -2.768 -2.189 -1.808) 3.965 15.003 ( -2.768 2.189 -1.808) 3.965 15.235 ( 2.621 -3.928 1.416) 4.930 15.235 ( 2.621 3.928 1.416) 4.930 15.380 ( 1.843 -3.744 0.024) 4.173 15.380 ( 1.843 3.744 0.024) 4.173 15.604 ( 0.656 -6.144 -0.708) 6.220 15.604 ( 0.656 6.144 -0.708) 6.220 15.689 ( -4.536 -4.392 3.352) 7.148 15.689 ( -4.536 4.392 3.352) 7.148 15.867 ( 0.375 -4.344 6.319) 7.678 15.867 ( 0.375 4.344 6.319) 7.678 16.171 ( 0.873 -3.426 -0.572) 3.581 16.171 ( 0.873 3.426 -0.572) 3.581 16.222 ( 1.838 -5.393 1.737) 5.956 16.222 ( 1.838 5.393 1.737) 5.956 16.434 ( 1.785 -3.797 -4.294) 6.004 16.434 ( 1.785 3.797 -4.294) 6.004 16.551 ( -1.905 -1.807 -2.187) 3.417 16.551 ( -1.905 1.807 -2.187) 3.417 17.547 ( -0.969 -3.072 -4.356) 5.417 17.547 ( -0.969 3.072 -4.356) 5.417 17.780 ( 7.280 -5.418 5.188) 10.454 17.780 ( 7.280 5.418 5.188) 10.454 18.218 ( 0.417 -2.783 -3.396) 4.411 18.218 ( 0.417 2.783 -3.396) 4.411 18.768 ( -2.774 -7.356 0.973) 7.922 18.768 ( -2.774 7.356 0.973) 7.922 19.447 ( 3.017 -6.586 -5.764) 9.257 19.447 ( 3.017 6.586 -5.764) 9.257 19.764 ( -0.408 -3.604 2.080) 4.181 19.764 ( -0.408 3.604 2.080) 4.181 20.180 ( -3.266 -6.802 -2.762) 8.036 20.180 ( -3.266 6.802 -2.762) 8.036 20.762 ( -0.497 -5.550 0.090) 5.573 20.762 ( -0.497 5.550 0.090) 5.573 21.150 ( -0.899 -3.899 -3.869) 5.566 21.150 ( -0.899 3.899 -3.869) 5.566 21.309 ( -3.312 -2.541 -2.136) 4.689 21.309 ( -3.312 2.541 -2.136) 4.689 21.780 ( 0.138 -4.463 -0.222) 4.471 21.780 ( 0.138 4.463 -0.222) 4.471 22.166 ( 1.453 -1.512 6.423) 6.756 22.166 ( 1.453 1.512 6.423) 6.756 22.532 ( -1.477 -6.783 -2.570) 7.402 22.532 ( -1.477 6.783 -2.570) 7.402 23.158 ( 2.586 -10.599 -2.842) 11.274 23.158 ( 2.586 10.599 -2.842) 11.274 24.189 ( 1.708 -5.655 0.517) 5.930 24.189 ( 1.708 5.655 0.517) 5.930 24.731 ( -6.197 -5.675 -4.751) 9.652 24.731 ( -6.197 5.675 -4.751) 9.652 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.403 -0.848 2.277) 2.806 2.059 ( 1.403 0.848 2.277) 2.806 2.185 ( 1.540 -1.904 1.628) 2.940 2.185 ( 1.540 1.904 1.628) 2.940 2.273 ( 0.791 -1.931 -0.051) 2.087 2.273 ( 0.791 1.931 -0.051) 2.087 2.382 ( 0.927 -2.720 -0.301) 2.890 2.382 ( 0.927 2.720 -0.301) 2.890 2.421 ( 3.674 -2.028 2.000) 4.648 2.421 ( 3.674 2.028 2.000) 4.648 2.532 ( -0.115 -1.895 -1.222) 2.258 2.532 ( -0.115 1.895 -1.222) 2.258 2.824 ( 3.447 -5.308 6.440) 9.029 2.824 ( 3.447 5.308 6.440) 9.029 2.943 ( -4.696 -5.091 -2.213) 7.271 2.943 ( -4.696 5.091 -2.213) 7.271 3.252 ( 2.163 -1.740 2.684) 3.862 3.252 ( 2.163 1.740 2.684) 3.862 3.447 ( 7.170 -2.789 3.990) 8.667 3.447 ( 7.170 2.789 3.990) 8.667 3.504 ( 4.220 -7.460 1.688) 8.736 3.504 ( 4.220 7.460 1.688) 8.736 3.726 ( 0.743 -3.416 -1.055) 3.652 3.726 ( 0.743 3.416 -1.055) 3.652 3.914 ( -3.590 -6.022 2.181) 7.342 3.914 ( -3.590 6.022 2.181) 7.342 4.118 ( -1.474 -5.251 -2.582) 6.035 4.118 ( -1.475 5.251 -2.582) 6.035 4.192 ( -1.368 -3.348 -6.830) 7.729 4.192 ( -1.368 3.348 -6.830) 7.729 4.476 ( -2.569 -0.236 0.074) 2.580 4.476 ( -2.569 0.236 0.074) 2.580 4.526 ( 2.872 -3.703 -7.295) 8.671 4.526 ( 2.872 3.703 -7.295) 8.671 5.086 ( -1.104 -6.330 0.475) 6.443 5.086 ( -1.104 6.330 0.475) 6.443 5.254 ( 6.484 -3.820 2.882) 8.059 5.254 ( 6.484 3.820 2.882) 8.059 5.384 ( -3.930 -3.618 0.120) 5.343 5.384 ( -3.930 3.618 0.120) 5.343 5.622 ( 0.674 -4.100 0.858) 4.243 5.622 ( 0.674 4.100 0.858) 4.243 5.778 ( 4.250 -3.291 -1.894) 5.699 5.778 ( 4.250 3.291 -1.894) 5.699 5.832 ( -1.760 -8.349 4.622) 9.704 5.832 ( -1.760 8.349 4.622) 9.704 5.908 ( 1.125 -4.140 2.655) 5.045 5.908 ( 1.125 4.140 2.655) 5.045 6.295 ( -1.118 -4.737 0.646) 4.910 6.295 ( -1.118 4.737 0.646) 4.910 6.424 ( 1.014 -4.903 -1.506) 5.229 6.424 ( 1.014 4.903 -1.506) 5.229 6.506 ( 0.755 -5.075 -0.578) 5.163 6.506 ( 0.755 5.075 -0.578) 5.164 6.570 ( -7.140 -5.389 -1.682) 9.102 6.570 ( -7.140 5.389 -1.682) 9.102 6.673 ( -4.846 -1.266 -2.474) 5.587 6.673 ( -4.846 1.266 -2.474) 5.587 6.859 ( 1.212 -2.769 -3.567) 4.676 6.859 ( 1.212 2.769 -3.567) 4.676 7.083 ( -4.239 -3.167 -0.454) 5.311 7.083 ( -4.239 3.167 -0.454) 5.311 7.305 ( 3.286 -2.614 5.742) 7.113 7.305 ( 3.286 2.614 5.742) 7.113 7.405 ( 0.879 -5.720 3.094) 6.562 7.405 ( 0.879 5.720 3.094) 6.562 7.483 ( -2.978 -1.624 6.154) 7.027 7.483 ( -2.978 1.624 6.154) 7.027 7.640 ( 2.893 -4.574 -3.065) 6.220 7.640 ( 2.893 4.574 -3.065) 6.220 7.812 ( -0.041 -2.155 -2.859) 3.580 7.812 ( -0.041 2.155 -2.859) 3.580 8.058 ( 1.039 -9.487 -2.508) 9.868 8.058 ( 1.039 9.487 -2.508) 9.868 8.141 ( -5.621 -2.676 -0.450) 6.242 8.141 ( -5.621 2.676 -0.450) 6.242 8.454 ( -3.658 -3.181 -5.995) 7.709 8.454 ( -3.658 3.181 -5.995) 7.709 8.586 ( -2.509 -2.855 -3.367) 5.077 8.586 ( -2.509 2.855 -3.367) 5.077 8.657 ( 1.773 -5.024 1.798) 5.623 8.657 ( 1.773 5.024 1.798) 5.623 9.015 ( -0.417 -8.162 -1.776) 8.363 9.015 ( -0.417 8.162 -1.776) 8.363 9.169 ( 1.673 -2.168 2.400) 3.641 9.169 ( 1.673 2.168 2.400) 3.641 9.213 ( -0.032 -1.315 -0.082) 1.318 9.213 ( -0.032 1.315 -0.082) 1.318 9.359 ( -1.728 -6.979 -2.627) 7.655 9.359 ( -1.728 6.979 -2.627) 7.655 9.511 ( 1.309 -0.720 0.176) 1.504 9.511 ( 1.309 0.720 0.176) 1.504 9.805 ( 1.424 -3.084 -4.616) 5.731 9.805 ( 1.424 3.084 -4.616) 5.731 9.890 ( -1.237 -2.551 0.201) 2.842 9.890 ( -1.237 2.551 0.201) 2.842 10.206 ( -2.587 -6.761 -0.778) 7.280 10.206 ( -2.587 6.761 -0.778) 7.280 10.506 ( 0.747 -1.993 3.110) 3.768 10.506 ( 0.747 1.993 3.110) 3.768 10.669 ( 2.196 -3.431 -1.563) 4.364 10.669 ( 2.196 3.431 -1.563) 4.364 10.780 ( 2.844 -10.553 8.356) 13.758 10.780 ( 2.844 10.553 8.356) 13.758 10.906 ( 1.673 -6.627 0.115) 6.836 10.906 ( 1.673 6.627 0.115) 6.836 11.090 ( -5.408 -4.552 2.511) 7.502 11.090 ( -5.408 4.552 2.511) 7.502 11.207 ( 0.688 -2.983 1.497) 3.407 11.207 ( 0.688 2.983 1.497) 3.407 11.368 ( 3.350 -1.977 1.756) 4.267 11.368 ( 3.350 1.977 1.756) 4.267 11.536 ( 2.033 -1.556 -2.211) 3.383 11.536 ( 2.033 1.556 -2.211) 3.383 11.656 ( 1.732 -5.097 4.722) 7.160 11.656 ( 1.732 5.097 4.722) 7.160 11.834 ( -2.016 -1.429 1.531) 2.907 11.834 ( -2.016 1.429 1.531) 2.907 11.976 ( 2.827 -8.234 1.812) 8.892 11.976 ( 2.827 8.234 1.812) 8.892 12.059 ( -5.538 -3.632 3.132) 7.326 12.059 ( -5.538 3.632 3.132) 7.326 12.229 ( -0.228 -2.032 -0.774) 2.186 12.229 ( -0.228 2.032 -0.774) 2.186 12.373 ( -0.340 -6.291 -1.930) 6.589 12.373 ( -0.340 6.291 -1.930) 6.589 12.510 ( 2.749 -0.488 -0.071) 2.792 12.510 ( 2.749 0.488 -0.071) 2.792 12.740 ( -2.964 -1.700 1.152) 3.606 12.740 ( -2.964 1.700 1.152) 3.606 13.000 ( 1.468 -3.160 0.701) 3.554 13.000 ( 1.468 3.160 0.701) 3.554 13.229 ( -0.117 -1.879 -3.516) 3.988 13.229 ( -0.117 1.879 -3.516) 3.988 13.284 ( -1.012 -4.875 0.923) 5.064 13.284 ( -1.012 4.875 0.923) 5.064 13.435 ( 3.027 -1.182 3.291) 4.625 13.435 ( 3.027 1.182 3.291) 4.625 13.630 ( -0.986 -1.879 -6.669) 6.998 13.630 ( -0.986 1.879 -6.669) 6.998 14.020 ( -2.335 -1.080 -3.579) 4.408 14.020 ( -2.335 1.080 -3.579) 4.408 14.226 ( 0.219 -1.741 0.722) 1.898 14.226 ( 0.219 1.741 0.722) 1.898 14.386 ( 1.385 -3.926 0.933) 4.267 14.386 ( 1.385 3.926 0.933) 4.267 14.568 ( 3.030 -8.617 -0.533) 9.150 14.568 ( 3.030 8.617 -0.533) 9.150 14.648 ( 0.672 -2.879 1.695) 3.408 14.648 ( 0.672 2.879 1.695) 3.408 14.781 ( -1.338 -5.695 -2.671) 6.431 14.781 ( -1.338 5.695 -2.671) 6.431 14.916 ( -4.175 -2.861 -1.143) 5.188 14.916 ( -4.175 2.861 -1.143) 5.188 15.272 ( 1.187 -4.286 -0.049) 4.448 15.272 ( 1.187 4.286 -0.049) 4.448 15.403 ( 0.488 -2.377 0.027) 2.427 15.403 ( 0.488 2.377 0.027) 2.427 15.596 ( -0.048 -3.023 -0.383) 3.048 15.596 ( -0.048 3.023 -0.383) 3.048 15.705 ( -0.081 -3.960 2.480) 4.673 15.705 ( -0.081 3.960 2.480) 4.673 15.942 ( 0.239 -1.669 3.046) 3.482 15.942 ( 0.239 1.669 3.046) 3.482 16.180 ( 0.929 -2.627 1.599) 3.212 16.180 ( 0.929 2.627 1.599) 3.212 16.267 ( 0.308 -6.972 1.238) 7.087 16.267 ( 0.308 6.972 1.238) 7.087 16.351 ( -1.055 -5.828 -5.579) 8.137 16.351 ( -1.055 5.828 -5.579) 8.137 16.551 ( 0.928 -1.786 0.165) 2.019 16.551 ( 0.928 1.786 0.165) 2.019 17.479 ( -0.946 -2.188 -2.615) 3.539 17.479 ( -0.946 2.188 -2.615) 3.539 17.935 ( 4.236 -7.568 3.294) 9.277 17.935 ( 4.236 7.568 3.294) 9.277 18.189 ( -0.166 -2.122 -1.352) 2.522 18.189 ( -0.166 2.122 -1.352) 2.522 18.745 ( -1.236 -8.134 0.270) 8.232 18.745 ( -1.236 8.134 0.270) 8.232 19.398 ( -0.325 -8.233 -2.865) 8.723 19.398 ( -0.325 8.233 -2.865) 8.723 19.793 ( 0.933 -5.736 0.699) 5.853 19.793 ( 0.933 5.736 0.699) 5.853 20.091 ( -2.692 -8.067 -1.889) 8.712 20.091 ( -2.692 8.067 -1.889) 8.712 20.759 ( -0.028 -7.435 -0.163) 7.437 20.759 ( -0.028 7.435 -0.163) 7.437 21.111 ( -0.192 -3.836 -1.058) 3.984 21.111 ( -0.192 3.836 -1.058) 3.984 21.247 ( -1.593 -0.870 -1.191) 2.171 21.247 ( -1.593 0.870 -1.191) 2.171 21.774 ( -0.289 -4.264 -0.270) 4.282 21.774 ( -0.289 4.264 -0.270) 4.282 22.238 ( 0.185 -1.153 2.703) 2.945 22.238 ( 0.185 1.153 2.703) 2.945 22.513 ( 0.667 -7.643 -0.615) 7.697 22.513 ( 0.667 7.643 -0.615) 7.697 23.156 ( 0.647 -11.401 -1.073) 11.469 23.156 ( 0.647 11.401 -1.073) 11.469 24.237 ( 2.011 -5.698 1.098) 6.142 24.237 ( 2.011 5.698 1.098) 6.142 24.607 ( -3.382 -2.612 -2.390) 4.896 24.607 ( -3.382 2.612 -2.390) 4.896 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 1.503 0.000 37.000) 37.030 0.727 ( 5.712 0.000 36.838) 37.278 1.283 ( 0.915 0.000 58.318) 58.325 1.814 ( 2.428 0.000 12.044) 12.286 2.020 ( 0.631 0.000 -0.109) 0.640 2.093 ( -1.880 0.000 4.381) 4.767 2.128 ( 1.220 0.000 0.822) 1.471 2.177 ( -6.265 0.000 -3.124) 7.001 2.310 ( -4.363 0.000 1.546) 4.629 2.464 ( -0.165 0.000 -0.593) 0.616 2.503 ( -6.160 0.000 8.549) 10.537 2.619 ( -1.203 0.000 -4.174) 4.344 2.630 ( -6.088 0.000 -3.476) 7.010 2.790 ( 0.093 0.000 -0.436) 0.446 2.801 ( 1.137 0.000 13.830) 13.876 2.903 ( -1.888 0.000 8.733) 8.935 2.947 ( -5.822 0.000 3.898) 7.006 3.046 ( -5.208 0.000 -0.288) 5.216 3.203 ( -2.317 0.000 0.805) 2.453 3.356 ( 0.180 0.000 5.778) 5.781 3.471 ( -3.700 0.000 -0.096) 3.701 3.498 ( 0.745 0.000 -5.846) 5.893 3.526 ( -1.673 0.000 -0.181) 1.683 3.700 ( -8.296 0.000 -8.164) 11.640 3.824 ( -5.233 0.000 -6.036) 7.988 3.868 ( -2.040 0.000 -4.301) 4.760 3.943 ( 2.339 0.000 -4.466) 5.042 3.972 ( 2.013 0.000 10.711) 10.898 4.183 ( 7.285 0.000 6.621) 9.844 4.303 ( 0.687 0.000 3.945) 4.004 4.369 ( -5.370 0.000 -6.981) 8.808 4.431 ( 7.462 0.000 -0.383) 7.472 4.557 ( 6.809 0.000 -0.508) 6.828 4.616 ( 5.502 0.000 -2.465) 6.029 4.956 ( -8.484 0.000 -0.900) 8.532 5.040 ( 9.715 0.000 0.273) 9.719 5.046 ( 2.867 0.000 7.565) 8.090 5.320 ( 7.586 0.000 -0.696) 7.618 5.364 ( -3.853 0.000 -9.528) 10.277 5.415 ( 3.561 0.000 3.486) 4.983 5.506 ( -0.480 0.000 -2.071) 2.126 5.555 ( -3.941 0.000 6.887) 7.935 5.683 ( -0.817 0.000 6.335) 6.387 5.759 ( -6.540 0.000 -0.552) 6.563 5.825 ( 0.122 0.000 0.168) 0.207 5.831 ( -0.819 0.000 0.742) 1.106 5.973 ( 4.582 0.000 2.501) 5.221 6.106 ( -2.572 0.000 3.949) 4.712 6.128 ( -1.713 0.000 -5.182) 5.457 6.256 ( 5.083 0.000 -4.647) 6.887 6.352 ( -2.087 0.000 -4.393) 4.864 6.413 ( -7.628 0.000 4.311) 8.763 6.640 ( 2.761 0.000 2.599) 3.792 6.835 ( -5.582 0.000 5.873) 8.103 6.886 ( 5.989 0.000 0.269) 5.996 6.950 ( -0.221 0.000 -4.459) 4.464 6.969 ( 11.424 0.000 6.559) 13.173 7.058 ( -2.466 0.000 -0.909) 2.628 7.156 ( -6.059 0.000 1.462) 6.233 7.177 ( -2.009 0.000 -10.911) 11.094 7.201 ( 2.907 0.000 -2.159) 3.621 7.227 ( 2.933 0.000 -0.289) 2.947 7.343 ( 2.786 0.000 2.423) 3.692 7.402 ( 3.293 0.000 -5.937) 6.789 7.454 ( 1.932 0.000 -1.294) 2.325 7.579 ( -5.968 0.000 1.040) 6.058 7.591 ( -0.561 0.000 -0.415) 0.698 7.735 ( 4.723 0.000 -0.587) 4.759 7.780 ( -1.374 0.000 -1.848) 2.303 8.022 ( -10.940 0.000 -5.418) 12.208 8.092 ( 7.758 0.000 -1.541) 7.909 8.150 ( 4.962 0.000 4.399) 6.631 8.196 ( -11.834 0.000 -11.472) 16.482 8.291 ( 4.451 0.000 -2.939) 5.334 8.303 ( -0.904 0.000 -11.366) 11.402 8.356 ( -6.423 0.000 -6.315) 9.007 8.416 ( 14.806 0.000 -2.693) 15.049 8.511 ( -2.481 0.000 1.632) 2.970 8.572 ( 14.214 0.000 -1.466) 14.289 8.618 ( -8.930 0.000 -1.301) 9.024 8.673 ( 2.204 0.000 0.394) 2.239 8.717 ( 1.340 0.000 -4.576) 4.768 8.819 ( 2.564 0.000 0.864) 2.706 8.880 ( 6.827 0.000 -1.377) 6.964 8.917 ( -4.969 0.000 0.335) 4.981 8.948 ( 1.876 0.000 -5.594) 5.900 9.071 ( 2.315 0.000 18.863) 19.005 9.122 ( 18.896 0.000 -0.808) 18.913 9.250 ( -9.360 0.000 -6.176) 11.214 9.409 ( 6.461 0.000 -0.086) 6.461 9.451 ( -2.297 0.000 -2.503) 3.397 9.458 ( 2.381 0.000 9.806) 10.091 9.650 ( 1.584 0.000 15.617) 15.698 9.834 ( -1.162 0.000 -0.644) 1.328 9.941 ( 8.463 0.000 10.865) 13.772 9.971 ( 4.774 0.000 9.806) 10.907 10.108 ( 1.113 0.000 -0.825) 1.385 10.225 ( 0.486 0.000 -7.074) 7.091 10.232 ( 9.328 0.000 -1.145) 9.398 10.371 ( -4.456 0.000 -6.399) 7.797 10.389 ( 3.861 0.000 1.861) 4.286 10.524 ( -3.718 0.000 4.069) 5.512 10.593 ( -0.084 0.000 6.248) 6.249 10.694 ( 2.830 0.000 9.349) 9.768 10.775 ( 2.216 0.000 -2.046) 3.016 10.821 ( 4.036 0.000 -1.151) 4.197 10.988 ( -2.266 0.000 0.117) 2.269 11.017 ( -1.479 0.000 6.339) 6.509 11.049 ( -8.075 0.000 1.689) 8.250 11.102 ( -9.659 0.000 -10.387) 14.184 11.206 ( 2.054 0.000 -1.384) 2.476 11.243 ( 2.699 0.000 7.880) 8.330 11.410 ( 11.545 0.000 0.966) 11.586 11.484 ( -1.669 0.000 8.558) 8.720 11.556 ( 3.892 0.000 0.037) 3.892 11.629 ( -4.668 0.000 2.226) 5.172 11.770 ( 3.497 0.000 -3.399) 4.877 11.856 ( -7.025 0.000 5.881) 9.162 11.984 ( 6.716 0.000 -4.430) 8.046 12.048 ( -1.551 0.000 -2.981) 3.361 12.144 ( -5.086 0.000 -2.113) 5.507 12.189 ( -0.454 0.000 0.008) 0.454 12.283 ( 1.511 0.000 -1.449) 2.093 12.293 ( -3.488 0.000 -1.726) 3.892 12.369 ( -6.402 0.000 -1.718) 6.628 12.436 ( 1.341 0.000 7.227) 7.350 12.439 ( -0.423 0.000 4.793) 4.812 12.483 ( -12.520 0.000 8.173) 14.952 12.602 ( 1.398 0.000 3.071) 3.374 12.714 ( -0.105 0.000 -4.458) 4.459 12.833 ( 3.683 0.000 -2.168) 4.274 12.959 ( -2.140 0.000 1.967) 2.907 12.988 ( 2.122 0.000 7.390) 7.688 13.392 ( 8.125 0.000 2.545) 8.515 13.413 ( -4.249 0.000 -1.230) 4.424 13.589 ( 3.275 0.000 4.569) 5.622 13.776 ( -28.882 0.000 -2.090) 28.958 13.829 ( -2.081 0.000 -8.192) 8.452 13.982 ( -1.587 0.000 -5.690) 5.907 14.001 ( -2.232 0.000 -4.519) 5.040 14.026 ( 2.932 0.000 -7.722) 8.260 14.092 ( -7.976 0.000 -3.898) 8.877 14.224 ( 6.627 0.000 -5.495) 8.609 14.230 ( -0.483 0.000 -2.172) 2.225 14.331 ( 1.744 0.000 -6.507) 6.736 14.470 ( -3.737 0.000 -6.572) 7.560 14.530 ( -0.060 0.000 -5.996) 5.996 14.586 ( 3.920 0.000 -2.567) 4.685 14.669 ( -13.305 0.000 1.198) 13.359 14.789 ( -2.535 0.000 7.282) 7.710 14.813 ( -1.985 0.000 -9.651) 9.853 14.869 ( 1.643 0.000 1.700) 2.364 15.005 ( -3.382 0.000 -6.024) 6.908 15.072 ( 4.026 0.000 -1.504) 4.298 15.241 ( 2.402 0.000 2.815) 3.700 15.246 ( 0.850 0.000 -3.519) 3.620 15.287 ( -0.369 0.000 -0.334) 0.498 15.359 ( 2.701 0.000 3.500) 4.421 15.420 ( 4.356 0.000 1.162) 4.509 15.631 ( 1.493 0.000 2.233) 2.686 15.707 ( -0.272 0.000 -0.297) 0.403 15.797 ( 0.299 0.000 0.810) 0.863 15.834 ( -3.438 0.000 2.382) 4.183 15.945 ( -20.368 0.000 4.556) 20.871 15.968 ( -1.385 0.000 4.323) 4.540 16.151 ( -0.788 0.000 4.613) 4.679 16.255 ( -2.866 0.000 -7.630) 8.151 16.261 ( -8.523 0.000 -1.122) 8.597 16.314 ( -0.619 0.000 -0.483) 0.785 16.519 ( -4.023 0.000 4.452) 6.001 16.687 ( -1.121 0.000 -6.219) 6.319 16.770 ( 0.767 0.000 -4.182) 4.252 17.315 ( 4.586 0.000 0.597) 4.625 17.497 ( 0.621 0.000 -0.071) 0.625 17.590 ( -3.464 0.000 3.064) 4.625 17.687 ( 0.480 0.000 -2.472) 2.519 18.326 ( -4.557 0.000 3.948) 6.029 18.517 ( 2.884 0.000 -2.442) 3.780 18.604 ( -3.456 0.000 -5.450) 6.453 18.811 ( 27.776 0.000 -3.799) 28.035 19.031 ( -2.020 0.000 2.590) 3.285 19.344 ( 4.836 0.000 -1.547) 5.077 19.781 ( -4.948 0.000 3.244) 5.917 19.783 ( 0.205 0.000 3.700) 3.706 20.138 ( -1.895 0.000 9.531) 9.718 20.570 ( -5.677 0.000 -7.382) 9.312 20.690 ( 35.674 0.000 -8.254) 36.617 20.816 ( -0.927 0.000 4.055) 4.160 20.961 ( -0.931 0.000 1.647) 1.892 21.223 ( 13.653 0.000 0.569) 13.665 21.413 ( -1.188 0.000 -4.709) 4.857 21.428 ( 4.282 0.000 -1.869) 4.672 21.612 ( 5.264 0.000 3.210) 6.166 21.907 ( -8.805 0.000 3.986) 9.665 21.941 ( 6.574 0.000 0.085) 6.574 22.095 ( -5.329 0.000 1.901) 5.658 22.319 ( -24.817 0.000 5.681) 25.459 22.941 ( -2.308 0.000 -0.203) 2.317 23.072 ( 15.102 0.000 -1.423) 15.169 23.191 ( 0.159 0.000 -9.400) 9.401 24.166 ( -3.234 0.000 -5.131) 6.065 24.344 ( 3.635 0.000 -5.128) 6.285 24.675 ( 3.032 0.000 -1.015) 3.198 24.804 ( 19.084 0.000 -1.597) 19.151 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 8.635 0.000 29.399) 30.641 1.388 ( 19.658 0.000 29.596) 35.530 1.856 ( 5.532 0.000 16.385) 17.294 1.981 ( -0.457 0.000 -1.223) 1.305 2.077 ( 3.885 0.000 9.538) 10.299 2.101 ( 1.190 0.000 2.404) 2.682 2.178 ( 0.788 0.000 4.593) 4.660 2.238 ( 5.290 0.000 5.431) 7.581 2.254 ( 2.007 0.000 1.078) 2.278 2.405 ( -2.017 0.000 -5.882) 6.218 2.537 ( -0.484 0.000 -0.085) 0.492 2.539 ( -2.169 0.000 -4.086) 4.626 2.554 ( -1.855 0.000 8.104) 8.313 2.785 ( 0.178 0.000 0.645) 0.669 2.865 ( -2.560 0.000 2.911) 3.877 2.964 ( -0.575 0.000 8.092) 8.113 3.037 ( -0.624 0.000 3.292) 3.351 3.065 ( -0.258 0.000 20.279) 20.280 3.201 ( -10.390 0.000 -11.066) 15.179 3.406 ( 7.971 0.000 6.937) 10.567 3.479 ( 1.371 0.000 9.740) 9.836 3.488 ( -0.490 0.000 -1.594) 1.668 3.548 ( -0.863 0.000 -3.112) 3.229 3.559 ( 9.316 0.000 6.057) 11.112 3.717 ( 4.322 0.000 -4.929) 6.556 3.887 ( 7.387 0.000 2.233) 7.717 3.901 ( -2.700 0.000 -2.771) 3.869 4.084 ( -6.543 0.000 13.755) 15.232 4.196 ( 2.732 0.000 -3.827) 4.702 4.200 ( -8.069 0.000 -2.917) 8.580 4.430 ( 4.483 0.000 -1.324) 4.675 4.478 ( 4.409 0.000 -7.279) 8.510 4.586 ( 3.574 0.000 -12.829) 13.318 4.759 ( 5.151 0.000 7.642) 9.216 4.799 ( -10.852 0.000 1.168) 10.915 5.086 ( -6.170 0.000 -11.412) 12.973 5.172 ( 9.288 0.000 3.011) 9.764 5.224 ( 0.541 0.000 3.940) 3.977 5.492 ( 1.097 0.000 -1.473) 1.837 5.503 ( 11.293 0.000 2.695) 11.610 5.556 ( 6.031 0.000 6.153) 8.616 5.580 ( -1.135 0.000 2.161) 2.441 5.636 ( -9.984 0.000 -0.741) 10.011 5.799 ( 5.592 0.000 8.061) 9.811 5.822 ( 2.947 0.000 -2.771) 4.045 5.896 ( 3.222 0.000 6.329) 7.101 6.009 ( -4.980 0.000 2.559) 5.599 6.080 ( -2.426 0.000 3.526) 4.280 6.143 ( -1.166 0.000 0.233) 1.189 6.244 ( -0.167 0.000 0.241) 0.293 6.279 ( 0.637 0.000 -3.658) 3.713 6.413 ( -1.237 0.000 5.135) 5.282 6.631 ( -2.012 0.000 -3.308) 3.872 6.769 ( -6.932 0.000 -11.180) 13.155 6.787 ( -2.638 0.000 -14.112) 14.356 6.886 ( -1.488 0.000 8.031) 8.168 6.924 ( -9.667 0.000 -11.432) 14.971 6.976 ( -8.144 0.000 5.675) 9.926 7.074 ( -2.741 0.000 2.224) 3.530 7.160 ( -2.706 0.000 1.554) 3.120 7.214 ( 2.475 0.000 -3.418) 4.220 7.237 ( -0.621 0.000 -2.361) 2.441 7.369 ( -8.793 0.000 -1.615) 8.940 7.369 ( -0.064 0.000 -3.635) 3.636 7.431 ( 0.527 0.000 1.481) 1.571 7.525 ( -1.251 0.000 -0.068) 1.253 7.542 ( -3.892 0.000 0.499) 3.924 7.654 ( -16.120 0.000 -7.783) 17.901 7.757 ( -1.934 0.000 -4.628) 5.016 7.832 ( -9.028 0.000 -16.846) 19.113 7.902 ( 8.133 0.000 2.630) 8.547 8.189 ( -8.155 0.000 -2.862) 8.642 8.190 ( 9.524 0.000 -3.044) 9.999 8.238 ( -16.265 0.000 -10.136) 19.165 8.265 ( 10.485 0.000 -2.755) 10.841 8.337 ( 6.251 0.000 7.717) 9.931 8.356 ( -11.952 0.000 -6.511) 13.610 8.455 ( 2.749 0.000 3.221) 4.235 8.502 ( 7.296 0.000 -1.632) 7.477 8.601 ( 2.834 0.000 -6.573) 7.158 8.697 ( 0.068 0.000 -1.018) 1.021 8.708 ( 4.389 0.000 -3.292) 5.487 8.838 ( -0.327 0.000 2.786) 2.806 8.887 ( -0.696 0.000 2.784) 2.869 8.896 ( 5.435 0.000 -3.211) 6.313 9.096 ( 11.500 0.000 1.450) 11.591 9.181 ( -1.725 0.000 2.722) 3.223 9.275 ( 7.290 0.000 -2.594) 7.738 9.313 ( -0.133 0.000 12.042) 12.043 9.423 ( 4.754 0.000 -0.814) 4.823 9.488 ( 7.222 0.000 -9.165) 11.669 9.598 ( -3.638 0.000 10.115) 10.749 9.760 ( -5.372 0.000 0.222) 5.377 9.875 ( -0.380 0.000 14.318) 14.323 9.971 ( -7.074 0.000 -8.986) 11.436 10.068 ( 3.438 0.000 -7.628) 8.367 10.151 ( 7.647 0.000 -4.344) 8.794 10.195 ( -3.652 0.000 11.419) 11.989 10.240 ( 4.341 0.000 6.840) 8.101 10.443 ( -0.429 0.000 -3.953) 3.977 10.501 ( 4.101 0.000 6.224) 7.454 10.607 ( 5.634 0.000 4.729) 7.356 10.633 ( 1.709 0.000 1.853) 2.521 10.795 ( 6.975 0.000 -3.327) 7.728 10.828 ( -4.045 0.000 6.918) 8.013 10.840 ( -4.857 0.000 -0.100) 4.858 10.935 ( 0.886 0.000 3.334) 3.450 10.939 ( -1.626 0.000 0.794) 1.810 11.073 ( -5.928 0.000 10.215) 11.811 11.073 ( 1.810 0.000 9.775) 9.942 11.149 ( -2.336 0.000 -4.455) 5.031 11.359 ( 2.840 0.000 5.525) 6.212 11.439 ( -9.398 0.000 0.038) 9.398 11.549 ( -3.949 0.000 4.592) 6.056 11.570 ( 6.790 0.000 3.658) 7.712 11.645 ( -1.049 0.000 6.554) 6.638 11.830 ( -3.158 0.000 2.710) 4.161 11.874 ( 7.628 0.000 5.126) 9.191 11.880 ( -9.646 0.000 -3.301) 10.195 12.021 ( 0.503 0.000 -0.341) 0.607 12.096 ( 2.208 0.000 2.480) 3.320 12.173 ( 0.176 0.000 -1.957) 1.965 12.219 ( -14.219 0.000 6.442) 15.610 12.273 ( -0.089 0.000 -0.623) 0.629 12.385 ( 7.777 0.000 -0.137) 7.778 12.407 ( -4.761 0.000 1.023) 4.869 12.473 ( -2.968 0.000 2.843) 4.110 12.585 ( 4.658 0.000 8.892) 10.039 12.679 ( 3.158 0.000 -3.422) 4.657 12.751 ( 7.281 0.000 5.985) 9.425 12.859 ( 4.018 0.000 -4.627) 6.128 12.990 ( 1.911 0.000 3.482) 3.972 13.083 ( 0.221 0.000 5.517) 5.521 13.294 ( -5.124 0.000 -6.335) 8.148 13.455 ( -19.781 0.000 6.300) 20.760 13.497 ( -0.166 0.000 -8.434) 8.435 13.594 ( 2.076 0.000 1.162) 2.379 13.736 ( -10.628 0.000 -13.031) 16.816 13.847 ( -7.686 0.000 -6.851) 10.296 13.887 ( 3.408 0.000 -1.155) 3.598 13.926 ( -5.534 0.000 -4.127) 6.904 13.998 ( 4.592 0.000 -0.498) 4.619 14.076 ( -0.250 0.000 -5.854) 5.859 14.178 ( 0.674 0.000 -6.250) 6.286 14.276 ( 3.682 0.000 -9.437) 10.130 14.391 ( 2.828 0.000 -6.776) 7.342 14.552 ( -4.421 0.000 -3.565) 5.679 14.592 ( 4.437 0.000 -4.849) 6.573 14.642 ( 6.658 0.000 5.905) 8.899 14.688 ( -3.390 0.000 -4.289) 5.467 14.867 ( 2.131 0.000 5.311) 5.723 14.871 ( -4.448 0.000 -6.804) 8.128 14.945 ( 4.303 0.000 3.392) 5.479 15.150 ( 4.836 0.000 1.375) 5.027 15.152 ( -3.306 0.000 -3.874) 5.093 15.245 ( -0.651 0.000 -5.364) 5.404 15.340 ( 2.777 0.000 6.546) 7.111 15.400 ( 0.043 0.000 -2.911) 2.911 15.502 ( 2.438 0.000 4.813) 5.395 15.654 ( -5.762 0.000 3.339) 6.659 15.663 ( 1.127 0.000 -0.679) 1.316 15.763 ( -10.006 0.000 4.917) 11.149 15.863 ( -1.272 0.000 0.596) 1.404 15.876 ( 3.648 0.000 4.005) 5.417 16.000 ( 0.449 0.000 3.425) 3.454 16.106 ( -6.014 0.000 0.181) 6.017 16.192 ( -0.890 0.000 -4.621) 4.705 16.214 ( 1.249 0.000 5.678) 5.814 16.327 ( 0.312 0.000 0.603) 0.679 16.550 ( 0.809 0.000 1.333) 1.560 16.576 ( -2.234 0.000 -6.672) 7.037 16.710 ( -1.001 0.000 -5.620) 5.708 17.439 ( 5.739 0.000 1.996) 6.077 17.536 ( -3.480 0.000 -2.594) 4.340 17.582 ( 8.460 0.000 3.730) 9.246 17.671 ( 1.049 0.000 -2.917) 3.100 18.301 ( -4.565 0.000 2.748) 5.328 18.466 ( -3.271 0.000 -7.533) 8.212 18.534 ( 2.318 0.000 -1.215) 2.617 18.985 ( 7.421 0.000 -5.287) 9.111 19.059 ( 6.454 0.000 -2.313) 6.856 19.426 ( 8.065 0.000 -1.722) 8.247 19.717 ( -8.910 0.000 4.042) 9.784 19.839 ( -1.162 0.000 5.349) 5.473 20.280 ( -0.178 0.000 13.288) 13.290 20.358 ( -8.218 0.000 -8.912) 12.123 20.799 ( -3.722 0.000 -0.209) 3.728 20.829 ( 12.292 0.000 -9.698) 15.657 20.995 ( 1.265 0.000 2.249) 2.581 21.244 ( 1.044 0.000 -8.493) 8.557 21.401 ( -7.722 0.000 7.213) 10.566 21.461 ( 1.392 0.000 -1.366) 1.950 21.648 ( 1.378 0.000 -1.226) 1.844 21.806 ( -4.285 0.000 0.931) 4.385 22.039 ( 2.786 0.000 -1.483) 3.156 22.079 ( 2.962 0.000 5.474) 6.224 22.324 ( -0.052 0.000 12.064) 12.065 22.894 ( -3.653 0.000 -0.967) 3.779 22.984 ( -6.117 0.000 -13.869) 15.158 23.221 ( 10.481 0.000 -7.986) 13.177 24.078 ( -0.138 0.000 -3.798) 3.801 24.354 ( 5.482 0.000 -5.175) 7.538 24.674 ( -1.607 0.000 -1.389) 2.124 24.933 ( 8.476 0.000 -11.388) 14.196 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.429 0.000 19.774) 22.356 1.935 ( 11.597 0.000 17.368) 20.883 2.046 ( 3.664 0.000 5.776) 6.840 2.093 ( 8.554 0.000 6.725) 10.881 2.144 ( 4.338 0.000 0.114) 4.340 2.160 ( 2.509 0.000 1.735) 3.050 2.239 ( 0.722 0.000 2.030) 2.155 2.276 ( 1.698 0.000 2.253) 2.821 2.328 ( 1.517 0.000 -2.994) 3.356 2.355 ( 2.127 0.000 1.093) 2.391 2.469 ( 0.157 0.000 -3.531) 3.534 2.541 ( -1.149 0.000 1.502) 1.891 2.683 ( 6.589 0.000 4.405) 7.926 2.787 ( -2.202 0.000 -0.706) 2.312 2.902 ( -1.009 0.000 10.220) 10.270 2.971 ( -0.414 0.000 -2.157) 2.196 3.090 ( 3.487 0.000 2.202) 4.124 3.128 ( 0.419 0.000 5.186) 5.203 3.210 ( -4.233 0.000 4.285) 6.023 3.409 ( -5.084 0.000 -0.311) 5.094 3.456 ( 5.223 0.000 5.029) 7.251 3.534 ( -0.502 0.000 -1.966) 2.029 3.642 ( 9.828 0.000 1.557) 9.950 3.801 ( 8.189 0.000 -0.181) 8.191 3.821 ( 0.477 0.000 -3.626) 3.657 4.025 ( 4.997 0.000 3.154) 5.909 4.094 ( -4.202 0.000 1.909) 4.616 4.158 ( 9.386 0.000 6.180) 11.238 4.228 ( 3.893 0.000 2.080) 4.414 4.293 ( 12.828 0.000 24.855) 27.971 4.367 ( -0.850 0.000 -12.997) 13.025 4.418 ( 7.886 0.000 8.623) 11.685 4.466 ( 3.497 0.000 -12.797) 13.266 4.674 ( -10.375 0.000 1.637) 10.503 4.789 ( -10.336 0.000 -10.927) 15.041 4.859 ( 3.240 0.000 3.532) 4.793 5.277 ( -1.697 0.000 1.615) 2.343 5.349 ( 2.738 0.000 8.866) 9.279 5.412 ( -8.054 0.000 -6.586) 10.404 5.502 ( -3.008 0.000 -0.835) 3.121 5.529 ( 2.024 0.000 -8.047) 8.298 5.604 ( 2.899 0.000 -0.412) 2.928 5.743 ( 5.746 0.000 5.873) 8.217 5.842 ( -9.201 0.000 -4.648) 10.308 5.853 ( 1.120 0.000 -6.758) 6.850 5.911 ( -1.225 0.000 7.236) 7.339 6.044 ( -12.040 0.000 -2.628) 12.324 6.051 ( -6.128 0.000 4.564) 7.641 6.112 ( 1.570 0.000 4.785) 5.036 6.205 ( -5.107 0.000 -4.959) 7.119 6.450 ( -5.475 0.000 5.101) 7.483 6.456 ( -3.156 0.000 -12.687) 13.074 6.479 ( 12.596 0.000 18.320) 22.233 6.534 ( 1.580 0.000 -12.768) 12.865 6.646 ( 4.671 0.000 -0.732) 4.728 6.759 ( -5.038 0.000 2.973) 5.849 6.915 ( -4.177 0.000 0.053) 4.177 6.915 ( -5.633 0.000 -3.621) 6.696 7.005 ( -6.691 0.000 6.073) 9.036 7.100 ( -5.513 0.000 -2.353) 5.994 7.168 ( -8.191 0.000 -3.318) 8.837 7.182 ( -2.433 0.000 -0.073) 2.434 7.270 ( -1.539 0.000 -0.296) 1.567 7.321 ( 1.077 0.000 -4.950) 5.066 7.360 ( -13.708 0.000 -4.480) 14.422 7.405 ( -3.094 0.000 0.334) 3.112 7.501 ( -4.642 0.000 2.924) 5.486 7.567 ( 3.553 0.000 5.721) 6.735 7.596 ( -4.004 0.000 -4.069) 5.709 7.684 ( 5.675 0.000 -7.463) 9.376 7.882 ( -9.499 0.000 -8.423) 12.696 7.977 ( 4.067 0.000 -2.801) 4.938 8.031 ( -9.240 0.000 -2.224) 9.503 8.094 ( -10.175 0.000 -3.372) 10.719 8.281 ( 4.262 0.000 -2.252) 4.821 8.349 ( 1.436 0.000 -5.582) 5.764 8.437 ( 5.327 0.000 2.433) 5.856 8.562 ( -5.435 0.000 -0.753) 5.486 8.592 ( 3.993 0.000 -3.246) 5.146 8.647 ( 5.788 0.000 -2.452) 6.286 8.689 ( 1.738 0.000 2.916) 3.395 8.731 ( 3.977 0.000 2.108) 4.501 8.830 ( -7.478 0.000 0.779) 7.519 8.917 ( 2.760 0.000 -6.799) 7.338 8.948 ( 4.748 0.000 6.719) 8.227 9.174 ( -3.904 0.000 2.493) 4.632 9.223 ( 3.824 0.000 -0.998) 3.952 9.309 ( 4.812 0.000 -6.988) 8.485 9.396 ( 5.582 0.000 -5.143) 7.590 9.467 ( 7.791 0.000 -4.146) 8.826 9.490 ( -3.931 0.000 -2.271) 4.539 9.575 ( -3.445 0.000 9.465) 10.073 9.709 ( -3.994 0.000 -0.430) 4.017 9.806 ( 1.134 0.000 -5.307) 5.427 9.862 ( -2.817 0.000 -11.917) 12.246 9.983 ( -2.595 0.000 -3.237) 4.149 10.196 ( 3.691 0.000 -1.721) 4.072 10.303 ( 2.535 0.000 5.115) 5.708 10.420 ( 3.677 0.000 7.848) 8.666 10.474 ( 1.688 0.000 10.358) 10.494 10.503 ( -12.954 0.000 0.192) 12.955 10.653 ( 0.950 0.000 0.292) 0.994 10.654 ( -5.202 0.000 3.245) 6.131 10.777 ( 1.894 0.000 4.535) 4.915 10.779 ( -2.716 0.000 1.889) 3.308 10.954 ( -0.735 0.000 -7.219) 7.257 10.969 ( 11.869 0.000 2.309) 12.091 11.085 ( 3.356 0.000 8.886) 9.499 11.096 ( 3.719 0.000 2.803) 4.657 11.186 ( 4.522 0.000 5.270) 6.945 11.246 ( 2.265 0.000 13.319) 13.510 11.374 ( -0.453 0.000 0.502) 0.676 11.485 ( -6.792 0.000 -0.899) 6.851 11.491 ( 1.727 0.000 8.206) 8.385 11.640 ( -5.317 0.000 -4.072) 6.697 11.687 ( 2.158 0.000 4.040) 4.581 11.754 ( -5.726 0.000 6.541) 8.693 11.885 ( 2.403 0.000 4.543) 5.139 11.960 ( -4.706 0.000 -4.672) 6.631 12.047 ( 6.275 0.000 1.587) 6.473 12.096 ( -1.437 0.000 -1.923) 2.401 12.192 ( 3.732 0.000 0.504) 3.766 12.213 ( -6.877 0.000 15.657) 17.101 12.301 ( 3.751 0.000 1.388) 4.000 12.363 ( -3.163 0.000 0.947) 3.301 12.429 ( -1.916 0.000 -1.163) 2.241 12.454 ( 0.420 0.000 1.214) 1.285 12.700 ( -0.544 0.000 4.267) 4.301 12.778 ( 6.569 0.000 3.910) 7.645 12.839 ( -4.478 0.000 -2.484) 5.121 12.869 ( 0.829 0.000 -3.457) 3.555 13.061 ( 10.016 0.000 1.658) 10.152 13.156 ( 0.140 0.000 5.864) 5.866 13.233 ( 0.257 0.000 0.965) 0.998 13.273 ( -11.131 0.000 5.874) 12.586 13.314 ( -10.733 0.000 -12.521) 16.492 13.387 ( 1.516 0.000 -9.351) 9.473 13.600 ( -9.148 0.000 -12.610) 15.579 13.655 ( -5.356 0.000 -7.358) 9.101 13.660 ( 0.594 0.000 -4.294) 4.335 13.998 ( 4.437 0.000 -5.515) 7.078 14.114 ( 1.152 0.000 -6.110) 6.217 14.116 ( 6.633 0.000 7.395) 9.934 14.212 ( 4.353 0.000 -10.483) 11.351 14.217 ( 7.633 0.000 12.012) 14.232 14.347 ( 0.776 0.000 -3.798) 3.876 14.420 ( -5.215 0.000 -7.425) 9.073 14.571 ( -7.581 0.000 -1.785) 7.789 14.589 ( 2.891 0.000 -4.421) 5.282 14.764 ( 1.507 0.000 -4.151) 4.416 14.789 ( 2.935 0.000 4.765) 5.596 14.971 ( 3.397 0.000 4.254) 5.444 15.059 ( 5.177 0.000 2.040) 5.565 15.070 ( -3.613 0.000 -1.505) 3.914 15.136 ( -3.485 0.000 -6.552) 7.422 15.236 ( 4.104 0.000 3.395) 5.326 15.343 ( 0.643 0.000 -4.128) 4.178 15.455 ( -0.459 0.000 5.648) 5.667 15.574 ( 0.456 0.000 4.449) 4.472 15.632 ( -8.095 0.000 3.437) 8.794 15.652 ( -3.392 0.000 -0.735) 3.471 15.732 ( 5.995 0.000 3.853) 7.126 15.858 ( -0.039 0.000 -0.304) 0.307 15.901 ( -4.434 0.000 2.335) 5.011 16.069 ( -1.071 0.000 0.945) 1.429 16.103 ( 6.107 0.000 3.172) 6.882 16.135 ( -2.107 0.000 -0.905) 2.293 16.334 ( 4.291 0.000 4.239) 6.032 16.343 ( -0.092 0.000 2.177) 2.179 16.471 ( -0.383 0.000 -5.098) 5.112 16.553 ( -0.439 0.000 -1.491) 1.554 16.605 ( -3.136 0.000 -5.292) 6.152 17.446 ( -1.041 0.000 -5.652) 5.747 17.546 ( 5.367 0.000 2.670) 5.994 17.626 ( -0.665 0.000 -4.833) 4.879 17.806 ( 10.757 0.000 7.509) 13.119 18.260 ( -4.632 0.000 1.507) 4.871 18.347 ( -0.935 0.000 -5.354) 5.435 18.545 ( 0.487 0.000 -0.767) 0.909 18.985 ( 0.075 0.000 -1.656) 1.658 19.120 ( 8.310 0.000 -7.018) 10.877 19.501 ( 6.252 0.000 -4.797) 7.881 19.646 ( -8.042 0.000 5.373) 9.672 19.873 ( -2.593 0.000 5.168) 5.782 20.145 ( -7.126 0.000 -5.409) 8.946 20.418 ( -2.546 0.000 10.707) 11.005 20.716 ( -4.405 0.000 -3.304) 5.506 20.889 ( 9.224 0.000 -6.286) 11.163 21.035 ( 0.584 0.000 1.927) 2.014 21.162 ( 1.707 0.000 -6.420) 6.643 21.342 ( -9.522 0.000 5.249) 10.873 21.402 ( -3.499 0.000 -5.417) 6.449 21.616 ( -0.223 0.000 -4.817) 4.822 21.823 ( 1.728 0.000 2.781) 3.274 22.086 ( 6.181 0.000 -1.815) 6.442 22.215 ( 2.594 0.000 7.416) 7.857 22.469 ( 0.296 0.000 8.942) 8.946 22.687 ( -9.995 0.000 -6.892) 12.141 22.874 ( 1.670 0.000 -3.863) 4.208 23.248 ( 5.738 0.000 -4.838) 7.505 24.068 ( 2.313 0.000 -0.770) 2.438 24.377 ( 5.634 0.000 -3.790) 6.790 24.595 ( -5.377 0.000 -2.318) 5.855 24.842 ( -1.322 0.000 -9.221) 9.315 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 6.060 0.000 8.151) 10.157 2.088 ( -1.261 0.000 1.008) 1.614 2.114 ( 1.836 0.000 0.205) 1.848 2.209 ( 2.142 0.000 0.762) 2.273 2.239 ( 2.869 0.000 -1.533) 3.253 2.259 ( 1.624 0.000 1.446) 2.174 2.296 ( 2.995 0.000 0.960) 3.145 2.319 ( 6.869 0.000 3.214) 7.584 2.376 ( 2.092 0.000 3.281) 3.892 2.424 ( 3.761 0.000 1.257) 3.966 2.494 ( 4.893 0.000 0.444) 4.913 2.548 ( 0.066 0.000 0.796) 0.799 2.746 ( -0.177 0.000 -0.580) 0.606 2.786 ( 0.633 0.000 4.819) 4.860 3.030 ( -1.320 0.000 2.413) 2.751 3.052 ( -0.419 0.000 -2.470) 2.506 3.099 ( -0.704 0.000 4.811) 4.862 3.152 ( 0.314 0.000 1.203) 1.243 3.238 ( 3.288 0.000 11.513) 11.973 3.414 ( -2.520 0.000 8.567) 8.930 3.486 ( 1.659 0.000 -0.956) 1.915 3.630 ( 6.472 0.000 5.851) 8.725 3.818 ( 6.797 0.000 2.532) 7.253 3.841 ( 5.482 0.000 0.652) 5.520 3.964 ( 5.198 0.000 8.465) 9.933 3.995 ( -3.061 0.000 -1.232) 3.299 4.069 ( 0.741 0.000 -9.035) 9.065 4.096 ( -10.752 0.000 -9.679) 14.467 4.233 ( 0.310 0.000 -1.923) 1.948 4.342 ( 13.456 0.000 -4.707) 14.256 4.371 ( 1.335 0.000 -8.681) 8.783 4.469 ( 9.942 0.000 6.511) 11.885 4.505 ( -5.876 0.000 -5.970) 8.377 4.585 ( -11.316 0.000 4.935) 12.345 4.853 ( -0.608 0.000 6.877) 6.904 5.167 ( -4.802 0.000 -10.575) 11.614 5.178 ( 15.385 0.000 11.045) 18.939 5.223 ( -6.712 0.000 -1.820) 6.954 5.458 ( -5.520 0.000 -0.044) 5.520 5.471 ( 4.680 0.000 2.949) 5.531 5.542 ( -10.937 0.000 -11.166) 15.630 5.552 ( 4.463 0.000 8.382) 9.496 5.645 ( 1.713 0.000 3.369) 3.779 5.647 ( -10.296 0.000 0.718) 10.321 5.773 ( -3.322 0.000 -0.774) 3.411 5.929 ( -8.083 0.000 4.860) 9.431 6.021 ( 9.155 0.000 -2.782) 9.569 6.036 ( -0.472 0.000 -0.912) 1.027 6.138 ( 2.894 0.000 -3.645) 4.654 6.270 ( 6.304 0.000 16.769) 17.915 6.341 ( -1.375 0.000 -3.993) 4.223 6.425 ( -4.229 0.000 4.722) 6.339 6.455 ( 8.324 0.000 -11.956) 14.568 6.580 ( -2.337 0.000 2.775) 3.628 6.704 ( -8.568 0.000 -3.994) 9.453 6.731 ( -5.705 0.000 -1.872) 6.004 6.871 ( -0.566 0.000 -2.014) 2.092 6.882 ( 0.637 0.000 4.180) 4.229 6.939 ( -6.436 0.000 -2.463) 6.891 6.991 ( -10.018 0.000 3.171) 10.507 7.032 ( -0.195 0.000 -0.205) 0.283 7.151 ( -6.343 0.000 -3.437) 7.214 7.215 ( 1.329 0.000 4.121) 4.330 7.282 ( 2.003 0.000 1.461) 2.479 7.299 ( 0.902 0.000 -0.487) 1.026 7.390 ( 0.412 0.000 -0.464) 0.620 7.445 ( -3.996 0.000 0.533) 4.031 7.594 ( -5.118 0.000 9.298) 10.613 7.663 ( -5.705 0.000 -4.335) 7.165 7.718 ( 1.014 0.000 -3.662) 3.800 7.741 ( 4.680 0.000 -6.587) 8.081 7.925 ( -3.312 0.000 1.513) 3.642 7.975 ( 4.469 0.000 1.243) 4.638 7.982 ( -4.164 0.000 4.257) 5.955 8.239 ( -2.460 0.000 -7.883) 8.258 8.253 ( -4.596 0.000 2.093) 5.051 8.351 ( -11.526 0.000 -8.086) 14.079 8.503 ( 3.660 0.000 -1.761) 4.062 8.550 ( -3.402 0.000 -4.086) 5.317 8.646 ( -7.522 0.000 -3.689) 8.378 8.677 ( 3.731 0.000 -0.171) 3.735 8.731 ( -0.234 0.000 -4.985) 4.991 8.828 ( 3.828 0.000 -4.208) 5.689 8.904 ( 6.091 0.000 5.513) 8.215 8.965 ( -8.238 0.000 0.085) 8.239 9.201 ( 2.762 0.000 -4.732) 5.479 9.258 ( 2.633 0.000 9.496) 9.854 9.325 ( 2.576 0.000 -2.502) 3.591 9.325 ( 4.071 0.000 -8.935) 9.819 9.510 ( 4.880 0.000 3.640) 6.088 9.579 ( 7.678 0.000 0.699) 7.710 9.654 ( -0.992 0.000 -1.529) 1.823 9.669 ( -2.692 0.000 -8.239) 8.668 9.677 ( -0.156 0.000 6.507) 6.509 9.790 ( -0.347 0.000 -2.947) 2.967 9.946 ( -1.778 0.000 3.607) 4.021 10.205 ( -6.432 0.000 -2.768) 7.003 10.262 ( -0.333 0.000 -4.507) 4.519 10.426 ( -2.870 0.000 -5.197) 5.936 10.426 ( 6.507 0.000 0.854) 6.563 10.568 ( -2.336 0.000 5.322) 5.812 10.630 ( -1.242 0.000 -1.132) 1.680 10.727 ( 2.690 0.000 1.131) 2.918 10.786 ( -6.599 0.000 2.386) 7.017 10.892 ( 3.778 0.000 14.653) 15.132 10.990 ( 7.296 0.000 5.279) 9.006 11.100 ( 3.385 0.000 -1.742) 3.807 11.110 ( -4.226 0.000 -3.698) 5.615 11.270 ( 6.258 0.000 9.278) 11.191 11.284 ( 6.869 0.000 -5.607) 8.867 11.379 ( 4.410 0.000 -5.063) 6.715 11.411 ( -0.661 0.000 7.114) 7.145 11.423 ( 2.130 0.000 1.669) 2.706 11.483 ( -5.525 0.000 -5.271) 7.636 11.539 ( -3.615 0.000 1.861) 4.066 11.759 ( 0.386 0.000 2.554) 2.583 11.816 ( 0.700 0.000 5.597) 5.641 11.817 ( -3.598 0.000 -4.538) 5.792 11.911 ( -1.469 0.000 -2.247) 2.685 12.076 ( -0.618 0.000 -1.894) 1.993 12.082 ( 2.833 0.000 -2.988) 4.118 12.211 ( -0.688 0.000 -1.243) 1.420 12.285 ( -13.822 0.000 12.908) 18.912 12.344 ( 3.115 0.000 0.010) 3.115 12.424 ( -5.447 0.000 -1.434) 5.633 12.424 ( 7.235 0.000 2.447) 7.638 12.443 ( 4.013 0.000 -2.102) 4.530 12.591 ( -10.114 0.000 -4.429) 11.041 12.711 ( -3.470 0.000 4.361) 5.573 12.843 ( 0.350 0.000 -0.788) 0.862 12.912 ( -2.706 0.000 2.673) 3.804 13.119 ( 1.843 0.000 -1.214) 2.207 13.124 ( -6.270 0.000 -4.402) 7.661 13.146 ( -0.526 0.000 -3.749) 3.786 13.276 ( 6.283 0.000 3.087) 7.000 13.356 ( 3.256 0.000 -6.261) 7.056 13.401 ( 3.323 0.000 9.434) 10.002 13.455 ( 0.095 0.000 7.565) 7.565 13.523 ( -0.663 0.000 -5.078) 5.121 13.605 ( -0.614 0.000 -2.934) 2.998 14.000 ( 5.448 0.000 -5.382) 7.658 14.048 ( -0.868 0.000 -5.684) 5.750 14.124 ( -2.594 0.000 -6.424) 6.928 14.241 ( -0.294 0.000 -6.823) 6.829 14.257 ( 2.209 0.000 4.357) 4.885 14.365 ( 2.000 0.000 1.785) 2.681 14.488 ( -0.903 0.000 0.225) 0.931 14.494 ( 5.607 0.000 12.091) 13.327 14.558 ( 2.525 0.000 -4.768) 5.396 14.753 ( 1.983 0.000 -4.400) 4.827 14.822 ( -2.699 0.000 -0.033) 2.699 14.974 ( -5.724 0.000 -3.424) 6.670 15.037 ( -0.732 0.000 2.227) 2.344 15.056 ( -3.138 0.000 4.548) 5.525 15.139 ( 2.672 0.000 1.675) 3.154 15.340 ( 4.669 0.000 -2.973) 5.535 15.361 ( 4.593 0.000 3.871) 6.006 15.472 ( -0.106 0.000 1.366) 1.370 15.526 ( -3.511 0.000 -3.375) 4.870 15.627 ( -3.468 0.000 1.002) 3.610 15.629 ( -0.169 0.000 0.250) 0.302 15.806 ( -2.580 0.000 -0.157) 2.584 15.862 ( 1.433 0.000 -0.000) 1.433 15.939 ( 5.116 0.000 7.096) 8.748 16.065 ( -1.022 0.000 0.283) 1.061 16.107 ( -3.310 0.000 2.820) 4.348 16.197 ( 0.019 0.000 3.174) 3.174 16.305 ( -3.531 0.000 -7.281) 8.092 16.379 ( 0.751 0.000 1.874) 2.019 16.485 ( 4.514 0.000 -1.367) 4.716 16.512 ( -1.627 0.000 -1.297) 2.081 16.580 ( 3.025 0.000 2.935) 4.215 17.389 ( 1.717 0.000 -3.070) 3.518 17.546 ( -1.395 0.000 -4.227) 4.451 17.657 ( 4.806 0.000 2.067) 5.232 18.039 ( 7.588 0.000 5.945) 9.640 18.213 ( -3.146 0.000 1.069) 3.322 18.313 ( 1.041 0.000 -0.930) 1.396 18.527 ( -1.708 0.000 -0.067) 1.709 18.952 ( 0.615 0.000 -4.666) 4.707 19.135 ( 4.372 0.000 -4.334) 6.156 19.486 ( 1.784 0.000 -4.729) 5.054 19.619 ( -5.571 0.000 6.224) 8.353 19.884 ( -3.188 0.000 1.486) 3.517 20.051 ( -1.306 0.000 1.264) 1.818 20.467 ( -4.888 0.000 6.517) 8.146 20.601 ( -3.393 0.000 -4.526) 5.657 20.934 ( 5.066 0.000 -3.293) 6.042 21.068 ( 0.281 0.000 2.202) 2.220 21.148 ( 3.197 0.000 -2.114) 3.833 21.263 ( -3.270 0.000 -6.004) 6.837 21.274 ( -6.152 0.000 2.911) 6.806 21.559 ( 2.740 0.000 -6.250) 6.824 21.878 ( -1.089 0.000 4.387) 4.520 22.125 ( 2.859 0.000 -3.132) 4.240 22.294 ( -2.674 0.000 2.682) 3.787 22.537 ( -2.893 0.000 5.158) 5.914 22.586 ( 2.797 0.000 1.675) 3.260 22.846 ( -1.273 0.000 -2.555) 2.855 23.286 ( 5.235 0.000 -2.215) 5.685 24.116 ( 2.946 0.000 1.552) 3.330 24.436 ( 7.105 0.000 -1.693) 7.304 24.482 ( -5.346 0.000 -1.812) 5.645 24.698 ( -4.492 0.000 -6.145) 7.612 ======================= Grid point 49 (20/96) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -1.938 0.000 -3.328) 3.851 2.053 ( -1.450 0.000 -2.333) 2.747 2.124 ( 0.147 0.000 -1.300) 1.309 2.208 ( 0.464 0.000 -2.353) 2.398 2.254 ( 0.798 0.000 -2.764) 2.877 2.273 ( -1.436 0.000 0.277) 1.462 2.277 ( 2.552 0.000 -7.892) 8.295 2.413 ( 2.732 0.000 -0.104) 2.734 2.429 ( 4.600 0.000 -1.119) 4.734 2.477 ( -1.641 0.000 1.705) 2.366 2.552 ( -0.591 0.000 1.140) 1.284 2.558 ( -2.606 0.000 5.336) 5.938 2.747 ( 0.216 0.000 -0.357) 0.418 2.809 ( -3.594 0.000 0.581) 3.641 2.934 ( -5.147 0.000 -0.305) 5.156 3.028 ( -0.806 0.000 4.753) 4.821 3.098 ( -1.334 0.000 -0.270) 1.361 3.201 ( 4.763 0.000 -3.218) 5.748 3.397 ( -8.940 0.000 1.269) 9.030 3.436 ( -2.982 0.000 5.651) 6.390 3.612 ( 2.376 0.000 3.946) 4.606 3.704 ( -5.143 0.000 -5.929) 7.849 3.754 ( -4.099 0.000 -2.441) 4.771 3.852 ( 2.464 0.000 -7.173) 7.585 3.898 ( 2.266 0.000 -2.139) 3.116 4.026 ( -2.894 0.000 5.283) 6.024 4.077 ( 6.368 0.000 6.305) 8.961 4.103 ( 1.266 0.000 0.141) 1.274 4.201 ( 1.430 0.000 -0.487) 1.510 4.383 ( 6.909 0.000 2.327) 7.290 4.416 ( 4.479 0.000 -9.377) 10.392 4.464 ( 3.171 0.000 7.031) 7.713 4.617 ( -5.138 0.000 18.158) 18.871 4.634 ( 3.286 0.000 5.378) 6.302 4.877 ( -2.450 0.000 2.028) 3.180 5.058 ( 2.554 0.000 0.016) 2.554 5.215 ( 4.337 0.000 0.889) 4.427 5.304 ( -3.498 0.000 4.304) 5.546 5.330 ( 3.252 0.000 0.489) 3.288 5.488 ( -4.092 0.000 6.013) 7.273 5.517 ( 2.510 0.000 -0.733) 2.615 5.559 ( -0.568 0.000 -1.468) 1.574 5.620 ( -4.623 0.000 -3.167) 5.603 5.696 ( 2.269 0.000 2.993) 3.755 5.765 ( -12.368 0.000 8.118) 14.795 5.849 ( -5.460 0.000 3.100) 6.279 6.071 ( 7.463 0.000 -5.854) 9.485 6.107 ( 8.622 0.000 -8.135) 11.854 6.196 ( 10.692 0.000 -6.213) 12.366 6.294 ( -12.000 0.000 -2.973) 12.363 6.337 ( 2.334 0.000 1.357) 2.700 6.400 ( -1.206 0.000 -0.077) 1.209 6.498 ( -2.627 0.000 -0.976) 2.802 6.513 ( -7.629 0.000 -0.948) 7.688 6.594 ( 5.081 0.000 -4.044) 6.494 6.685 ( 1.034 0.000 -3.703) 3.845 6.839 ( -7.029 0.000 2.491) 7.457 6.878 ( -1.428 0.000 7.947) 8.074 6.888 ( -5.730 0.000 2.709) 6.338 6.990 ( 1.609 0.000 -1.503) 2.202 7.010 ( -5.825 0.000 -2.957) 6.533 7.047 ( 0.217 0.000 -7.186) 7.189 7.149 ( 0.437 0.000 -5.867) 5.883 7.278 ( -3.143 0.000 -2.152) 3.809 7.282 ( -0.811 0.000 -3.758) 3.845 7.415 ( 10.803 0.000 9.222) 14.204 7.416 ( -2.822 0.000 1.376) 3.140 7.545 ( -4.498 0.000 -0.929) 4.593 7.556 ( -2.852 0.000 5.070) 5.817 7.707 ( 2.516 0.000 6.878) 7.323 7.781 ( 2.651 0.000 -2.447) 3.608 7.946 ( -3.040 0.000 0.879) 3.164 7.989 ( -4.405 0.000 2.965) 5.310 8.058 ( -1.883 0.000 -4.291) 4.686 8.154 ( 1.064 0.000 1.159) 1.573 8.196 ( 3.813 0.000 1.468) 4.085 8.261 ( -0.644 0.000 3.371) 3.432 8.490 ( 1.795 0.000 0.263) 1.814 8.536 ( 1.651 0.000 -4.847) 5.121 8.546 ( 2.928 0.000 1.168) 3.153 8.683 ( 2.264 0.000 -4.293) 4.853 8.723 ( 1.852 0.000 2.277) 2.936 8.850 ( 2.047 0.000 -1.442) 2.504 8.901 ( -4.956 0.000 6.032) 7.807 9.086 ( 1.289 0.000 7.719) 7.826 9.201 ( 0.391 0.000 -10.456) 10.464 9.210 ( 3.003 0.000 -2.310) 3.789 9.316 ( 1.609 0.000 2.186) 2.714 9.345 ( -1.813 0.000 -3.587) 4.019 9.550 ( 0.214 0.000 3.405) 3.412 9.583 ( 0.585 0.000 -4.475) 4.513 9.654 ( -0.940 0.000 -5.787) 5.862 9.695 ( -4.406 0.000 6.232) 7.632 9.805 ( 8.388 0.000 5.477) 10.018 9.836 ( 10.182 0.000 12.860) 16.403 9.967 ( -3.286 0.000 3.431) 4.751 10.045 ( -8.301 0.000 -1.872) 8.510 10.300 ( -0.440 0.000 -7.420) 7.433 10.320 ( 10.629 0.000 -6.010) 12.210 10.477 ( 1.298 0.000 -3.768) 3.985 10.564 ( -1.132 0.000 -0.487) 1.232 10.637 ( -1.282 0.000 0.127) 1.288 10.733 ( 0.002 0.000 2.606) 2.606 10.758 ( -1.006 0.000 1.238) 1.596 10.908 ( -8.710 0.000 -8.386) 12.091 10.986 ( -8.279 0.000 -0.068) 8.279 11.148 ( 3.536 0.000 5.732) 6.735 11.154 ( 0.497 0.000 -1.374) 1.461 11.203 ( 5.939 0.000 -8.989) 10.774 11.322 ( -5.911 0.000 -6.245) 8.599 11.407 ( -5.038 0.000 0.696) 5.086 11.415 ( 1.052 0.000 3.089) 3.263 11.459 ( 8.670 0.000 -7.711) 11.603 11.531 ( 0.181 0.000 1.776) 1.786 11.533 ( 10.949 0.000 -0.746) 10.974 11.705 ( 0.674 0.000 0.755) 1.012 11.798 ( -6.779 0.000 -4.958) 8.398 11.816 ( 0.261 0.000 -1.695) 1.715 11.831 ( -5.348 0.000 -1.469) 5.547 11.971 ( -1.760 0.000 -10.937) 11.078 12.079 ( -11.038 0.000 -3.698) 11.641 12.091 ( 1.804 0.000 -1.583) 2.400 12.214 ( 1.210 0.000 1.116) 1.646 12.358 ( -3.017 0.000 1.404) 3.328 12.430 ( 2.692 0.000 4.515) 5.257 12.446 ( 4.846 0.000 -7.176) 8.659 12.480 ( -0.409 0.000 -1.118) 1.190 12.532 ( 1.181 0.000 1.128) 1.633 12.674 ( -5.336 0.000 -4.520) 6.993 12.833 ( -9.371 0.000 5.015) 10.629 12.900 ( 0.222 0.000 4.223) 4.229 12.976 ( 3.873 0.000 -0.182) 3.878 13.160 ( -1.298 0.000 -1.623) 2.078 13.213 ( 6.186 0.000 -4.016) 7.375 13.290 ( -1.336 0.000 -1.425) 1.953 13.337 ( 1.512 0.000 1.679) 2.259 13.493 ( -0.195 0.000 1.269) 1.284 13.531 ( -2.062 0.000 4.921) 5.335 13.531 ( 1.109 0.000 1.888) 2.190 13.677 ( -0.851 0.000 12.929) 12.957 14.016 ( 3.751 0.000 1.566) 4.065 14.021 ( 6.745 0.000 -5.911) 8.968 14.074 ( 1.851 0.000 1.586) 2.437 14.220 ( 2.472 0.000 -2.592) 3.582 14.282 ( -3.043 0.000 -0.522) 3.087 14.432 ( -0.043 0.000 7.545) 7.545 14.467 ( -1.629 0.000 -5.275) 5.521 14.569 ( 5.615 0.000 2.648) 6.208 14.706 ( -2.252 0.000 5.499) 5.942 14.724 ( 0.279 0.000 1.699) 1.721 14.755 ( 1.064 0.000 -0.341) 1.117 14.888 ( -0.404 0.000 -2.308) 2.343 15.015 ( -2.438 0.000 -1.141) 2.692 15.098 ( -3.525 0.000 8.416) 9.124 15.178 ( -0.286 0.000 2.197) 2.215 15.384 ( 4.492 0.000 -2.444) 5.114 15.416 ( 1.087 0.000 -2.107) 2.371 15.451 ( 1.484 0.000 -5.165) 5.374 15.476 ( -1.330 0.000 -2.223) 2.590 15.573 ( -3.578 0.000 -0.661) 3.638 15.582 ( -0.958 0.000 -3.128) 3.272 15.751 ( -1.046 0.000 -4.429) 4.551 15.891 ( 1.332 0.000 0.052) 1.333 16.015 ( -4.423 0.000 -4.609) 6.389 16.062 ( -0.357 0.000 1.913) 1.946 16.103 ( -3.173 0.000 4.111) 5.193 16.161 ( -0.323 0.000 0.746) 0.813 16.295 ( 4.485 0.000 7.089) 8.389 16.364 ( -1.294 0.000 -3.414) 3.651 16.526 ( 0.529 0.000 4.865) 4.893 16.549 ( 2.021 0.000 0.602) 2.108 16.627 ( -0.725 0.000 -0.046) 0.726 17.427 ( 2.464 0.000 2.615) 3.593 17.522 ( 2.075 0.000 1.453) 2.533 17.708 ( 0.511 0.000 -1.074) 1.190 18.124 ( -1.109 0.000 -1.351) 1.748 18.205 ( -1.318 0.000 2.861) 3.150 18.337 ( 1.289 0.000 1.680) 2.118 18.519 ( -0.869 0.000 2.638) 2.778 18.889 ( 2.252 0.000 -8.217) 8.520 19.166 ( 3.509 0.000 0.562) 3.554 19.501 ( 3.520 0.000 2.214) 4.158 19.638 ( -3.865 0.000 7.715) 8.629 19.844 ( -1.611 0.000 -0.307) 1.640 20.061 ( -1.819 0.000 0.647) 1.931 20.453 ( -5.681 0.000 3.845) 6.860 20.550 ( 1.939 0.000 -0.597) 2.029 20.967 ( 3.027 0.000 -0.480) 3.065 21.054 ( -1.318 0.000 -3.009) 3.285 21.170 ( 0.107 0.000 0.375) 0.391 21.248 ( -1.510 0.000 2.381) 2.819 21.252 ( 2.881 0.000 5.342) 6.069 21.548 ( 6.198 0.000 -6.386) 8.900 21.898 ( -4.104 0.000 5.333) 6.729 22.105 ( 1.332 0.000 -4.696) 4.881 22.242 ( -2.925 0.000 -1.862) 3.467 22.526 ( -4.152 0.000 1.895) 4.564 22.731 ( 8.473 0.000 2.703) 8.893 22.755 ( -6.513 0.000 -0.721) 6.552 23.333 ( 3.303 0.000 -1.043) 3.464 24.157 ( -0.343 0.000 0.374) 0.507 24.433 ( -0.604 0.000 2.228) 2.308 24.507 ( 1.874 0.000 -4.742) 5.099 24.608 ( 2.942 0.000 1.160) 3.162 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -13.055 0.000 -12.664) 18.188 1.943 ( -4.477 0.000 -12.241) 13.034 2.075 ( -2.733 0.000 -2.364) 3.614 2.162 ( -2.749 0.000 -6.821) 7.354 2.178 ( -0.832 0.000 -3.335) 3.437 2.210 ( 1.383 0.000 -6.841) 6.979 2.258 ( -1.410 0.000 1.329) 1.938 2.396 ( -2.736 0.000 -3.256) 4.253 2.473 ( -3.640 0.000 7.840) 8.644 2.481 ( 0.226 0.000 1.675) 1.690 2.548 ( -1.911 0.000 0.359) 1.944 2.554 ( -4.063 0.000 3.247) 5.201 2.732 ( -4.909 0.000 -0.282) 4.917 2.744 ( 0.227 0.000 -0.191) 0.297 2.948 ( 6.231 0.000 -1.186) 6.343 3.035 ( -4.495 0.000 -6.150) 7.618 3.113 ( -0.364 0.000 3.975) 3.992 3.211 ( -4.991 0.000 -2.376) 5.527 3.230 ( -13.072 0.000 -0.165) 13.073 3.265 ( 1.353 0.000 1.853) 2.294 3.486 ( -7.872 0.000 -12.590) 14.848 3.605 ( -4.879 0.000 5.241) 7.160 3.757 ( 2.846 0.000 -1.930) 3.439 3.774 ( -0.290 0.000 -6.624) 6.631 3.940 ( 0.712 0.000 -3.599) 3.669 3.984 ( -6.218 0.000 0.983) 6.295 4.144 ( 2.605 0.000 -5.344) 5.945 4.226 ( -1.833 0.000 0.813) 2.005 4.302 ( 6.523 0.000 6.611) 9.287 4.319 ( 5.629 0.000 -1.297) 5.777 4.502 ( 4.719 0.000 5.695) 7.396 4.665 ( -11.228 0.000 2.411) 11.484 4.754 ( 0.492 0.000 18.659) 18.665 4.770 ( -16.198 0.000 -7.236) 17.741 4.840 ( 1.750 0.000 26.416) 26.474 5.107 ( -20.939 0.000 -13.329) 24.821 5.169 ( 4.301 0.000 7.197) 8.384 5.293 ( 11.406 0.000 -2.851) 11.757 5.411 ( -2.015 0.000 2.116) 2.922 5.454 ( -4.477 0.000 0.247) 4.484 5.597 ( 2.462 0.000 -2.735) 3.680 5.623 ( 3.458 0.000 11.770) 12.268 5.671 ( -6.349 0.000 8.813) 10.862 5.672 ( 12.645 0.000 14.753) 19.431 5.778 ( 1.716 0.000 1.283) 2.143 5.809 ( 0.879 0.000 -5.346) 5.418 6.025 ( 0.607 0.000 -0.994) 1.164 6.079 ( 4.612 0.000 -7.173) 8.528 6.096 ( -16.461 0.000 0.224) 16.462 6.152 ( 0.056 0.000 -8.018) 8.018 6.254 ( 2.552 0.000 -3.961) 4.712 6.441 ( 3.965 0.000 4.931) 6.328 6.532 ( 8.270 0.000 -1.791) 8.461 6.547 ( -0.363 0.000 -0.915) 0.985 6.635 ( 3.561 0.000 -2.918) 4.604 6.703 ( 12.980 0.000 -5.264) 14.007 6.825 ( -0.868 0.000 8.628) 8.672 6.861 ( -13.062 0.000 -5.043) 14.002 6.924 ( -1.220 0.000 -2.868) 3.117 6.942 ( 1.471 0.000 6.556) 6.718 7.015 ( -1.395 0.000 -3.029) 3.335 7.030 ( 9.727 0.000 -0.844) 9.764 7.071 ( 5.229 0.000 2.503) 5.797 7.239 ( -0.445 0.000 -0.830) 0.941 7.261 ( 4.832 0.000 3.893) 6.205 7.358 ( -1.345 0.000 1.429) 1.963 7.534 ( -5.275 0.000 3.199) 6.169 7.605 ( 2.165 0.000 9.401) 9.647 7.611 ( -2.746 0.000 -2.151) 3.488 7.771 ( 3.120 0.000 -1.994) 3.703 7.874 ( 7.761 0.000 1.826) 7.973 7.920 ( -2.377 0.000 4.550) 5.133 7.948 ( -2.815 0.000 3.006) 4.119 8.067 ( -3.894 0.000 -2.116) 4.431 8.130 ( 9.108 0.000 -0.128) 9.109 8.305 ( 2.560 0.000 -1.739) 3.095 8.370 ( 8.465 0.000 1.930) 8.682 8.506 ( 0.747 0.000 -1.704) 1.861 8.543 ( 8.049 0.000 -2.814) 8.527 8.680 ( 2.120 0.000 -2.060) 2.956 8.699 ( 1.794 0.000 9.321) 9.492 8.765 ( -0.026 0.000 2.877) 2.877 8.835 ( 0.215 0.000 -0.407) 0.461 8.935 ( -3.159 0.000 3.002) 4.358 9.090 ( -0.253 0.000 2.693) 2.705 9.114 ( -0.098 0.000 -0.575) 0.584 9.263 ( 0.046 0.000 -3.412) 3.412 9.278 ( 3.091 0.000 0.753) 3.182 9.416 ( -1.405 0.000 4.146) 4.378 9.484 ( -1.965 0.000 -9.487) 9.689 9.558 ( -1.691 0.000 -2.798) 3.270 9.631 ( -5.982 0.000 -4.646) 7.575 9.705 ( 12.614 0.000 2.498) 12.859 9.855 ( -8.723 0.000 -3.311) 9.330 9.954 ( -1.161 0.000 1.911) 2.236 10.053 ( 12.787 0.000 3.440) 13.242 10.141 ( 1.301 0.000 11.400) 11.474 10.280 ( 5.113 0.000 5.617) 7.596 10.326 ( -5.739 0.000 -9.339) 10.961 10.388 ( 3.459 0.000 -6.848) 7.672 10.515 ( -2.837 0.000 -4.857) 5.625 10.627 ( -1.337 0.000 4.914) 5.093 10.679 ( -1.829 0.000 -8.118) 8.322 10.716 ( -1.642 0.000 -3.417) 3.791 10.846 ( -10.445 0.000 2.693) 10.787 10.860 ( -0.328 0.000 5.349) 5.359 10.959 ( 3.994 0.000 -18.733) 19.154 11.098 ( -7.842 0.000 -9.018) 11.951 11.189 ( -2.224 0.000 -1.063) 2.465 11.308 ( 2.328 0.000 -3.648) 4.328 11.320 ( -8.866 0.000 1.908) 9.069 11.376 ( -8.087 0.000 -0.037) 8.087 11.476 ( 3.566 0.000 -5.012) 6.151 11.491 ( -3.393 0.000 -0.932) 3.519 11.549 ( -8.489 0.000 -6.053) 10.426 11.613 ( 4.551 0.000 -6.034) 7.557 11.728 ( -3.160 0.000 -2.871) 4.269 11.774 ( 3.173 0.000 -3.990) 5.098 11.832 ( 5.631 0.000 0.453) 5.650 11.849 ( 4.951 0.000 -7.211) 8.748 12.023 ( 2.616 0.000 0.477) 2.659 12.084 ( 1.917 0.000 -3.015) 3.573 12.225 ( 0.397 0.000 -2.817) 2.845 12.326 ( -1.265 0.000 -0.840) 1.519 12.376 ( -1.402 0.000 -10.665) 10.757 12.418 ( -0.689 0.000 -3.971) 4.030 12.533 ( 1.310 0.000 5.497) 5.651 12.561 ( 0.410 0.000 -4.390) 4.410 12.596 ( 5.299 0.000 1.285) 5.453 12.799 ( -2.875 0.000 2.352) 3.715 12.892 ( -0.566 0.000 0.561) 0.797 13.025 ( -3.307 0.000 -9.284) 9.855 13.174 ( 0.355 0.000 -3.785) 3.802 13.214 ( 8.183 0.000 13.415) 15.714 13.283 ( -0.377 0.000 3.538) 3.558 13.449 ( -9.048 0.000 2.370) 9.354 13.485 ( 5.423 0.000 10.615) 11.920 13.563 ( 0.005 0.000 3.032) 3.032 13.584 ( -0.806 0.000 4.084) 4.162 13.779 ( -2.879 0.000 7.329) 7.874 14.010 ( 3.674 0.000 -11.823) 12.380 14.111 ( 6.776 0.000 -0.555) 6.799 14.170 ( -4.292 0.000 -2.997) 5.235 14.204 ( 3.689 0.000 3.963) 5.415 14.247 ( 5.326 0.000 1.665) 5.580 14.387 ( -6.563 0.000 1.811) 6.808 14.551 ( 0.910 0.000 9.691) 9.733 14.608 ( -3.471 0.000 5.184) 6.239 14.649 ( -1.237 0.000 -2.761) 3.025 14.789 ( -2.127 0.000 0.448) 2.174 14.841 ( 3.983 0.000 1.693) 4.328 14.971 ( 9.664 0.000 9.870) 13.814 14.974 ( 0.269 0.000 -2.496) 2.511 15.151 ( -4.272 0.000 9.493) 10.410 15.180 ( -2.351 0.000 0.276) 2.367 15.340 ( -5.505 0.000 -3.149) 6.342 15.376 ( 1.270 0.000 -3.474) 3.698 15.397 ( -1.371 0.000 -6.001) 6.155 15.464 ( 6.493 0.000 -5.021) 8.208 15.516 ( -1.163 0.000 -6.517) 6.620 15.521 ( -1.818 0.000 -0.901) 2.029 15.700 ( 3.403 0.000 -3.941) 5.207 15.858 ( -4.881 0.000 -4.018) 6.322 15.892 ( -0.807 0.000 0.084) 0.811 16.087 ( -0.652 0.000 1.069) 1.253 16.132 ( -0.108 0.000 5.499) 5.501 16.197 ( -1.521 0.000 2.763) 3.154 16.302 ( -0.706 0.000 -2.661) 2.753 16.429 ( -2.084 0.000 1.239) 2.425 16.549 ( 0.499 0.000 -0.337) 0.602 16.592 ( -0.457 0.000 2.915) 2.951 16.602 ( -0.394 0.000 5.535) 5.549 17.499 ( 0.963 0.000 4.604) 4.704 17.621 ( 3.568 0.000 4.529) 5.766 17.650 ( -3.668 0.000 -3.280) 4.921 17.991 ( -8.053 0.000 -6.838) 10.565 18.242 ( -0.381 0.000 4.747) 4.762 18.396 ( 1.711 0.000 4.657) 4.961 18.552 ( -0.083 0.000 2.414) 2.415 18.835 ( 4.525 0.000 -7.918) 9.120 19.256 ( 4.093 0.000 4.568) 6.134 19.632 ( 3.736 0.000 7.617) 8.484 19.676 ( -4.749 0.000 7.351) 8.752 19.807 ( -2.158 0.000 -4.210) 4.731 20.054 ( 1.665 0.000 3.888) 4.229 20.388 ( -6.643 0.000 -0.168) 6.645 20.624 ( 4.437 0.000 2.835) 5.266 21.012 ( 0.048 0.000 -1.772) 1.773 21.014 ( 1.406 0.000 1.472) 2.035 21.153 ( -1.484 0.000 -0.639) 1.616 21.289 ( 1.039 0.000 4.857) 4.966 21.402 ( 3.256 0.000 8.498) 9.100 21.563 ( 6.063 0.000 -6.572) 8.942 21.903 ( -4.435 0.000 5.800) 7.301 22.047 ( 1.979 0.000 -8.073) 8.312 22.185 ( -0.039 0.000 -4.115) 4.115 22.469 ( -4.505 0.000 -0.938) 4.601 22.648 ( -3.506 0.000 0.584) 3.555 22.893 ( 5.015 0.000 4.470) 6.718 23.354 ( 1.093 0.000 -0.477) 1.193 24.136 ( -1.537 0.000 0.695) 1.687 24.418 ( -1.364 0.000 -5.400) 5.569 24.496 ( 2.444 0.000 3.688) 4.425 24.774 ( 10.606 0.000 4.942) 11.701 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -20.655 0.000 -17.457) 27.043 1.591 ( -16.670 0.000 -17.424) 24.114 1.985 ( -6.148 0.000 -3.228) 6.944 2.033 ( -3.021 0.000 -4.110) 5.101 2.120 ( -1.479 0.000 -3.280) 3.598 2.162 ( -0.600 0.000 -0.581) 0.835 2.239 ( -4.306 0.000 1.190) 4.468 2.274 ( -8.955 0.000 -2.538) 9.307 2.491 ( -2.779 0.000 -2.848) 3.979 2.498 ( -2.140 0.000 5.296) 5.712 2.532 ( -1.035 0.000 1.063) 1.484 2.555 ( -3.440 0.000 10.619) 11.163 2.704 ( 0.498 0.000 0.420) 0.651 2.759 ( 2.420 0.000 -0.345) 2.444 2.764 ( -11.602 0.000 -7.941) 14.060 3.038 ( 3.183 0.000 2.316) 3.936 3.046 ( -11.090 0.000 -5.078) 12.197 3.162 ( -9.580 0.000 -0.439) 9.590 3.202 ( 0.443 0.000 8.125) 8.137 3.287 ( 5.539 0.000 -8.486) 10.134 3.369 ( 8.075 0.000 1.886) 8.292 3.642 ( -4.056 0.000 7.326) 8.374 3.662 ( -11.091 0.000 -12.021) 16.356 3.763 ( 7.137 0.000 -1.013) 7.208 3.784 ( -5.502 0.000 -9.803) 11.242 3.915 ( -4.280 0.000 0.007) 4.280 3.959 ( -29.075 0.000 -13.747) 32.161 4.067 ( -1.780 0.000 -2.553) 3.112 4.211 ( -4.900 0.000 0.100) 4.901 4.427 ( 2.706 0.000 -0.566) 2.764 4.449 ( 7.314 0.000 -0.010) 7.314 4.510 ( -19.699 0.000 2.735) 19.888 4.602 ( 1.546 0.000 -0.004) 1.546 4.892 ( -7.076 0.000 -1.255) 7.186 4.942 ( -2.224 0.000 17.158) 17.302 5.164 ( -1.598 0.000 11.319) 11.432 5.278 ( -3.287 0.000 11.975) 12.418 5.415 ( -5.966 0.000 5.094) 7.845 5.425 ( 5.219 0.000 2.396) 5.743 5.486 ( 4.960 0.000 6.373) 8.076 5.489 ( 0.315 0.000 -10.460) 10.464 5.624 ( -5.377 0.000 -11.940) 13.095 5.737 ( -6.056 0.000 5.102) 7.919 5.810 ( 8.416 0.000 8.173) 11.732 5.838 ( -0.558 0.000 6.508) 6.532 5.989 ( 7.854 0.000 4.246) 8.928 6.017 ( -0.628 0.000 3.901) 3.952 6.035 ( -4.518 0.000 -1.789) 4.859 6.123 ( 3.310 0.000 -2.096) 3.917 6.238 ( 13.384 0.000 2.706) 13.655 6.260 ( 1.174 0.000 -5.764) 5.882 6.275 ( -16.798 0.000 -3.363) 17.132 6.448 ( 3.791 0.000 -8.278) 9.105 6.558 ( 6.422 0.000 -9.306) 11.307 6.706 ( 9.820 0.000 9.068) 13.366 6.708 ( 1.786 0.000 1.234) 2.170 6.945 ( -1.743 0.000 4.888) 5.190 6.948 ( 7.662 0.000 13.463) 15.490 6.992 ( 5.748 0.000 9.540) 11.137 7.038 ( 6.187 0.000 1.327) 6.328 7.065 ( 2.605 0.000 -2.742) 3.783 7.162 ( 7.649 0.000 2.878) 8.172 7.182 ( 4.091 0.000 2.252) 4.670 7.306 ( 6.586 0.000 4.741) 8.115 7.372 ( 2.330 0.000 1.866) 2.985 7.481 ( 6.035 0.000 12.432) 13.819 7.493 ( -2.638 0.000 0.351) 2.661 7.543 ( -2.216 0.000 2.638) 3.446 7.842 ( 5.042 0.000 9.983) 11.184 7.874 ( 3.810 0.000 7.510) 8.422 7.906 ( -2.571 0.000 -11.022) 11.318 7.945 ( 3.719 0.000 3.011) 4.785 7.971 ( 7.279 0.000 -0.921) 7.337 8.014 ( 9.799 0.000 2.648) 10.150 8.228 ( 4.834 0.000 -8.785) 10.027 8.264 ( 1.227 0.000 -7.233) 7.337 8.465 ( 5.774 0.000 2.780) 6.409 8.510 ( 0.180 0.000 3.056) 3.061 8.608 ( -8.595 0.000 -9.178) 12.574 8.687 ( 5.166 0.000 2.128) 5.587 8.737 ( 5.913 0.000 2.306) 6.347 8.774 ( -2.611 0.000 0.823) 2.738 8.867 ( -3.606 0.000 0.249) 3.614 8.934 ( -2.039 0.000 6.032) 6.368 9.091 ( -3.398 0.000 -1.199) 3.603 9.101 ( -3.325 0.000 -2.296) 4.040 9.199 ( 0.355 0.000 -16.892) 16.895 9.237 ( -2.431 0.000 -5.322) 5.851 9.319 ( -7.700 0.000 -6.196) 9.884 9.442 ( 9.111 0.000 1.320) 9.206 9.472 ( -2.177 0.000 -5.098) 5.543 9.523 ( -0.882 0.000 0.595) 1.064 9.756 ( -0.684 0.000 -1.684) 1.818 9.832 ( -4.135 0.000 -12.803) 13.454 9.920 ( 8.995 0.000 -8.413) 12.316 10.025 ( -3.661 0.000 -14.038) 14.507 10.221 ( -8.003 0.000 -0.330) 8.010 10.256 ( -0.884 0.000 3.302) 3.418 10.344 ( 1.915 0.000 2.481) 3.134 10.383 ( 5.782 0.000 0.672) 5.821 10.523 ( -0.553 0.000 6.173) 6.197 10.637 ( 0.316 0.000 4.736) 4.747 10.669 ( 1.700 0.000 0.732) 1.851 10.689 ( -0.165 0.000 1.518) 1.527 10.717 ( -8.379 0.000 -0.535) 8.396 10.849 ( -0.296 0.000 -2.979) 2.994 10.897 ( 6.002 0.000 -4.574) 7.546 10.915 ( -4.344 0.000 -3.924) 5.854 11.084 ( -7.566 0.000 -2.427) 7.946 11.113 ( -10.683 0.000 -4.957) 11.777 11.201 ( -9.594 0.000 -0.413) 9.603 11.259 ( 0.723 0.000 -10.043) 10.069 11.406 ( -3.042 0.000 1.287) 3.303 11.410 ( -5.745 0.000 -2.204) 6.153 11.539 ( 4.434 0.000 -2.517) 5.099 11.666 ( -1.396 0.000 0.815) 1.616 11.678 ( 5.348 0.000 1.638) 5.593 11.780 ( 2.753 0.000 0.012) 2.753 11.852 ( 3.982 0.000 -4.873) 6.293 11.899 ( 7.001 0.000 -1.057) 7.080 12.072 ( -2.838 0.000 -7.190) 7.730 12.106 ( 2.662 0.000 5.649) 6.245 12.195 ( 4.729 0.000 -1.640) 5.005 12.234 ( -1.996 0.000 -3.117) 3.701 12.313 ( 5.719 0.000 -6.717) 8.822 12.359 ( 1.075 0.000 -6.690) 6.776 12.534 ( 2.237 0.000 -5.404) 5.849 12.555 ( -3.598 0.000 2.099) 4.165 12.711 ( 3.687 0.000 -1.706) 4.062 12.782 ( 1.393 0.000 3.067) 3.369 12.857 ( -5.371 0.000 -1.696) 5.632 12.901 ( 1.436 0.000 -5.321) 5.511 13.171 ( -0.501 0.000 0.979) 1.100 13.304 ( -12.461 0.000 2.309) 12.673 13.410 ( 2.080 0.000 12.568) 12.739 13.514 ( 9.425 0.000 9.494) 13.378 13.545 ( -2.230 0.000 -6.007) 6.407 13.615 ( 4.417 0.000 1.770) 4.758 13.695 ( 6.246 0.000 6.553) 9.053 13.792 ( -2.274 0.000 1.831) 2.920 13.902 ( 0.466 0.000 -2.943) 2.979 14.103 ( -3.183 0.000 -1.541) 3.536 14.186 ( 6.343 0.000 -2.710) 6.898 14.253 ( 2.681 0.000 0.364) 2.705 14.345 ( -5.828 0.000 8.004) 9.901 14.361 ( 3.985 0.000 0.329) 3.999 14.608 ( 0.184 0.000 -2.823) 2.829 14.629 ( -2.784 0.000 6.335) 6.920 14.717 ( 6.196 0.000 8.902) 10.846 14.744 ( -2.824 0.000 -1.073) 3.022 14.934 ( -1.673 0.000 -1.791) 2.450 14.939 ( 1.555 0.000 8.100) 8.248 15.088 ( -7.506 0.000 -4.242) 8.622 15.199 ( -3.760 0.000 6.973) 7.922 15.218 ( -2.071 0.000 -4.547) 4.996 15.260 ( 8.488 0.000 7.146) 11.096 15.293 ( -2.694 0.000 -6.982) 7.484 15.372 ( 2.223 0.000 0.910) 2.402 15.433 ( 0.114 0.000 -3.800) 3.802 15.489 ( 4.902 0.000 -3.494) 6.020 15.496 ( 2.187 0.000 -3.413) 4.054 15.741 ( 5.264 0.000 -2.541) 5.845 15.793 ( -3.291 0.000 3.324) 4.677 15.886 ( -2.235 0.000 3.112) 3.832 16.066 ( -2.159 0.000 -0.197) 2.168 16.132 ( -7.392 0.000 -3.101) 8.016 16.220 ( 2.246 0.000 5.235) 5.697 16.277 ( -6.983 0.000 -6.538) 9.566 16.301 ( 1.378 0.000 1.746) 2.225 16.577 ( 1.736 0.000 3.039) 3.500 16.623 ( -3.490 0.000 1.648) 3.860 16.717 ( 3.576 0.000 6.729) 7.620 17.551 ( -4.236 0.000 -2.162) 4.755 17.552 ( -0.314 0.000 2.770) 2.788 17.701 ( 1.128 0.000 2.638) 2.869 17.776 ( -8.536 0.000 -5.964) 10.413 18.298 ( -1.140 0.000 5.408) 5.527 18.506 ( 2.611 0.000 7.143) 7.605 18.563 ( -0.324 0.000 -0.005) 0.324 18.822 ( 6.166 0.000 -7.160) 9.449 19.389 ( 3.200 0.000 7.265) 7.939 19.650 ( -7.381 0.000 -5.085) 8.963 19.669 ( -6.913 0.000 5.804) 9.026 19.752 ( 1.787 0.000 1.525) 2.349 20.247 ( 8.336 0.000 12.162) 14.745 20.248 ( -7.921 0.000 -4.827) 9.276 20.715 ( 2.381 0.000 2.854) 3.717 20.954 ( -3.140 0.000 -10.088) 10.565 20.997 ( -0.142 0.000 -0.991) 1.002 21.169 ( -0.038 0.000 4.482) 4.482 21.395 ( 1.411 0.000 8.196) 8.316 21.492 ( -1.250 0.000 2.166) 2.501 21.551 ( 4.212 0.000 -7.465) 8.571 21.912 ( -4.073 0.000 5.635) 6.952 21.981 ( 3.568 0.000 -9.203) 9.871 22.126 ( -1.285 0.000 -2.436) 2.754 22.363 ( -6.759 0.000 -2.657) 7.263 22.722 ( 7.668 0.000 5.678) 9.541 22.990 ( 1.666 0.000 3.742) 4.096 23.373 ( 2.523 0.000 0.198) 2.531 24.152 ( -0.574 0.000 4.162) 4.201 24.358 ( 1.638 0.000 -4.481) 4.771 24.572 ( 3.952 0.000 0.680) 4.010 25.017 ( 13.057 0.000 5.393) 14.127 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -25.201 0.000 -13.760) 28.712 1.065 ( -30.150 0.000 -8.648) 31.366 1.748 ( -23.046 0.000 -6.400) 23.918 2.004 ( 0.816 0.000 0.526) 0.971 2.045 ( -27.253 0.000 -2.705) 27.387 2.069 ( -1.133 0.000 -0.782) 1.377 2.167 ( -2.539 0.000 -4.458) 5.131 2.187 ( -4.144 0.000 3.011) 5.123 2.287 ( -7.703 0.000 -2.709) 8.165 2.533 ( -1.524 0.000 4.290) 4.552 2.547 ( -12.442 0.000 0.576) 12.456 2.581 ( 3.318 0.000 1.293) 3.561 2.612 ( -2.827 0.000 2.429) 3.727 2.668 ( 2.268 0.000 -1.280) 2.604 2.795 ( 1.430 0.000 0.753) 1.616 2.800 ( -5.065 0.000 -2.545) 5.668 2.932 ( -6.913 0.000 4.730) 8.376 3.063 ( -3.021 0.000 5.285) 6.087 3.327 ( 3.042 0.000 -0.493) 3.082 3.400 ( 1.071 0.000 8.519) 8.586 3.462 ( -2.428 0.000 1.738) 2.986 3.505 ( 10.204 0.000 0.391) 10.212 3.630 ( -5.643 0.000 4.228) 7.051 3.631 ( -5.568 0.000 -2.683) 6.181 3.715 ( 0.016 0.000 -6.712) 6.712 3.791 ( 0.361 0.000 -0.981) 1.045 4.009 ( 7.593 0.000 10.488) 12.948 4.059 ( -14.136 0.000 -2.347) 14.329 4.078 ( 6.496 0.000 -4.077) 7.669 4.273 ( -10.733 0.000 -1.323) 10.814 4.328 ( -8.287 0.000 -8.532) 11.895 4.495 ( 3.966 0.000 -6.058) 7.241 4.613 ( 2.138 0.000 -0.466) 2.189 4.751 ( -6.516 0.000 -5.389) 8.456 5.061 ( -3.513 0.000 5.185) 6.263 5.079 ( -10.332 0.000 0.705) 10.357 5.341 ( -9.111 0.000 -0.511) 9.125 5.408 ( 1.077 0.000 -4.398) 4.528 5.423 ( 0.910 0.000 5.838) 5.908 5.461 ( -1.839 0.000 -2.641) 3.218 5.498 ( 3.145 0.000 4.683) 5.642 5.618 ( 1.927 0.000 5.020) 5.377 5.634 ( -12.146 0.000 -2.403) 12.381 5.804 ( -11.842 0.000 -3.512) 12.352 5.924 ( -1.280 0.000 9.757) 9.841 5.942 ( -7.026 0.000 2.072) 7.325 5.953 ( -2.719 0.000 2.112) 3.443 6.080 ( 2.954 0.000 2.038) 3.588 6.152 ( 4.768 0.000 6.534) 8.089 6.240 ( 0.477 0.000 -1.392) 1.471 6.354 ( 5.761 0.000 2.210) 6.170 6.359 ( 5.917 0.000 -3.278) 6.764 6.506 ( 11.313 0.000 -1.674) 11.437 6.559 ( 6.135 0.000 -2.377) 6.580 6.767 ( 1.718 0.000 1.189) 2.089 6.992 ( 6.825 0.000 0.245) 6.829 7.028 ( -0.377 0.000 5.582) 5.595 7.036 ( 0.998 0.000 7.789) 7.853 7.126 ( 1.707 0.000 0.740) 1.860 7.133 ( 4.349 0.000 0.820) 4.426 7.200 ( 6.467 0.000 8.719) 10.856 7.249 ( 3.253 0.000 0.208) 3.260 7.366 ( -3.763 0.000 -3.571) 5.187 7.406 ( 14.047 0.000 7.387) 15.871 7.452 ( 1.681 0.000 7.642) 7.825 7.483 ( 1.389 0.000 -1.887) 2.343 7.566 ( 0.376 0.000 0.865) 0.944 7.711 ( 3.568 0.000 -2.295) 4.242 7.750 ( -1.386 0.000 -8.216) 8.332 7.918 ( 6.782 0.000 13.584) 15.183 8.017 ( 2.803 0.000 5.368) 6.055 8.062 ( 8.792 0.000 4.574) 9.911 8.084 ( -4.279 0.000 -19.724) 20.182 8.119 ( -0.328 0.000 -11.638) 11.643 8.126 ( 15.082 0.000 0.782) 15.103 8.329 ( -4.805 0.000 -6.247) 7.881 8.397 ( 12.366 0.000 14.059) 18.724 8.515 ( -4.471 0.000 -8.155) 9.300 8.587 ( -3.410 0.000 3.046) 4.572 8.723 ( 0.345 0.000 -6.034) 6.044 8.725 ( -2.463 0.000 2.441) 3.467 8.798 ( 6.924 0.000 0.616) 6.952 8.846 ( -1.278 0.000 -11.563) 11.633 8.915 ( 0.266 0.000 -14.247) 14.249 8.946 ( 0.504 0.000 6.224) 6.245 9.042 ( -0.445 0.000 -0.856) 0.965 9.119 ( -2.037 0.000 0.837) 2.202 9.120 ( -3.459 0.000 -9.145) 9.777 9.152 ( 1.740 0.000 -0.058) 1.741 9.371 ( -0.869 0.000 -4.978) 5.054 9.493 ( -5.968 0.000 -1.681) 6.200 9.569 ( 3.381 0.000 -5.293) 6.280 9.649 ( -2.599 0.000 -5.417) 6.008 9.731 ( 1.863 0.000 -9.269) 9.454 9.734 ( 3.947 0.000 -8.403) 9.284 9.940 ( 3.541 0.000 -7.053) 7.892 9.996 ( -8.082 0.000 -8.774) 11.929 10.278 ( -3.851 0.000 12.066) 12.665 10.424 ( -3.650 0.000 -6.803) 7.720 10.432 ( -5.618 0.000 0.156) 5.620 10.476 ( -1.611 0.000 0.712) 1.761 10.577 ( -6.450 0.000 -1.305) 6.580 10.650 ( 0.983 0.000 3.518) 3.652 10.663 ( -4.086 0.000 -3.629) 5.465 10.761 ( 2.913 0.000 8.644) 9.122 10.846 ( -0.223 0.000 -4.899) 4.904 10.895 ( -2.630 0.000 0.280) 2.645 10.934 ( -9.651 0.000 7.628) 12.301 11.003 ( -1.411 0.000 0.948) 1.700 11.056 ( -2.002 0.000 1.299) 2.386 11.083 ( 8.324 0.000 5.441) 9.945 11.220 ( 10.951 0.000 -7.149) 13.078 11.263 ( -5.851 0.000 -6.536) 8.772 11.380 ( -4.792 0.000 2.666) 5.484 11.557 ( -0.260 0.000 2.706) 2.718 11.640 ( -5.434 0.000 -3.195) 6.304 11.787 ( 6.151 0.000 1.649) 6.368 11.839 ( 0.643 0.000 3.413) 3.473 11.893 ( -2.536 0.000 -6.662) 7.129 11.950 ( 6.852 0.000 6.410) 9.383 12.002 ( 6.698 0.000 -0.117) 6.699 12.169 ( -0.052 0.000 -6.223) 6.223 12.238 ( 3.995 0.000 6.114) 7.304 12.273 ( 2.072 0.000 0.743) 2.201 12.329 ( 2.985 0.000 -1.264) 3.241 12.338 ( 7.927 0.000 -2.929) 8.451 12.473 ( -0.940 0.000 -5.061) 5.147 12.517 ( -3.506 0.000 1.704) 3.898 12.663 ( -3.610 0.000 -1.540) 3.925 12.779 ( -0.698 0.000 -1.659) 1.800 12.862 ( -0.655 0.000 -2.778) 2.854 12.863 ( 1.557 0.000 -0.649) 1.687 13.154 ( -11.403 0.000 3.237) 11.854 13.226 ( 1.754 0.000 9.935) 10.089 13.429 ( 2.730 0.000 -8.548) 8.973 13.513 ( -5.844 0.000 7.869) 9.802 13.537 ( -3.582 0.000 -10.596) 11.184 13.803 ( 5.472 0.000 2.465) 6.001 13.817 ( 13.345 0.000 6.343) 14.776 13.922 ( 6.977 0.000 4.370) 8.233 13.971 ( 5.702 0.000 5.950) 8.241 14.079 ( -2.888 0.000 4.696) 5.513 14.232 ( 3.448 0.000 -2.888) 4.498 14.304 ( 6.186 0.000 -1.452) 6.354 14.377 ( -5.009 0.000 6.374) 8.107 14.382 ( 1.903 0.000 -2.061) 2.805 14.586 ( -0.189 0.000 0.027) 0.191 14.687 ( -0.365 0.000 -3.971) 3.988 14.689 ( -1.719 0.000 8.336) 8.511 14.845 ( -9.206 0.000 -2.077) 9.437 14.932 ( -4.202 0.000 -2.064) 4.682 14.946 ( 8.847 0.000 8.165) 12.039 15.034 ( -2.552 0.000 4.646) 5.301 15.167 ( -0.876 0.000 -5.583) 5.652 15.185 ( -0.174 0.000 -1.324) 1.335 15.189 ( 0.399 0.000 -0.561) 0.689 15.317 ( 2.503 0.000 -4.926) 5.526 15.377 ( -0.528 0.000 -5.770) 5.794 15.415 ( -2.311 0.000 -1.147) 2.580 15.535 ( 4.156 0.000 3.921) 5.714 15.585 ( 7.135 0.000 2.019) 7.415 15.737 ( -1.235 0.000 -1.699) 2.101 15.846 ( 0.685 0.000 5.053) 5.099 15.912 ( -5.520 0.000 10.371) 11.749 15.943 ( -7.549 0.000 -5.860) 9.556 16.053 ( 0.858 0.000 0.764) 1.149 16.143 ( -3.496 0.000 -1.950) 4.004 16.308 ( 1.568 0.000 2.953) 3.344 16.368 ( 1.142 0.000 5.099) 5.225 16.542 ( -4.916 0.000 -3.291) 5.916 16.660 ( 4.158 0.000 1.972) 4.602 16.814 ( 0.671 0.000 3.183) 3.253 17.492 ( -2.761 0.000 1.904) 3.354 17.566 ( -0.994 0.000 1.656) 1.932 17.619 ( -5.662 0.000 -2.114) 6.044 17.726 ( -0.753 0.000 1.166) 1.388 18.334 ( -2.995 0.000 5.023) 5.848 18.549 ( -0.312 0.000 -1.236) 1.275 18.626 ( 1.710 0.000 5.785) 6.033 18.828 ( 8.131 0.000 -9.154) 12.244 19.470 ( -5.665 0.000 -6.634) 8.724 19.494 ( -5.389 0.000 9.635) 11.040 19.657 ( -1.015 0.000 4.215) 4.335 19.766 ( -0.856 0.000 0.255) 0.894 20.044 ( -8.163 0.000 -8.381) 11.699 20.524 ( 6.786 0.000 11.997) 13.784 20.687 ( -4.794 0.000 -23.904) 24.380 20.749 ( -0.661 0.000 0.185) 0.686 20.986 ( -1.266 0.000 0.972) 1.596 21.211 ( -0.892 0.000 2.064) 2.248 21.450 ( -0.610 0.000 -4.379) 4.422 21.469 ( -0.072 0.000 -1.259) 1.261 21.534 ( 0.637 0.000 1.250) 1.403 21.912 ( 2.973 0.000 -8.525) 9.028 21.919 ( -3.703 0.000 4.450) 5.790 22.115 ( -1.904 0.000 3.589) 4.063 22.238 ( -7.532 0.000 2.671) 7.992 22.920 ( 5.200 0.000 4.815) 7.087 23.072 ( 7.105 0.000 1.486) 7.259 23.440 ( 6.406 0.000 -0.682) 6.442 24.208 ( -1.096 0.000 5.942) 6.042 24.348 ( 3.197 0.000 -3.038) 4.410 24.623 ( 4.935 0.000 -3.300) 5.936 25.256 ( 14.614 0.000 -3.487) 15.024 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -22.027 0.000 18.498) 28.764 0.634 ( -32.520 0.000 21.301) 38.876 1.035 ( -56.831 0.000 20.546) 60.431 1.748 ( -8.066 0.000 3.781) 8.908 2.012 ( 0.801 0.000 -0.830) 1.154 2.067 ( -1.860 0.000 3.173) 3.678 2.120 ( -0.068 0.000 0.567) 0.571 2.224 ( 0.445 0.000 4.356) 4.378 2.316 ( -1.121 0.000 3.787) 3.950 2.486 ( -5.765 0.000 10.110) 11.639 2.511 ( -5.164 0.000 -0.400) 5.179 2.638 ( 3.363 0.000 -0.571) 3.411 2.659 ( 0.703 0.000 6.290) 6.329 2.726 ( -4.049 0.000 -0.517) 4.082 2.785 ( 6.333 0.000 7.358) 9.708 2.796 ( -0.747 0.000 -0.806) 1.098 2.949 ( -3.794 0.000 6.758) 7.750 3.125 ( -3.474 0.000 7.780) 8.520 3.309 ( -6.034 0.000 -2.848) 6.672 3.314 ( -6.159 0.000 -0.143) 6.160 3.474 ( 1.679 0.000 11.452) 11.574 3.538 ( -3.972 0.000 0.653) 4.025 3.543 ( 1.233 0.000 -2.858) 3.112 3.757 ( 9.987 0.000 2.985) 10.423 3.787 ( 3.272 0.000 5.976) 6.813 3.844 ( 2.802 0.000 2.536) 3.779 3.963 ( 1.857 0.000 4.698) 5.051 4.024 ( -0.337 0.000 -7.352) 7.360 4.070 ( -9.771 0.000 -9.925) 13.928 4.121 ( -8.373 0.000 9.609) 12.745 4.280 ( 10.029 0.000 4.127) 10.845 4.485 ( 5.643 0.000 -6.612) 8.693 4.584 ( -3.352 0.000 -2.226) 4.024 4.593 ( -2.357 0.000 -7.200) 7.576 4.964 ( -1.315 0.000 0.625) 1.456 5.045 ( -6.381 0.000 3.768) 7.411 5.150 ( -7.346 0.000 -19.913) 21.225 5.359 ( -6.396 0.000 1.122) 6.494 5.396 ( -0.760 0.000 -3.471) 3.553 5.456 ( 0.600 0.000 -1.604) 1.713 5.495 ( -2.810 0.000 5.116) 5.837 5.547 ( -2.069 0.000 0.170) 2.076 5.687 ( -8.289 0.000 4.277) 9.327 5.754 ( 6.359 0.000 5.402) 8.344 5.860 ( -5.054 0.000 -0.076) 5.055 5.904 ( -2.533 0.000 -0.698) 2.627 6.125 ( 3.383 0.000 -6.069) 6.948 6.137 ( 2.701 0.000 -1.100) 2.917 6.169 ( -6.784 0.000 1.252) 6.899 6.237 ( 3.004 0.000 13.268) 13.604 6.308 ( -2.298 0.000 -13.179) 13.378 6.397 ( 3.360 0.000 -2.872) 4.420 6.564 ( 1.540 0.000 1.720) 2.309 6.749 ( 6.599 0.000 7.708) 10.147 6.772 ( -11.601 0.000 -9.168) 14.786 6.854 ( -11.666 0.000 -8.102) 14.204 7.000 ( -3.630 0.000 -1.645) 3.985 7.078 ( 3.615 0.000 -0.167) 3.619 7.160 ( 3.903 0.000 0.419) 3.925 7.195 ( 0.048 0.000 -1.023) 1.024 7.235 ( 5.643 0.000 -2.819) 6.308 7.281 ( 1.346 0.000 0.387) 1.401 7.299 ( 1.041 0.000 -4.384) 4.506 7.445 ( 2.994 0.000 -9.544) 10.003 7.455 ( -0.325 0.000 -2.212) 2.236 7.575 ( 4.393 0.000 0.910) 4.487 7.610 ( -0.349 0.000 0.298) 0.459 7.730 ( 0.479 0.000 5.931) 5.950 7.772 ( 5.583 0.000 8.102) 9.839 7.833 ( -1.525 0.000 4.838) 5.073 8.013 ( 3.204 0.000 -2.929) 4.341 8.039 ( 2.605 0.000 -0.391) 2.634 8.179 ( 0.379 0.000 -15.767) 15.772 8.234 ( 7.105 0.000 0.805) 7.150 8.345 ( 13.894 0.000 14.556) 20.123 8.352 ( 6.348 0.000 -2.423) 6.795 8.420 ( -4.587 0.000 -5.414) 7.095 8.495 ( 14.941 0.000 12.694) 19.606 8.610 ( -1.477 0.000 -17.703) 17.765 8.611 ( -10.065 0.000 -6.184) 11.813 8.635 ( -4.745 0.000 4.293) 6.399 8.718 ( 0.077 0.000 -3.273) 3.274 8.843 ( 3.964 0.000 -1.564) 4.261 8.860 ( -6.937 0.000 -3.670) 7.848 8.880 ( 4.070 0.000 3.767) 5.546 8.967 ( -2.282 0.000 -5.840) 6.270 9.020 ( -9.505 0.000 5.234) 10.851 9.141 ( -2.912 0.000 -6.821) 7.417 9.279 ( 3.932 0.000 7.940) 8.860 9.396 ( -0.647 0.000 2.876) 2.948 9.417 ( -6.581 0.000 -2.809) 7.156 9.465 ( 3.701 0.000 5.761) 6.847 9.570 ( -4.292 0.000 1.946) 4.713 9.743 ( 6.854 0.000 4.139) 8.006 9.788 ( -1.960 0.000 -8.038) 8.273 9.811 ( 5.979 0.000 0.418) 5.994 9.992 ( 7.767 0.000 2.057) 8.035 10.246 ( -5.163 0.000 -5.647) 7.651 10.320 ( -5.440 0.000 -1.084) 5.547 10.401 ( -2.783 0.000 -5.267) 5.957 10.415 ( 2.319 0.000 4.841) 5.368 10.528 ( -2.158 0.000 4.425) 4.924 10.595 ( -0.004 0.000 0.358) 0.358 10.690 ( -8.059 0.000 -8.120) 11.440 10.746 ( 2.350 0.000 6.009) 6.452 10.802 ( -4.150 0.000 -1.205) 4.321 10.919 ( 2.689 0.000 8.205) 8.635 11.014 ( 6.857 0.000 8.427) 10.865 11.077 ( 3.404 0.000 8.371) 9.037 11.091 ( -4.110 0.000 -6.130) 7.380 11.158 ( -1.641 0.000 4.365) 4.664 11.211 ( 9.717 0.000 3.799) 10.433 11.366 ( 0.875 0.000 5.836) 5.901 11.385 ( 4.356 0.000 6.482) 7.810 11.408 ( -10.458 0.000 -11.326) 15.416 11.618 ( -0.292 0.000 5.691) 5.698 11.815 ( 1.578 0.000 -7.108) 7.281 11.867 ( -3.645 0.000 5.689) 6.757 11.904 ( 8.695 0.000 -0.595) 8.715 12.069 ( 3.239 0.000 0.433) 3.268 12.098 ( 1.216 0.000 -3.887) 4.072 12.158 ( 5.371 0.000 5.002) 7.340 12.260 ( -3.668 0.000 2.065) 4.209 12.333 ( 5.579 0.000 -0.562) 5.608 12.382 ( 2.388 0.000 0.904) 2.553 12.406 ( -2.238 0.000 0.270) 2.254 12.440 ( 2.235 0.000 -0.827) 2.383 12.562 ( -4.040 0.000 -5.893) 7.145 12.582 ( -2.770 0.000 15.947) 16.186 12.770 ( 0.573 0.000 -3.942) 3.984 12.839 ( 0.839 0.000 -3.124) 3.234 12.862 ( 1.491 0.000 5.651) 5.845 13.029 ( -6.364 0.000 -2.335) 6.779 13.348 ( 2.010 0.000 -8.399) 8.636 13.456 ( -2.579 0.000 5.126) 5.738 13.472 ( 5.076 0.000 0.429) 5.094 13.659 ( 15.149 0.000 32.501) 35.858 13.917 ( 4.443 0.000 1.386) 4.654 14.006 ( 4.798 0.000 -2.905) 5.609 14.024 ( 6.230 0.000 0.561) 6.255 14.043 ( -2.216 0.000 -0.923) 2.400 14.127 ( 3.492 0.000 -0.207) 3.498 14.209 ( 0.687 0.000 -5.051) 5.097 14.310 ( -8.522 0.000 0.153) 8.524 14.374 ( 0.776 0.000 -2.421) 2.542 14.436 ( 12.445 0.000 0.082) 12.445 14.580 ( -0.150 0.000 -3.903) 3.906 14.632 ( 1.155 0.000 -2.414) 2.676 14.764 ( -4.551 0.000 4.693) 6.538 14.802 ( -0.317 0.000 13.362) 13.366 14.862 ( -2.318 0.000 -0.717) 2.426 14.949 ( -2.683 0.000 -6.965) 7.464 15.088 ( 0.469 0.000 -0.550) 0.723 15.093 ( -1.675 0.000 -3.101) 3.525 15.212 ( 0.193 0.000 0.020) 0.194 15.218 ( 3.430 0.000 -3.553) 4.939 15.263 ( -0.325 0.000 -3.375) 3.391 15.330 ( 6.097 0.000 -3.291) 6.929 15.369 ( -2.564 0.000 1.928) 3.208 15.658 ( -5.273 0.000 -1.441) 5.466 15.672 ( 4.470 0.000 1.300) 4.655 15.707 ( 9.891 0.000 8.064) 12.762 15.818 ( -2.506 0.000 -1.127) 2.748 15.922 ( 0.369 0.000 4.244) 4.260 15.999 ( -4.405 0.000 18.198) 18.723 16.112 ( 3.752 0.000 4.522) 5.876 16.118 ( -0.952 0.000 2.307) 2.496 16.322 ( -0.146 0.000 -0.224) 0.267 16.408 ( -2.878 0.000 -0.374) 2.902 16.491 ( 1.971 0.000 4.683) 5.081 16.723 ( 3.402 0.000 -1.808) 3.852 16.814 ( -1.176 0.000 -1.924) 2.255 17.513 ( -1.657 0.000 0.372) 1.699 17.578 ( -1.394 0.000 3.192) 3.483 17.588 ( 2.293 0.000 5.025) 5.523 17.715 ( -1.383 0.000 -0.230) 1.402 18.339 ( -4.281 0.000 4.576) 6.266 18.529 ( -0.061 0.000 -1.385) 1.387 18.674 ( -1.103 0.000 0.452) 1.192 18.754 ( 2.332 0.000 -30.930) 31.018 19.284 ( -27.517 0.000 -23.811) 36.389 19.347 ( -0.884 0.000 -4.317) 4.407 19.751 ( 2.949 0.000 6.373) 7.022 19.757 ( -0.707 0.000 1.013) 1.236 19.886 ( 0.614 0.000 15.697) 15.709 20.253 ( -10.682 0.000 -14.089) 17.680 20.695 ( -2.960 0.000 -0.513) 3.004 20.727 ( 3.467 0.000 4.539) 5.711 20.975 ( -3.171 0.000 2.197) 3.858 21.169 ( 0.396 0.000 -6.936) 6.948 21.409 ( 3.037 0.000 -4.280) 5.248 21.473 ( 0.494 0.000 4.322) 4.350 21.513 ( -2.979 0.000 -1.826) 3.495 21.884 ( 5.091 0.000 -4.904) 7.069 21.920 ( -4.066 0.000 5.256) 6.645 22.128 ( -4.277 0.000 4.662) 6.327 22.295 ( 1.840 0.000 15.500) 15.609 22.966 ( -2.109 0.000 1.882) 2.827 23.203 ( 8.627 0.000 -3.490) 9.306 23.444 ( -1.175 0.000 -19.113) 19.149 24.241 ( -2.116 0.000 1.394) 2.534 24.372 ( 2.773 0.000 -0.714) 2.863 24.642 ( 4.541 0.000 -3.768) 5.901 25.086 ( -11.215 0.000 -46.316) 47.654 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.630 20.234 25.147) 32.282 1.051 ( 0.776 25.920 26.951) 37.401 1.602 ( -1.031 18.064 23.932) 30.002 1.695 ( 3.065 -1.877 17.755) 18.115 1.895 ( -1.475 -13.745 8.963) 16.475 2.055 ( -1.402 -2.184 2.817) 3.831 2.081 ( -0.963 0.804 4.657) 4.823 2.262 ( 0.497 4.238 -1.805) 4.633 2.326 ( -6.016 1.035 0.317) 6.113 2.433 ( -2.170 -2.946 0.381) 3.678 2.531 ( -4.518 2.368 6.039) 7.905 2.599 ( -3.937 -0.947 -5.225) 6.610 2.640 ( -1.374 0.932 -1.656) 2.345 2.757 ( -0.867 -1.429 0.863) 1.881 2.793 ( 0.845 -1.114 10.428) 10.521 2.895 ( -9.889 -4.162 -0.356) 10.735 2.968 ( 0.991 1.789 8.429) 8.674 3.090 ( -2.548 6.767 5.959) 9.370 3.195 ( -0.044 -1.676 3.225) 3.635 3.352 ( 0.287 0.594 2.346) 2.437 3.401 ( -0.352 -4.660 2.864) 5.481 3.509 ( -0.205 0.252 -5.269) 5.279 3.544 ( -0.374 1.560 -1.608) 2.272 3.674 ( -6.847 -5.206 -5.094) 9.997 3.755 ( -5.464 -3.802 -4.513) 8.042 3.865 ( -3.318 -0.677 -4.134) 5.344 3.924 ( 3.239 -2.169 -1.330) 4.119 3.997 ( -2.405 1.487 9.267) 9.689 4.055 ( 4.219 -9.029 4.035) 10.752 4.280 ( 0.626 -2.238 1.550) 2.793 4.344 ( 5.659 -26.577 9.600) 28.818 4.350 ( 0.749 -1.721 1.266) 2.264 4.453 ( 7.147 1.374 0.044) 7.278 4.533 ( 7.547 -2.096 -1.941) 8.070 4.883 ( 3.728 9.884 2.569) 10.872 5.114 ( -1.665 3.911 -4.488) 6.181 5.127 ( -1.638 -2.225 -4.124) 4.964 5.293 ( 3.112 -6.351 -4.046) 8.148 5.334 ( 0.053 1.838 -6.305) 6.567 5.501 ( -1.318 1.864 -0.155) 2.289 5.545 ( -2.324 4.939 -0.120) 5.460 5.601 ( -5.447 0.895 -1.628) 5.755 5.623 ( -2.886 2.520 5.504) 6.706 5.758 ( -1.702 1.289 -2.202) 3.067 5.852 ( -2.593 6.142 1.551) 6.845 5.980 ( -4.159 1.338 0.911) 4.463 6.012 ( 5.650 0.571 -0.218) 5.683 6.108 ( 2.245 -6.918 -0.804) 7.318 6.207 ( -2.143 2.392 -1.905) 3.734 6.336 ( 3.905 2.702 -4.637) 6.637 6.354 ( -1.312 17.061 0.226) 17.113 6.479 ( -7.001 5.911 -0.273) 9.167 6.715 ( -1.249 8.922 5.896) 10.767 6.796 ( -5.565 -2.510 6.201) 8.702 6.855 ( 5.737 -4.833 -3.513) 8.283 6.886 ( 7.310 -0.206 1.209) 7.412 7.009 ( 3.845 -0.875 -2.036) 4.438 7.118 ( -0.819 -0.664 0.185) 1.070 7.137 ( -1.274 2.514 0.462) 2.856 7.195 ( 0.594 1.572 -9.094) 9.249 7.212 ( -1.526 5.605 -4.261) 7.204 7.263 ( 0.168 1.834 -1.514) 2.384 7.356 ( 3.148 -0.725 -0.407) 3.256 7.402 ( 2.900 2.648 0.464) 3.954 7.489 ( -5.525 1.870 1.990) 6.163 7.505 ( -3.777 -5.175 -3.780) 7.439 7.549 ( -7.453 -5.950 -2.798) 9.938 7.624 ( 9.463 -5.895 2.923) 11.526 7.769 ( 7.087 -8.776 3.748) 11.886 7.880 ( -1.881 -9.535 5.497) 11.166 8.034 ( 2.867 -3.132 -1.530) 4.514 8.063 ( 1.203 -9.709 -2.941) 10.216 8.177 ( 1.923 3.049 0.584) 3.652 8.245 ( 3.244 -3.108 -0.552) 4.526 8.363 ( -2.387 0.418 -5.747) 6.237 8.382 ( -1.176 3.947 -3.567) 5.448 8.429 ( 3.100 2.246 -5.038) 6.328 8.459 ( 6.910 -2.479 4.244) 8.480 8.558 ( 0.018 -3.968 -0.899) 4.069 8.595 ( -6.932 1.867 -2.714) 7.675 8.699 ( -1.320 -1.048 -4.562) 4.863 8.714 ( -1.782 1.864 -7.302) 7.744 8.867 ( -0.191 4.939 -0.472) 4.965 8.904 ( 2.098 1.336 -0.687) 2.580 8.920 ( 4.378 -0.014 -2.230) 4.914 9.031 ( -0.350 5.168 -0.000) 5.179 9.118 ( 7.036 -1.312 -2.765) 7.673 9.142 ( 0.270 6.983 14.547) 16.139 9.240 ( -7.989 -1.492 -4.595) 9.336 9.380 ( 3.201 -4.082 -1.732) 5.469 9.420 ( 3.019 0.120 2.799) 4.119 9.487 ( 1.189 -0.548 4.099) 4.303 9.647 ( 4.317 3.106 6.628) 8.498 9.817 ( 1.635 -4.035 2.634) 5.089 9.915 ( 5.529 0.807 4.660) 7.276 9.983 ( 4.909 -0.329 8.416) 9.748 10.141 ( 1.588 2.132 0.379) 2.685 10.208 ( 1.124 -0.642 -5.210) 5.369 10.282 ( 5.087 3.458 1.619) 6.361 10.417 ( -0.213 4.092 1.853) 4.497 10.431 ( 0.821 4.574 -0.551) 4.680 10.529 ( 0.974 -7.258 3.244) 8.010 10.554 ( 1.461 3.094 4.042) 5.295 10.643 ( -0.102 -2.752 7.800) 8.272 10.760 ( 2.302 -1.869 -2.561) 3.919 10.822 ( 1.143 -3.532 3.925) 5.402 10.949 ( 4.055 0.390 -0.466) 4.100 11.018 ( -2.853 -1.699 3.125) 4.560 11.032 ( -6.728 -0.519 7.152) 9.833 11.106 ( 1.964 -3.563 -6.130) 7.357 11.147 ( -2.491 0.171 -0.000) 2.497 11.244 ( -3.327 -0.954 7.341) 8.116 11.447 ( 7.511 3.818 3.396) 9.085 11.504 ( -2.677 2.319 9.029) 9.699 11.581 ( 2.913 0.022 -0.897) 3.048 11.634 ( 1.257 2.615 1.395) 3.220 11.731 ( -4.928 -2.484 2.118) 5.911 11.896 ( -0.552 0.123 0.066) 0.569 11.909 ( 7.222 -5.510 -0.906) 9.129 11.970 ( -9.002 -17.106 13.576) 23.621 12.078 ( -0.909 0.235 -0.031) 0.939 12.126 ( -3.201 -1.925 1.265) 3.944 12.157 ( -4.371 -6.234 -0.050) 7.614 12.200 ( -3.627 -5.254 -0.261) 6.390 12.399 ( 1.684 -0.794 0.487) 1.924 12.424 ( 1.687 -0.268 4.626) 4.931 12.479 ( -1.770 3.301 1.856) 4.180 12.510 ( -11.408 2.951 6.890) 13.650 12.534 ( -2.721 -0.816 3.012) 4.140 12.654 ( 2.603 -0.878 4.581) 5.342 12.861 ( 3.954 -0.013 -0.943) 4.065 12.906 ( -3.898 -2.816 3.878) 6.177 13.024 ( -0.271 3.933 3.642) 5.367 13.312 ( -3.882 -10.035 2.949) 11.157 13.448 ( 7.041 3.771 -0.034) 7.988 13.571 ( 5.159 -1.845 3.300) 6.396 13.661 ( -18.045 1.180 0.963) 18.109 13.836 ( -4.872 0.021 -8.812) 10.069 13.910 ( -0.854 -3.417 -1.696) 3.909 13.963 ( -0.489 -2.640 -4.173) 4.962 14.013 ( 1.959 -0.918 -5.385) 5.803 14.036 ( 4.053 -1.757 -2.878) 5.272 14.177 ( 2.317 0.583 -5.313) 5.826 14.296 ( 2.408 -2.607 -6.781) 7.654 14.350 ( -2.729 1.530 -2.199) 3.824 14.373 ( -1.371 -0.715 -10.758) 10.868 14.543 ( 1.559 1.959 -4.141) 4.839 14.558 ( 2.799 1.581 -2.088) 3.833 14.689 ( -3.227 -2.452 1.373) 4.279 14.810 ( -2.201 -0.845 -4.346) 4.945 14.867 ( 2.059 4.039 1.198) 4.689 14.942 ( -2.046 8.293 -0.538) 8.559 14.995 ( 2.655 -3.906 -0.569) 4.757 15.032 ( -3.538 2.064 -3.255) 5.232 15.216 ( 0.346 -2.323 1.689) 2.893 15.259 ( 1.189 -4.568 -0.005) 4.720 15.332 ( 3.252 1.589 -0.788) 3.704 15.416 ( -2.649 5.486 -6.545) 8.941 15.467 ( 0.263 1.372 1.182) 1.830 15.618 ( 4.285 1.982 1.748) 5.035 15.659 ( 1.719 -4.777 -2.735) 5.767 15.795 ( -1.924 0.829 4.505) 4.969 15.883 ( -2.206 1.347 4.913) 5.551 15.937 ( 1.568 1.291 3.769) 4.281 16.034 ( -4.610 1.280 1.882) 5.142 16.079 ( 0.895 -5.143 3.989) 6.570 16.289 ( -4.890 1.148 -6.793) 8.449 16.305 ( -0.541 0.679 -0.895) 1.247 16.336 ( -4.585 4.130 -1.185) 6.284 16.489 ( -3.555 -3.391 2.009) 5.308 16.717 ( -1.373 2.527 -5.678) 6.365 16.766 ( 1.035 -0.330 -4.434) 4.565 17.416 ( -0.818 4.602 -4.542) 6.518 17.484 ( 0.347 -1.181 -0.450) 1.311 17.647 ( -3.685 4.888 0.460) 6.138 17.701 ( 0.394 1.214 -2.167) 2.515 18.222 ( -0.997 -3.320 6.194) 7.098 18.405 ( -1.538 -10.538 -1.878) 10.814 18.734 ( -0.441 10.589 -6.952) 12.674 18.904 ( 14.165 2.798 -6.731) 15.931 19.060 ( -0.005 3.509 1.668) 3.885 19.293 ( 0.778 -6.563 0.162) 6.611 19.794 ( -0.765 3.455 1.997) 4.064 19.817 ( -2.402 2.161 6.045) 6.854 20.067 ( 0.865 -9.130 13.062) 15.960 20.108 ( 7.908 -11.305 5.498) 14.851 20.801 ( 0.317 2.579 1.947) 3.247 20.883 ( -2.534 -1.363 -1.864) 3.429 21.105 ( 2.350 7.158 -9.010) 11.745 21.323 ( 4.627 -5.256 -5.067) 8.644 21.409 ( 4.479 9.030 -7.407) 12.509 21.512 ( -3.054 3.186 1.851) 4.786 21.645 ( 5.602 4.836 1.646) 7.581 21.862 ( 0.851 -5.604 5.728) 8.058 21.940 ( -5.711 0.940 1.856) 6.079 22.002 ( -2.312 -3.138 -1.314) 4.113 22.476 ( -7.155 9.303 3.888) 12.363 22.786 ( 2.634 -8.797 5.322) 10.613 23.202 ( 0.356 1.513 -10.222) 10.339 23.221 ( 3.022 3.806 -12.413) 13.330 24.306 ( -8.310 6.043 -12.275) 16.009 24.416 ( -3.538 3.281 -12.860) 13.736 24.745 ( 8.338 7.500 -4.565) 12.109 24.827 ( 16.887 1.859 -3.600) 17.366 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 9.586 12.313 26.148) 30.450 1.522 ( 15.342 14.023 24.817) 32.371 1.795 ( 5.249 -7.546 10.493) 13.950 1.978 ( 2.577 -2.794 5.150) 6.401 2.032 ( 5.638 -2.651 5.985) 8.639 2.086 ( 2.256 -5.369 5.477) 7.994 2.172 ( -0.105 5.898 4.821) 7.618 2.261 ( -2.946 1.091 -0.069) 3.142 2.297 ( 4.163 3.273 3.850) 6.547 2.376 ( -2.025 -2.586 -3.780) 5.008 2.482 ( -2.933 -1.798 -1.599) 3.794 2.531 ( 1.818 -1.693 0.768) 2.601 2.622 ( -4.848 4.127 -0.557) 6.391 2.788 ( -2.171 -2.550 0.726) 3.427 2.809 ( 4.071 -2.506 4.197) 6.361 2.885 ( -3.712 -5.999 5.080) 8.694 3.069 ( 0.639 6.630 10.662) 12.572 3.182 ( -0.092 5.790 9.437) 11.072 3.222 ( -7.329 2.706 -5.336) 9.461 3.426 ( 3.644 -0.192 5.514) 6.612 3.439 ( -0.082 -0.547 -1.221) 1.341 3.475 ( 5.865 -4.540 7.792) 10.758 3.554 ( 3.763 7.072 -1.265) 8.110 3.581 ( -2.513 -0.333 -0.860) 2.677 3.685 ( 5.567 -6.312 4.846) 9.712 3.802 ( 4.520 -1.037 -2.907) 5.473 3.989 ( -0.015 -3.636 7.841) 8.643 4.050 ( -3.535 4.781 5.895) 8.373 4.129 ( 2.635 -5.708 1.960) 6.585 4.223 ( -4.865 -0.502 0.759) 4.950 4.397 ( 6.345 -1.147 -4.823) 8.052 4.486 ( 2.102 -8.489 -3.540) 9.434 4.535 ( 5.406 0.137 -6.423) 8.396 4.617 ( 1.174 -7.398 6.200) 9.724 4.911 ( -4.360 6.245 -1.342) 7.734 5.033 ( -2.373 -2.586 -9.343) 9.980 5.121 ( 2.010 -4.594 1.046) 5.123 5.268 ( 2.939 1.477 -1.697) 3.701 5.329 ( 5.659 -4.033 1.297) 7.069 5.495 ( -3.672 -1.985 3.748) 5.610 5.515 ( -3.853 -2.866 3.971) 6.232 5.608 ( 4.557 -1.862 2.522) 5.531 5.719 ( 1.592 5.898 -0.701) 6.150 5.754 ( 5.434 2.875 1.654) 6.367 5.860 ( -0.108 3.639 9.372) 10.054 5.978 ( -1.130 1.352 1.155) 2.107 6.060 ( 0.544 0.248 -1.065) 1.221 6.118 ( -0.508 -7.824 -0.218) 7.844 6.160 ( -2.785 5.824 3.477) 7.333 6.271 ( -4.772 2.533 -0.058) 5.403 6.334 ( 2.441 10.872 -6.264) 12.783 6.434 ( -1.741 3.416 3.860) 5.441 6.702 ( -3.648 3.132 -8.637) 9.885 6.753 ( -6.771 4.654 4.187) 9.222 6.799 ( -5.070 2.719 -7.746) 9.649 6.882 ( -2.876 -1.115 -2.840) 4.192 6.955 ( -2.718 -2.364 -4.009) 5.390 6.958 ( -6.212 -1.694 0.805) 6.489 7.075 ( -5.385 -2.678 -2.894) 6.674 7.184 ( -1.503 1.946 -1.034) 2.667 7.199 ( -1.963 2.843 -1.638) 3.823 7.274 ( 0.523 2.769 -1.690) 3.286 7.305 ( -8.057 -4.529 -1.464) 9.358 7.371 ( 0.702 -0.165 -3.692) 3.762 7.405 ( -1.497 -1.762 -0.335) 2.336 7.508 ( 0.113 -3.788 2.533) 4.558 7.530 ( 0.055 2.663 3.254) 4.205 7.639 ( -11.130 -1.590 -6.664) 13.070 7.763 ( -0.888 -1.675 -9.076) 9.272 7.805 ( -6.769 0.606 -10.243) 12.293 7.876 ( -1.892 -4.044 -3.087) 5.428 8.087 ( -2.587 -10.778 -8.340) 13.871 8.172 ( -5.379 -0.935 -1.895) 5.780 8.209 ( 2.623 -1.771 -5.722) 6.539 8.268 ( -0.087 1.151 -0.578) 1.291 8.306 ( -1.340 -0.569 -4.052) 4.305 8.426 ( 1.012 0.801 -3.167) 3.420 8.504 ( 2.375 3.598 1.702) 4.635 8.545 ( 5.540 0.600 1.728) 5.834 8.558 ( 5.627 4.347 -2.600) 7.571 8.687 ( 2.838 -0.412 -0.017) 2.868 8.742 ( 1.818 0.820 1.440) 2.460 8.861 ( 2.634 1.142 1.523) 3.250 8.890 ( 1.343 0.464 -1.454) 2.033 8.966 ( 1.334 5.432 0.230) 5.598 9.096 ( 8.222 -0.149 -0.140) 8.224 9.140 ( -1.498 -3.146 1.748) 3.898 9.211 ( 3.788 -5.883 -0.904) 7.055 9.327 ( 1.869 2.774 5.908) 6.789 9.428 ( 4.979 0.745 3.204) 5.967 9.466 ( 4.280 -0.931 -4.565) 6.326 9.572 ( -1.773 -4.794 4.231) 6.635 9.769 ( -4.741 1.726 5.548) 7.499 9.864 ( -0.111 -1.364 8.525) 8.634 9.985 ( -3.386 1.019 -2.903) 4.575 10.049 ( 2.880 -1.578 -5.185) 6.138 10.147 ( 5.997 2.232 -5.422) 8.387 10.255 ( 3.227 3.361 6.126) 7.696 10.340 ( 3.400 4.937 4.354) 7.409 10.428 ( 1.254 1.653 -1.135) 2.365 10.513 ( -0.698 -2.107 -0.459) 2.266 10.537 ( 2.319 0.286 5.394) 5.879 10.722 ( 4.066 4.921 5.641) 8.519 10.752 ( 0.300 -6.259 8.691) 10.714 10.776 ( 5.968 -2.336 0.088) 6.410 10.885 ( -5.369 3.208 0.412) 6.268 10.910 ( -5.978 -0.083 -1.114) 6.081 10.955 ( -2.230 -1.358 5.596) 6.175 11.084 ( 6.381 1.587 5.060) 8.297 11.118 ( -6.162 4.885 9.440) 12.286 11.145 ( 0.209 -0.627 1.531) 1.668 11.314 ( -1.237 -4.222 7.649) 8.823 11.481 ( -8.501 3.856 -1.348) 9.431 11.547 ( -3.269 0.507 5.830) 6.703 11.580 ( 3.695 1.593 0.750) 4.093 11.673 ( 0.405 1.817 7.616) 7.840 11.740 ( 1.747 -5.818 4.161) 7.363 11.852 ( -4.826 -1.756 -3.708) 6.334 11.939 ( -0.412 0.256 2.598) 2.643 11.959 ( -8.010 -6.365 9.035) 13.649 12.096 ( 0.753 -2.151 0.253) 2.293 12.143 ( 4.815 2.108 0.724) 5.306 12.164 ( 0.263 -4.951 -0.019) 4.958 12.265 ( 5.885 -7.926 3.975) 10.642 12.396 ( -4.913 4.988 0.685) 7.035 12.414 ( -2.404 1.003 -0.547) 2.662 12.489 ( -0.816 1.763 4.383) 4.794 12.523 ( -5.091 -5.361 4.189) 8.497 12.564 ( 4.574 -2.049 7.031) 8.634 12.771 ( 3.565 -1.175 6.249) 7.289 12.871 ( 0.912 -1.519 -2.761) 3.280 12.940 ( 4.376 -4.175 1.279) 6.181 13.071 ( -0.138 1.088 3.920) 4.070 13.257 ( -2.465 -5.507 -3.582) 7.017 13.415 ( -12.861 0.653 -0.864) 12.906 13.518 ( -2.274 0.608 -9.287) 9.581 13.616 ( 3.937 2.250 -0.980) 4.640 13.705 ( -6.894 -4.670 -4.240) 9.344 13.823 ( -4.590 2.368 -7.542) 9.141 13.874 ( -1.146 -0.570 -6.269) 6.398 13.970 ( 5.969 -1.812 -1.822) 6.498 14.030 ( -0.490 -3.802 -0.548) 3.872 14.073 ( -2.517 8.102 -4.394) 9.555 14.207 ( -1.209 1.748 -5.879) 6.251 14.272 ( 4.649 -0.620 -9.522) 10.615 14.317 ( 6.247 -4.991 -5.139) 9.505 14.554 ( 1.002 2.055 -3.885) 4.508 14.600 ( 0.497 -1.362 1.278) 1.933 14.637 ( -2.712 1.109 -3.293) 4.408 14.730 ( 0.175 0.120 -2.741) 2.749 14.877 ( -3.217 3.997 -2.846) 5.868 14.910 ( 0.487 2.535 -0.075) 2.583 14.972 ( 3.578 5.922 1.650) 7.113 15.066 ( 3.561 -6.292 2.069) 7.520 15.177 ( -3.831 -5.483 -4.262) 7.931 15.264 ( 3.332 1.123 -6.135) 7.071 15.278 ( -3.856 0.485 2.996) 4.907 15.406 ( 0.949 -0.079 -1.746) 1.989 15.502 ( 1.425 0.527 3.470) 3.788 15.633 ( 2.451 -1.854 -1.079) 3.257 15.730 ( 1.248 1.746 2.171) 3.052 15.811 ( -6.067 3.790 4.323) 8.359 15.914 ( -1.568 -0.868 3.881) 4.275 15.931 ( -5.205 4.355 3.986) 7.871 16.016 ( 1.626 7.396 -0.599) 7.596 16.113 ( -5.336 1.101 1.358) 5.615 16.139 ( 1.983 -3.725 0.716) 4.280 16.262 ( -2.665 2.825 -0.311) 3.896 16.327 ( 0.950 0.357 0.831) 1.312 16.486 ( 0.064 -4.942 -0.222) 4.948 16.622 ( -2.219 2.966 -4.875) 6.123 16.703 ( -1.361 -0.947 -5.350) 5.601 17.451 ( 4.113 1.552 1.358) 4.601 17.551 ( 6.804 -2.904 2.800) 7.910 17.584 ( -2.354 4.492 -2.694) 5.743 17.681 ( 1.037 0.319 -2.780) 2.984 18.245 ( -2.318 -3.615 2.056) 4.761 18.344 ( -1.617 -8.156 -3.914) 9.190 18.672 ( -0.012 9.838 -3.031) 10.294 18.952 ( 2.156 -4.197 -3.427) 5.832 19.127 ( 9.054 6.279 -3.483) 11.556 19.363 ( 7.360 -6.115 -0.886) 9.610 19.756 ( -5.325 4.284 1.960) 7.110 19.869 ( -2.858 1.913 5.889) 6.820 20.231 ( 1.470 -8.825 -1.503) 9.072 20.239 ( 0.766 -4.229 12.737) 13.442 20.803 ( -3.333 0.333 -0.724) 3.427 20.818 ( 2.630 -0.573 -4.339) 5.106 21.070 ( 2.593 5.941 -3.350) 7.296 21.246 ( 0.173 -1.561 -8.552) 8.695 21.423 ( -1.621 1.532 1.036) 2.460 21.446 ( -5.616 -0.541 0.376) 5.655 21.692 ( 0.827 4.465 -0.653) 4.588 21.836 ( -3.212 1.308 -0.068) 3.469 21.987 ( 2.521 -3.064 2.152) 4.514 22.050 ( 6.504 -1.959 4.970) 8.417 22.470 ( -2.881 12.069 7.088) 14.290 22.835 ( -3.950 -6.459 0.256) 7.575 23.008 ( -3.451 2.854 -13.463) 14.188 23.173 ( 8.196 -4.663 -8.686) 12.821 24.118 ( -1.923 4.206 -4.730) 6.615 24.303 ( 0.933 -4.680 -5.387) 7.197 24.752 ( -0.071 6.698 -3.222) 7.434 24.918 ( 6.313 -1.831 -9.824) 11.820 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 9.059 8.470 16.075) 20.303 1.968 ( 6.581 2.372 12.209) 14.071 2.044 ( 7.854 0.379 6.848) 10.427 2.085 ( 7.205 -1.025 7.637) 10.550 2.131 ( 4.385 -1.230 1.351) 4.750 2.183 ( 3.492 1.748 0.721) 3.971 2.221 ( 2.799 -1.287 2.502) 3.969 2.279 ( 1.902 -0.667 1.267) 2.381 2.312 ( 1.195 -0.298 -1.610) 2.026 2.369 ( 3.092 -0.005 0.316) 3.108 2.502 ( 0.952 2.278 2.724) 3.676 2.544 ( -1.510 2.761 0.156) 3.151 2.631 ( 4.132 -4.556 3.095) 6.886 2.793 ( -1.067 -6.132 5.703) 8.441 2.816 ( 2.204 2.234 0.717) 3.219 3.018 ( 5.143 -3.050 7.026) 9.226 3.099 ( -1.417 5.013 3.044) 6.033 3.191 ( -0.055 3.179 0.988) 3.329 3.273 ( -4.173 6.697 3.275) 8.544 3.369 ( 0.939 -3.459 1.221) 3.786 3.430 ( 2.021 -2.711 -0.369) 3.402 3.499 ( -4.535 -3.398 -0.266) 5.673 3.589 ( 6.808 -0.646 -0.540) 6.860 3.763 ( 5.470 -5.067 3.528) 8.248 3.850 ( 7.575 -5.632 3.961) 10.237 3.919 ( 1.840 2.141 -3.489) 4.488 4.100 ( -1.531 -2.866 6.610) 7.366 4.163 ( 3.254 -5.037 0.886) 6.062 4.249 ( 6.079 4.906 5.240) 9.406 4.342 ( 3.634 4.792 1.149) 6.123 4.358 ( 0.156 -1.496 -3.027) 3.380 4.450 ( 13.058 3.546 9.697) 16.647 4.458 ( 5.991 0.614 -11.167) 12.687 4.689 ( -7.211 -0.573 8.593) 11.232 4.763 ( -4.840 0.278 -9.252) 10.445 4.872 ( -0.887 0.609 0.985) 1.459 5.199 ( 0.943 -7.900 1.288) 8.060 5.290 ( 1.257 -10.328 2.425) 10.683 5.370 ( -6.695 1.759 2.016) 7.210 5.499 ( 2.520 -5.321 1.191) 6.007 5.541 ( 0.518 3.884 2.081) 4.437 5.631 ( -0.537 4.071 -2.921) 5.039 5.702 ( 0.700 4.730 -1.739) 5.088 5.829 ( -5.007 -0.164 -2.737) 5.708 5.846 ( -3.497 -1.146 1.817) 4.104 5.993 ( -5.164 -2.996 0.264) 5.976 6.066 ( -2.747 -0.507 0.478) 2.834 6.083 ( -3.611 -2.110 3.214) 5.275 6.193 ( -0.410 11.075 1.292) 11.158 6.252 ( -5.738 11.231 -5.689) 13.836 6.383 ( 2.694 -3.617 -1.462) 4.741 6.498 ( 6.891 2.299 15.938) 17.515 6.518 ( -6.800 6.599 -12.527) 15.707 6.575 ( -1.209 -0.826 2.459) 2.862 6.683 ( -0.162 3.067 -8.674) 9.201 6.780 ( -3.895 2.333 3.562) 5.771 6.879 ( -8.364 -2.451 0.012) 8.716 6.903 ( -5.406 -5.088 -5.595) 9.296 7.002 ( -0.964 1.199 4.996) 5.228 7.054 ( -11.573 -9.443 -4.433) 15.581 7.133 ( -9.269 -5.145 -2.475) 10.887 7.184 ( -0.138 1.882 0.653) 1.997 7.221 ( -2.700 2.204 -0.656) 3.547 7.320 ( -3.105 0.637 -4.049) 5.142 7.379 ( -4.720 1.066 -3.085) 5.738 7.412 ( -2.560 1.778 -1.725) 3.563 7.523 ( -2.600 2.611 3.999) 5.437 7.582 ( 0.940 -0.694 2.157) 2.453 7.598 ( -3.646 0.953 -3.086) 4.870 7.664 ( 4.805 -1.043 -6.644) 8.265 7.791 ( -3.810 -8.083 -8.345) 12.227 7.892 ( -2.883 -6.058 -1.440) 6.861 8.044 ( -8.300 -0.928 -3.673) 9.123 8.105 ( -3.087 -1.256 1.650) 3.719 8.327 ( 4.355 4.387 -3.231) 6.975 8.399 ( 5.585 3.325 -7.693) 10.071 8.430 ( -0.116 0.195 3.890) 3.896 8.514 ( 1.604 -3.556 -1.967) 4.369 8.565 ( 0.585 -0.334 -0.225) 0.711 8.660 ( 2.513 0.183 -3.893) 4.638 8.694 ( -0.991 0.941 -2.805) 3.120 8.761 ( 0.364 0.984 1.040) 1.477 8.867 ( -3.475 4.028 0.622) 5.356 8.926 ( 1.862 2.925 -2.232) 4.124 9.031 ( 6.389 6.219 3.974) 9.762 9.152 ( -0.736 -2.612 3.043) 4.078 9.186 ( 0.967 -4.803 -1.743) 5.200 9.236 ( 6.091 -5.818 -3.884) 9.275 9.369 ( 3.644 -0.540 -7.606) 8.451 9.447 ( 6.206 -0.242 -4.050) 7.414 9.496 ( -1.946 -2.143 -4.013) 4.948 9.566 ( -2.919 -1.651 7.868) 8.553 9.746 ( -4.067 3.250 2.016) 5.583 9.850 ( -1.934 4.090 -3.228) 5.557 9.866 ( -2.155 -0.660 -6.830) 7.192 9.964 ( -1.645 -1.070 -6.036) 6.347 10.205 ( 8.079 2.573 -4.257) 9.487 10.370 ( 0.075 3.873 4.810) 6.176 10.456 ( -5.754 4.322 5.691) 9.175 10.494 ( 0.505 0.749 5.761) 5.831 10.524 ( -0.853 -4.851 4.839) 6.904 10.563 ( -0.003 3.719 4.984) 6.219 10.723 ( -6.373 2.586 -2.282) 7.246 10.771 ( -1.120 1.225 0.933) 1.904 10.801 ( 1.069 -1.850 5.546) 5.943 10.883 ( 1.538 -3.626 0.697) 4.000 10.977 ( 7.913 -0.177 5.414) 9.590 11.073 ( 6.360 -1.784 4.968) 8.266 11.138 ( 2.805 3.796 0.158) 4.723 11.192 ( -1.962 2.300 9.567) 10.033 11.292 ( 3.981 2.740 7.896) 9.257 11.356 ( -0.936 -1.992 1.480) 2.652 11.460 ( 0.955 -1.559 6.259) 6.520 11.486 ( -5.658 -0.469 -0.912) 5.751 11.661 ( -1.182 1.347 2.256) 2.881 11.714 ( -1.768 1.667 -1.803) 3.026 11.740 ( -5.513 -0.276 7.757) 9.521 11.854 ( 4.705 -1.932 3.816) 6.358 11.937 ( -4.974 -3.634 3.383) 7.028 11.993 ( 2.215 -2.830 -1.234) 3.800 12.133 ( 1.673 -2.353 -2.804) 4.024 12.173 ( 4.723 -0.670 4.327) 6.440 12.268 ( -3.387 1.153 0.463) 3.607 12.283 ( -1.771 5.133 10.253) 11.603 12.376 ( -1.718 1.298 -0.322) 2.177 12.398 ( -0.033 -1.903 -0.626) 2.004 12.468 ( -3.799 -0.776 3.414) 5.166 12.571 ( 0.725 -8.600 4.597) 9.778 12.714 ( 1.817 -4.951 3.943) 6.586 12.797 ( -4.796 -4.627 3.007) 7.312 12.911 ( 6.750 2.665 -3.307) 7.975 13.034 ( 9.079 -3.385 0.124) 9.690 13.145 ( 0.921 0.350 7.162) 7.229 13.192 ( -7.173 -0.941 -6.135) 9.485 13.238 ( 0.675 -0.024 0.185) 0.700 13.367 ( -1.616 -3.213 -6.804) 7.696 13.461 ( -7.458 7.214 -5.699) 11.838 13.569 ( -7.940 -0.171 -10.546) 13.202 13.672 ( 1.944 0.762 -4.690) 5.134 13.705 ( -6.379 1.987 -8.961) 11.178 14.028 ( 2.147 2.870 -3.990) 5.364 14.098 ( 5.887 -0.719 1.658) 6.158 14.112 ( 2.910 -0.323 -3.901) 4.877 14.177 ( 3.922 -1.131 0.689) 4.140 14.269 ( 7.918 3.025 -0.104) 8.477 14.347 ( 2.895 -0.472 -1.799) 3.441 14.439 ( -5.311 1.525 -7.787) 9.548 14.569 ( -2.259 -3.786 3.159) 5.424 14.593 ( 1.066 1.904 -3.012) 3.719 14.698 ( -3.703 -1.505 -6.193) 7.371 14.802 ( 0.927 1.170 2.252) 2.702 14.986 ( 2.418 -1.437 0.531) 2.862 15.021 ( -2.209 -3.263 -0.058) 3.941 15.078 ( -0.910 2.708 0.322) 2.875 15.161 ( 4.355 -4.799 1.270) 6.603 15.227 ( 2.626 6.707 -2.101) 7.503 15.324 ( 0.621 -8.126 2.713) 8.590 15.365 ( 1.736 0.226 -3.222) 3.667 15.548 ( -1.913 -0.494 1.722) 2.621 15.667 ( 2.321 -2.449 -0.832) 3.475 15.690 ( -7.636 4.725 2.050) 9.211 15.790 ( -1.626 5.728 4.537) 7.486 15.887 ( -4.102 -1.133 2.444) 4.908 15.962 ( 0.986 1.258 2.453) 2.927 16.052 ( 0.313 6.802 4.067) 7.932 16.134 ( 1.062 1.795 0.970) 2.300 16.150 ( 1.529 0.403 -0.954) 1.847 16.291 ( 2.204 -2.829 3.883) 5.286 16.358 ( 1.342 0.428 0.656) 1.554 16.456 ( 0.489 -2.804 -4.435) 5.270 16.540 ( -2.414 0.466 -2.643) 3.609 16.605 ( -2.998 -0.716 -3.668) 4.791 17.467 ( -0.311 2.453 -4.812) 5.410 17.566 ( 1.546 0.439 -1.328) 2.085 17.634 ( 3.531 1.965 -0.507) 4.073 17.774 ( 9.553 -3.299 6.333) 11.927 18.223 ( -2.842 -2.703 0.940) 4.033 18.278 ( -0.815 -5.330 -2.844) 6.096 18.642 ( -0.414 8.311 -1.808) 8.516 18.926 ( -0.432 -6.050 -2.240) 6.466 19.196 ( 7.496 7.416 -5.877) 12.071 19.446 ( 5.975 -4.879 -2.515) 8.113 19.715 ( -4.451 5.554 3.299) 7.845 19.871 ( -4.129 -1.208 3.371) 5.466 20.148 ( -5.636 1.851 -3.241) 6.760 20.365 ( -3.227 -5.652 8.548) 10.744 20.723 ( -3.137 1.109 -3.030) 4.501 20.835 ( 4.875 -4.482 -3.254) 7.379 21.066 ( 0.459 2.962 -1.398) 3.307 21.173 ( 1.872 -0.399 -4.744) 5.116 21.333 ( -7.373 -0.077 0.408) 7.385 21.392 ( -3.974 -1.095 -2.426) 4.783 21.663 ( 0.223 4.747 -3.812) 6.092 21.823 ( 0.992 -1.276 0.247) 1.635 22.095 ( 6.803 2.210 2.145) 7.468 22.204 ( 2.949 -1.295 7.101) 7.797 22.505 ( -3.506 3.384 4.030) 6.323 22.679 ( -8.504 -3.047 -3.210) 9.587 22.905 ( 3.936 5.803 -5.289) 8.783 23.204 ( 6.488 -5.266 -4.576) 9.528 24.090 ( 1.828 2.642 -0.739) 3.296 24.287 ( 2.983 -7.375 -2.191) 8.251 24.672 ( -4.012 6.029 -3.941) 8.245 24.824 ( -2.063 -2.029 -8.261) 8.753 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.654 1.795 5.377) 7.335 2.072 ( 0.298 -1.549 1.092) 1.918 2.122 ( 2.330 1.097 0.104) 2.577 2.195 ( 2.047 -1.964 0.711) 2.924 2.251 ( 2.996 1.219 0.303) 3.249 2.272 ( 3.675 2.223 1.334) 4.498 2.299 ( 4.651 -0.352 2.108) 5.119 2.326 ( 4.797 0.368 0.294) 4.821 2.353 ( 1.720 -0.650 1.454) 2.344 2.405 ( 2.957 -1.974 -0.831) 3.651 2.537 ( 0.941 1.352 -0.520) 1.727 2.566 ( -1.305 0.982 3.331) 3.710 2.729 ( 3.892 2.732 5.953) 7.618 2.856 ( -0.536 4.188 4.628) 6.265 2.987 ( 2.736 -2.614 5.842) 6.961 3.081 ( -4.923 -1.666 0.308) 5.206 3.102 ( 1.982 4.238 -0.939) 4.772 3.231 ( -0.755 8.453 0.346) 8.494 3.268 ( 4.622 1.357 9.292) 10.466 3.418 ( -2.886 -2.975 0.601) 4.188 3.470 ( 4.605 2.412 6.978) 8.702 3.553 ( 6.797 -7.053 6.289) 11.640 3.731 ( 9.412 -7.629 1.910) 12.265 3.799 ( -0.862 -7.287 -3.689) 8.213 3.921 ( 0.648 0.199 1.205) 1.383 3.997 ( 4.256 -1.318 0.713) 4.512 4.087 ( -2.999 2.806 2.522) 4.820 4.122 ( -7.633 1.906 -6.630) 10.289 4.228 ( -0.183 -0.121 -0.589) 0.628 4.342 ( 4.013 -2.508 -1.348) 4.920 4.362 ( 1.377 -2.536 -9.876) 10.289 4.397 ( 5.965 -2.145 -3.627) 7.303 4.526 ( -2.084 -0.165 -2.581) 3.321 4.561 ( -5.013 -2.082 3.429) 6.421 4.920 ( 1.892 6.344 3.534) 7.505 5.111 ( 3.027 -5.085 -5.315) 7.954 5.194 ( 8.466 1.836 9.988) 13.221 5.254 ( -5.236 3.945 0.096) 6.557 5.418 ( -0.225 -3.652 6.409) 7.380 5.483 ( -0.750 -3.490 -5.538) 6.589 5.546 ( -3.316 5.381 1.470) 6.489 5.648 ( -4.389 2.646 -1.804) 5.433 5.656 ( 1.825 7.313 5.472) 9.315 5.687 ( -2.937 2.072 0.646) 3.652 5.785 ( -2.878 1.833 1.262) 3.638 5.905 ( 0.149 -2.861 -2.739) 3.964 6.001 ( -8.080 -1.779 1.119) 8.348 6.104 ( -1.215 5.089 2.661) 5.869 6.185 ( 5.108 0.338 4.451) 6.784 6.238 ( 0.753 2.487 -1.539) 3.020 6.329 ( 1.724 1.085 3.271) 3.853 6.423 ( 5.640 0.031 -7.557) 9.430 6.511 ( -3.891 1.089 -6.374) 7.547 6.551 ( -3.372 -1.990 4.270) 5.793 6.694 ( -8.423 -0.817 -5.163) 9.913 6.720 ( -3.585 -0.968 -1.660) 4.068 6.804 ( -6.609 -6.900 0.423) 9.564 6.845 ( -2.992 -1.038 2.677) 4.147 6.874 ( -3.769 -8.923 -5.823) 11.301 6.916 ( -5.624 -8.048 3.175) 10.319 7.058 ( -2.117 3.682 -0.436) 4.270 7.170 ( -5.431 1.355 -3.161) 6.428 7.234 ( 2.147 2.450 3.634) 4.880 7.294 ( 4.188 1.822 1.727) 4.883 7.330 ( -0.570 3.047 4.861) 5.766 7.413 ( 1.458 3.166 -2.040) 4.039 7.501 ( -2.914 5.965 0.202) 6.642 7.542 ( -4.949 -2.633 2.199) 6.022 7.648 ( -0.447 -4.385 1.861) 4.785 7.695 ( 1.259 -1.921 2.494) 3.391 7.744 ( 2.807 0.075 -4.181) 5.036 7.858 ( -1.019 -4.568 3.661) 5.942 7.951 ( -0.368 1.446 0.396) 1.544 8.094 ( -1.150 1.708 -1.299) 2.434 8.212 ( -6.614 -1.159 -4.284) 7.965 8.323 ( -11.041 -1.395 -3.937) 11.804 8.335 ( -1.710 7.270 -5.595) 9.331 8.502 ( -0.187 -2.031 -4.992) 5.392 8.545 ( -0.462 1.928 -1.043) 2.240 8.609 ( -0.622 -3.120 -5.801) 6.616 8.652 ( -2.748 -2.527 -2.138) 4.302 8.722 ( 2.590 -2.818 0.127) 3.830 8.858 ( 1.736 4.996 -4.100) 6.692 8.957 ( 4.920 6.239 3.019) 8.500 9.063 ( -1.916 6.598 -1.509) 7.035 9.138 ( -0.072 -4.227 -4.242) 5.989 9.252 ( 2.737 -0.873 4.844) 5.632 9.257 ( 3.024 -4.460 -0.458) 5.408 9.322 ( 1.212 -1.582 -6.379) 6.683 9.468 ( 2.541 -6.789 0.140) 7.250 9.497 ( 5.270 -1.668 -0.569) 5.557 9.613 ( 0.778 -4.971 -0.476) 5.054 9.711 ( -1.238 3.330 2.202) 4.180 9.769 ( -1.352 3.879 -1.192) 4.278 9.844 ( -1.024 5.192 -0.161) 5.294 9.941 ( -0.296 0.291 4.474) 4.493 10.218 ( -11.213 -1.263 -4.992) 12.339 10.231 ( 4.723 -0.107 -6.103) 7.718 10.450 ( 1.348 4.798 -2.758) 5.696 10.513 ( -0.059 4.133 3.379) 5.339 10.561 ( 1.030 0.134 2.805) 2.991 10.650 ( -1.840 3.308 -1.980) 4.272 10.724 ( -0.523 0.869 5.500) 5.593 10.783 ( -2.215 1.211 4.973) 5.577 10.919 ( 8.671 -5.808 -0.276) 10.440 10.969 ( 1.647 1.578 10.663) 10.905 11.090 ( 0.549 1.981 0.735) 2.183 11.127 ( -2.049 0.286 -5.444) 5.824 11.232 ( 6.262 -2.491 1.112) 6.830 11.294 ( 0.025 -3.242 7.553) 8.220 11.327 ( 4.229 -2.994 -3.440) 6.220 11.368 ( 1.250 -0.523 -2.178) 2.565 11.460 ( 0.511 2.661 0.201) 2.717 11.503 ( -0.434 0.202 0.482) 0.679 11.608 ( -3.453 5.552 0.779) 6.584 11.726 ( -0.752 -2.588 1.917) 3.307 11.813 ( 1.652 0.606 3.010) 3.486 11.857 ( -3.300 3.363 0.487) 4.736 11.924 ( -1.632 1.878 -0.420) 2.523 11.995 ( 0.313 -5.891 -1.244) 6.029 12.136 ( 1.404 0.115 -0.740) 1.591 12.186 ( -2.727 0.758 -2.838) 4.008 12.277 ( 1.116 -8.827 3.113) 9.426 12.314 ( -8.907 -0.555 1.875) 9.119 12.348 ( -1.733 1.076 5.198) 5.584 12.430 ( 2.320 -1.385 -1.948) 3.331 12.445 ( -2.779 0.195 -3.052) 4.132 12.552 ( -0.638 -5.170 1.739) 5.492 12.720 ( -1.497 1.686 2.266) 3.197 12.815 ( -4.327 1.610 2.962) 5.485 12.959 ( 2.925 0.894 1.432) 3.377 13.078 ( -4.201 -4.810 -6.626) 9.203 13.114 ( 7.084 0.410 -0.792) 7.140 13.192 ( 0.708 0.160 -2.845) 2.937 13.265 ( -2.297 2.506 0.647) 3.461 13.383 ( 5.443 -0.615 4.912) 7.358 13.412 ( 3.328 0.770 5.732) 6.673 13.427 ( -3.956 -1.063 1.924) 4.525 13.537 ( -1.243 3.445 -6.237) 7.233 13.629 ( -0.211 1.021 -2.815) 3.002 14.005 ( 2.134 0.447 -4.469) 4.973 14.047 ( -1.118 -0.815 -5.938) 6.097 14.120 ( 1.964 1.087 -5.626) 6.058 14.241 ( 5.483 -1.767 -0.195) 5.764 14.284 ( -2.405 2.987 -3.716) 5.340 14.380 ( 2.220 1.585 2.417) 3.645 14.478 ( 3.033 0.983 7.946) 8.562 14.565 ( -1.391 5.721 0.583) 5.916 14.581 ( 2.160 3.155 -2.187) 4.405 14.652 ( 4.484 -8.249 0.200) 9.392 14.811 ( -1.524 -2.783 -1.152) 3.376 14.922 ( -5.179 -3.635 -1.615) 6.530 15.014 ( -3.235 -1.730 1.502) 3.964 15.047 ( -5.547 -2.609 2.031) 6.458 15.193 ( 1.097 2.286 0.009) 2.535 15.299 ( 6.375 1.475 -0.559) 6.567 15.351 ( 0.476 -8.236 0.810) 8.289 15.432 ( 6.690 0.997 1.442) 6.915 15.504 ( -2.128 -0.507 -2.290) 3.167 15.636 ( -3.451 3.065 1.125) 4.751 15.658 ( -0.321 0.763 -1.573) 1.778 15.780 ( -3.649 -0.915 -0.159) 3.765 15.955 ( 2.317 1.783 7.372) 7.930 15.981 ( -0.268 3.822 0.263) 3.840 16.082 ( -0.478 4.201 0.759) 4.296 16.143 ( -1.011 4.574 2.003) 5.094 16.199 ( 0.705 0.205 3.968) 4.036 16.302 ( -3.385 -0.068 -7.286) 8.035 16.353 ( 0.762 -3.105 1.099) 3.381 16.428 ( 2.326 -5.048 -1.280) 5.703 16.520 ( 0.751 0.618 -0.273) 1.010 16.572 ( 1.095 -1.133 1.887) 2.458 17.413 ( 1.217 2.605 -2.897) 4.082 17.514 ( -0.944 -2.369 -3.688) 4.484 17.740 ( 5.466 7.337 2.430) 9.467 17.989 ( 7.390 -5.102 5.536) 10.550 18.198 ( -1.918 -1.138 1.206) 2.535 18.257 ( -0.246 -4.435 0.348) 4.456 18.610 ( -1.028 7.337 -1.322) 7.526 18.884 ( 0.177 -6.643 -4.327) 7.930 19.209 ( 3.471 7.569 -3.704) 9.114 19.478 ( 3.145 -3.212 -2.169) 4.991 19.685 ( -5.363 7.381 3.229) 9.678 19.860 ( -1.778 -2.303 1.797) 3.420 20.059 ( -2.929 1.748 0.702) 3.483 20.351 ( -6.389 -10.533 2.243) 12.522 20.656 ( -1.624 4.441 -1.546) 4.975 20.865 ( 3.784 -6.566 -2.383) 7.944 21.061 ( -0.009 1.285 0.523) 1.387 21.171 ( 1.402 -1.909 -0.332) 2.392 21.239 ( -2.819 1.160 -2.817) 4.150 21.293 ( -5.379 0.376 -0.433) 5.409 21.627 ( 2.764 6.527 -4.978) 8.662 21.843 ( 0.073 -3.752 0.818) 3.841 22.182 ( 2.457 5.359 0.114) 5.897 22.286 ( -1.932 -0.810 3.034) 3.687 22.471 ( -2.686 -1.468 2.260) 3.805 22.632 ( -0.276 -2.863 3.537) 4.559 22.908 ( 2.133 9.081 -3.021) 9.805 23.246 ( 4.992 -4.894 -2.335) 7.371 24.136 ( 2.989 2.364 1.530) 4.107 24.326 ( 3.524 -7.438 -0.034) 8.230 24.567 ( -2.706 4.904 -3.257) 6.478 24.683 ( -4.474 -1.640 -5.681) 7.415 ======================= Grid point 58 (29/96) ======================= q-point: (-0.56 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -1.094 -0.187 -3.185) 3.373 2.057 ( -0.379 0.225 -2.874) 2.908 2.138 ( 0.437 1.716 -1.535) 2.344 2.196 ( 0.923 -1.174 -2.534) 2.941 2.264 ( -0.237 1.390 -2.318) 2.714 2.295 ( 0.161 2.883 -3.035) 4.189 2.324 ( 0.954 2.687 -0.684) 2.932 2.389 ( 1.071 -1.941 1.131) 2.488 2.403 ( 3.767 -0.100 -0.904) 3.875 2.466 ( 0.731 -2.413 3.367) 4.206 2.538 ( 1.627 -1.559 -0.879) 2.419 2.588 ( -2.345 0.339 4.014) 4.661 2.789 ( -6.549 3.979 -3.349) 8.363 2.828 ( 0.036 4.487 4.075) 6.061 2.928 ( -6.631 -0.917 -1.056) 6.777 3.049 ( -3.683 -0.810 5.374) 6.565 3.157 ( 2.599 6.301 -5.089) 8.507 3.197 ( 3.538 0.267 -3.868) 5.249 3.392 ( -5.502 0.592 3.236) 6.410 3.467 ( -2.972 3.738 5.420) 7.223 3.637 ( 4.602 2.031 3.227) 5.976 3.651 ( -6.801 -5.036 -5.759) 10.236 3.713 ( -0.513 -4.802 2.904) 5.635 3.779 ( 2.023 -6.838 -6.141) 9.410 3.852 ( -1.491 -0.564 -3.185) 3.562 4.010 ( 1.869 -6.318 -3.029) 7.251 4.110 ( 3.243 -3.651 4.941) 6.947 4.130 ( -3.650 6.656 4.953) 9.064 4.154 ( 3.767 -0.482 1.767) 4.189 4.342 ( 1.884 -3.293 4.846) 6.155 4.418 ( 3.608 -0.446 -7.083) 7.962 4.439 ( 5.125 -1.908 9.187) 10.692 4.558 ( -0.162 -0.637 11.548) 11.566 4.661 ( 1.383 -3.249 8.380) 9.093 4.932 ( -0.833 6.216 -0.714) 6.313 5.075 ( 3.741 -0.253 -1.351) 3.985 5.231 ( 2.344 2.967 -1.529) 4.079 5.288 ( -3.357 1.686 2.989) 4.801 5.364 ( 0.637 -0.718 -2.372) 2.559 5.437 ( -2.246 -2.030 2.675) 4.040 5.544 ( -0.904 3.203 1.280) 3.566 5.618 ( 2.195 4.835 -1.464) 5.508 5.677 ( -1.089 1.158 1.027) 1.892 5.758 ( 0.505 6.804 5.415) 8.711 5.802 ( -13.205 5.400 4.470) 14.951 5.840 ( -1.249 -0.147 -1.142) 1.699 5.992 ( 6.102 -6.987 -1.100) 9.342 6.154 ( -5.702 -1.289 -5.024) 7.708 6.176 ( 1.751 -0.168 -3.674) 4.073 6.272 ( 8.439 3.737 -2.562) 9.578 6.350 ( -2.354 -2.406 -3.249) 4.678 6.416 ( 1.269 -0.001 -3.944) 4.143 6.452 ( -3.370 -2.797 -0.226) 4.386 6.525 ( -0.604 0.874 -2.432) 2.654 6.591 ( 1.150 0.490 2.236) 2.562 6.645 ( -1.679 -3.908 -2.938) 5.170 6.732 ( -3.572 -8.794 0.952) 9.540 6.777 ( -3.468 -9.139 3.144) 10.268 6.885 ( -0.840 -1.167 7.107) 7.251 6.964 ( 0.971 -4.686 6.090) 7.745 6.992 ( -0.445 1.943 -1.829) 2.705 7.067 ( -1.554 0.820 -4.865) 5.173 7.251 ( -3.948 4.658 -7.482) 9.657 7.285 ( -3.583 7.820 -3.611) 9.329 7.313 ( -0.591 1.647 -1.499) 2.304 7.383 ( -0.518 0.281 -2.706) 2.769 7.486 ( -0.863 1.347 3.789) 4.113 7.532 ( -0.825 -4.238 -0.691) 4.373 7.609 ( -1.151 6.396 3.913) 7.586 7.726 ( 1.609 2.861 3.161) 4.557 7.735 ( 0.921 -3.131 -0.401) 3.288 7.913 ( -1.938 -2.875 1.349) 3.721 7.974 ( -3.170 -1.206 6.004) 6.896 8.081 ( 0.919 -0.532 -4.394) 4.521 8.108 ( 0.937 -0.023 -0.889) 1.292 8.207 ( 1.659 -1.385 2.576) 3.363 8.355 ( 0.860 6.951 5.226) 8.738 8.455 ( 2.577 -2.776 -0.854) 3.882 8.532 ( 2.881 0.916 -2.160) 3.715 8.561 ( 3.148 0.719 0.020) 3.230 8.686 ( 0.383 -3.079 3.179) 4.443 8.715 ( 0.687 -0.805 -4.170) 4.302 8.855 ( 1.977 4.053 -1.410) 4.725 8.999 ( -1.884 8.735 2.520) 9.285 9.107 ( 0.711 1.833 0.874) 2.151 9.128 ( 1.973 -3.818 2.418) 4.931 9.243 ( 2.068 0.002 -5.619) 5.987 9.255 ( 0.257 -3.130 0.261) 3.152 9.326 ( -0.291 -2.139 -0.223) 2.170 9.452 ( 2.074 -5.402 -1.319) 5.935 9.572 ( -0.980 -2.889 -0.348) 3.070 9.626 ( -0.845 -6.106 -2.720) 6.737 9.758 ( 1.987 4.397 5.860) 7.591 9.823 ( 5.791 1.701 8.501) 10.426 9.873 ( -0.670 1.715 11.215) 11.366 9.989 ( -0.666 -0.096 0.444) 0.806 10.031 ( -5.828 3.927 -5.454) 8.896 10.238 ( 3.742 -2.701 -4.504) 6.448 10.416 ( 3.892 4.855 -6.814) 9.227 10.504 ( 1.014 1.370 -5.243) 5.513 10.607 ( -1.658 4.428 2.464) 5.332 10.653 ( 0.368 3.620 -2.291) 4.300 10.718 ( 0.263 0.630 2.965) 3.042 10.788 ( -2.188 1.837 1.066) 3.049 10.894 ( -6.655 -1.691 -9.056) 11.365 10.972 ( -4.807 -2.103 -6.976) 8.729 11.098 ( -1.611 -5.078 1.965) 5.678 11.117 ( 4.810 -4.317 1.374) 6.607 11.225 ( 1.383 0.529 -4.357) 4.602 11.264 ( -2.514 -4.226 -4.645) 6.764 11.365 ( 1.299 -1.123 -5.149) 5.428 11.435 ( -0.267 1.739 2.886) 3.380 11.492 ( 2.931 -1.630 -2.181) 4.001 11.511 ( 4.526 1.710 -0.023) 4.838 11.604 ( 3.773 1.998 3.017) 5.228 11.692 ( 0.191 2.329 -4.750) 5.294 11.792 ( -8.221 0.858 -2.642) 8.678 11.832 ( -1.565 0.660 -2.950) 3.404 11.856 ( -4.108 2.608 0.008) 4.866 11.946 ( 1.213 -1.736 -8.237) 8.505 12.071 ( -2.358 -0.390 -5.885) 6.351 12.128 ( -6.830 -0.870 -3.849) 7.888 12.202 ( 2.329 0.883 0.974) 2.674 12.295 ( -2.699 -5.257 3.811) 7.032 12.390 ( -1.121 -2.237 5.449) 5.996 12.426 ( 3.938 -2.875 -4.435) 6.591 12.455 ( 4.958 1.339 -0.794) 5.197 12.573 ( -2.450 -0.471 1.531) 2.928 12.682 ( -2.125 2.442 -2.453) 4.062 12.792 ( -6.600 -1.954 1.035) 6.960 12.973 ( 1.976 0.313 -0.489) 2.060 13.014 ( 1.898 4.553 3.961) 6.326 13.142 ( -2.207 1.278 -1.302) 2.863 13.226 ( 5.771 -0.071 -1.770) 6.037 13.263 ( 0.581 -1.551 -0.555) 1.746 13.348 ( -2.648 -0.701 -2.079) 3.439 13.457 ( 0.993 -1.192 2.470) 2.917 13.506 ( -5.224 -0.931 4.877) 7.207 13.596 ( 3.631 3.686 2.753) 5.860 13.675 ( 0.881 -0.479 12.097) 12.139 13.998 ( 3.323 -1.140 -0.330) 3.529 14.017 ( 3.843 -0.773 -0.133) 3.923 14.111 ( 3.708 4.084 -2.012) 5.872 14.243 ( -0.403 1.263 -2.207) 2.574 14.299 ( 0.398 1.652 0.803) 1.879 14.451 ( -0.719 -0.938 2.548) 2.808 14.480 ( -0.850 4.515 -3.168) 5.581 14.552 ( 3.216 0.153 1.734) 3.657 14.686 ( 1.127 -1.857 3.911) 4.474 14.700 ( 1.048 -1.865 -0.893) 2.319 14.797 ( 1.170 -2.132 0.318) 2.453 14.843 ( -3.337 1.757 2.952) 4.789 14.945 ( -2.176 -8.158 -1.578) 8.589 15.036 ( -4.248 -4.983 6.388) 9.147 15.212 ( 0.171 2.564 1.050) 2.775 15.358 ( 1.022 -6.146 -1.260) 6.356 15.374 ( 4.414 0.703 -0.650) 4.516 15.441 ( -1.498 -1.829 -2.762) 3.635 15.518 ( 3.171 1.743 -1.778) 4.031 15.596 ( -2.753 6.475 -2.571) 7.491 15.607 ( -1.722 0.954 -2.131) 2.901 15.726 ( -0.714 -0.572 -3.245) 3.371 15.954 ( -2.174 0.194 -2.464) 3.292 16.020 ( -1.361 -5.055 -0.124) 5.236 16.065 ( -1.045 8.107 -1.843) 8.380 16.141 ( -3.063 5.449 -0.705) 6.290 16.196 ( 0.016 2.094 3.413) 4.005 16.297 ( 4.153 0.781 6.651) 7.880 16.346 ( -0.640 -2.392 -1.775) 3.046 16.484 ( 1.276 -5.749 2.314) 6.327 16.538 ( 0.595 0.551 2.678) 2.798 16.606 ( -0.629 -2.180 0.218) 2.280 17.442 ( 2.078 1.547 2.407) 3.536 17.501 ( 1.970 -1.513 1.857) 3.102 17.798 ( 0.509 8.288 -1.493) 8.436 18.074 ( -0.862 -5.196 -1.355) 5.439 18.200 ( -1.120 -0.367 2.697) 2.943 18.276 ( -0.075 -4.705 3.282) 5.737 18.595 ( 0.259 6.407 0.273) 6.418 18.829 ( 2.009 -5.748 -6.392) 8.828 19.237 ( 3.174 7.346 1.092) 8.077 19.518 ( 3.023 -3.132 2.202) 4.878 19.673 ( -3.122 7.496 5.707) 9.925 19.848 ( -1.654 0.231 0.503) 1.744 20.050 ( -1.792 -0.572 0.954) 2.109 20.305 ( -2.597 -12.146 3.116) 12.806 20.637 ( -0.083 6.094 0.362) 6.105 20.886 ( 2.047 -7.405 -1.186) 7.773 21.068 ( -0.531 2.033 0.882) 2.279 21.181 ( -0.352 -1.752 -0.163) 1.794 21.223 ( 1.705 -0.204 3.188) 3.621 21.251 ( -0.934 0.064 1.469) 1.742 21.625 ( 4.952 6.773 -4.672) 9.603 21.844 ( -1.104 -4.808 1.010) 5.036 22.180 ( -0.848 6.025 -2.292) 6.502 22.246 ( -2.689 0.358 -1.586) 3.143 22.473 ( -2.471 -1.441 1.802) 3.381 22.686 ( -1.366 -6.734 3.958) 7.930 22.900 ( 2.560 13.660 -1.478) 13.976 23.287 ( 3.303 -5.302 -1.034) 6.332 24.178 ( -0.278 2.511 0.359) 2.552 24.360 ( 0.202 -6.213 0.378) 6.228 24.540 ( 1.061 2.262 -2.322) 3.411 24.599 ( 2.287 -0.973 0.482) 2.532 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -8.241 5.017 -10.485) 14.248 1.971 ( -3.962 1.829 -8.378) 9.446 2.090 ( -3.022 1.627 -2.616) 4.316 2.156 ( -2.211 -0.992 -5.155) 5.696 2.186 ( -1.663 1.776 -5.315) 5.845 2.247 ( -0.751 3.211 -6.968) 7.709 2.293 ( -3.106 3.764 0.460) 4.901 2.372 ( -1.308 -1.277 -0.791) 1.992 2.448 ( -2.324 -2.142 5.606) 6.436 2.488 ( -0.564 -3.359 0.636) 3.464 2.551 ( -0.573 -0.124 1.422) 1.538 2.576 ( -6.821 4.399 3.396) 8.798 2.679 ( -2.524 -2.192 -0.688) 3.413 2.780 ( -5.701 -0.658 -3.182) 6.562 2.928 ( 4.822 0.409 1.093) 4.962 3.051 ( -4.701 -2.380 1.231) 5.412 3.121 ( 2.966 4.525 -6.701) 8.612 3.174 ( -4.867 -1.679 -3.413) 6.177 3.283 ( -7.583 5.087 1.695) 9.287 3.328 ( -3.300 3.487 -0.555) 4.833 3.464 ( -6.453 -1.943 -8.314) 10.703 3.585 ( -9.250 -1.819 1.685) 9.577 3.685 ( -1.340 -4.666 -5.944) 7.674 3.793 ( 5.202 0.953 -2.083) 5.685 3.891 ( 1.776 -2.750 1.318) 3.529 3.972 ( -1.077 -12.314 -4.606) 13.191 4.059 ( -5.354 4.599 -0.990) 7.127 4.218 ( 0.988 -2.415 -1.464) 2.992 4.333 ( 0.609 3.347 4.322) 5.500 4.356 ( 9.810 -0.949 3.721) 10.535 4.529 ( 4.252 4.868 8.750) 10.879 4.665 ( -2.387 -1.457 8.158) 8.624 4.706 ( -7.302 -2.314 8.156) 11.189 4.784 ( -4.912 -3.650 15.330) 16.506 4.881 ( -4.531 7.236 6.013) 10.443 5.096 ( -12.494 -2.474 -6.906) 14.488 5.183 ( -2.324 2.339 1.633) 3.679 5.297 ( 5.736 0.818 -1.485) 5.981 5.356 ( -0.949 -5.634 7.602) 9.510 5.449 ( -2.490 -0.339 -4.818) 5.434 5.510 ( 7.134 -3.603 2.999) 8.536 5.568 ( -6.320 1.350 0.113) 6.463 5.710 ( 1.366 -1.236 0.450) 1.896 5.750 ( -1.578 -4.511 -2.524) 5.405 5.791 ( 0.876 2.656 2.356) 3.657 5.862 ( 1.701 2.635 1.708) 3.571 5.948 ( -0.852 4.342 7.959) 9.106 6.028 ( -2.342 -3.331 0.603) 4.116 6.199 ( 7.024 3.423 -2.490) 8.201 6.219 ( -0.957 5.599 -5.218) 7.713 6.256 ( -1.200 3.476 -6.173) 7.185 6.484 ( 0.455 -0.222 0.193) 0.542 6.523 ( 4.968 -0.584 -2.274) 5.494 6.557 ( 2.197 2.254 0.214) 3.155 6.632 ( 6.001 -0.349 1.611) 6.224 6.674 ( 9.436 -3.333 -2.150) 10.236 6.748 ( 1.138 -8.198 2.498) 8.645 6.803 ( 1.808 -4.263 7.638) 8.932 6.880 ( -9.397 0.069 -2.079) 9.624 6.987 ( 4.172 -0.753 -1.927) 4.657 7.007 ( 2.720 -0.286 0.863) 2.868 7.059 ( 3.251 1.813 2.190) 4.319 7.129 ( 0.956 7.296 -2.062) 7.642 7.250 ( -0.421 0.709 1.376) 1.604 7.277 ( 3.039 2.432 3.538) 5.260 7.352 ( 0.181 0.238 0.432) 0.525 7.468 ( -1.982 -8.347 1.124) 8.652 7.542 ( -1.259 -1.829 0.967) 2.421 7.660 ( -0.165 3.145 7.691) 8.311 7.802 ( 4.681 -0.703 0.341) 4.745 7.841 ( 5.278 -1.833 2.351) 6.062 7.899 ( -1.516 -3.790 1.193) 4.253 7.930 ( -4.809 2.949 0.699) 5.684 8.064 ( -5.077 -1.726 -5.277) 7.523 8.157 ( 9.402 2.955 3.325) 10.401 8.317 ( 6.078 -0.197 2.332) 6.513 8.449 ( 3.871 6.109 -0.810) 7.278 8.503 ( 4.534 1.324 1.068) 4.843 8.566 ( 3.873 1.539 -5.293) 6.737 8.661 ( 1.328 -3.237 -0.461) 3.529 8.675 ( -0.170 -1.873 6.681) 6.941 8.748 ( 3.341 -2.268 4.510) 6.054 8.845 ( -0.218 5.545 -2.493) 6.084 9.041 ( 0.073 8.723 3.341) 9.342 9.104 ( -0.305 2.216 1.433) 2.657 9.162 ( -2.509 3.359 -0.452) 4.217 9.213 ( 0.931 -6.363 -0.261) 6.436 9.243 ( 3.156 -0.823 -1.264) 3.498 9.384 ( -0.067 -3.540 2.356) 4.253 9.481 ( 1.169 -6.401 -4.072) 7.676 9.530 ( -0.604 2.697 -2.536) 3.751 9.599 ( 0.617 -1.366 3.665) 3.960 9.787 ( -1.452 3.305 -4.304) 5.617 9.820 ( -9.155 -3.315 -4.715) 10.818 9.957 ( 0.538 1.955 5.758) 6.105 10.085 ( 9.984 2.541 3.828) 10.990 10.107 ( 4.929 -1.969 11.383) 12.559 10.234 ( 6.235 -2.130 -4.750) 8.122 10.386 ( 0.181 1.657 -4.540) 4.837 10.392 ( -4.356 3.224 -9.357) 10.813 10.579 ( -1.961 3.492 -4.405) 5.953 10.605 ( -1.214 -0.536 1.838) 2.267 10.662 ( -3.479 -1.346 -6.604) 7.585 10.736 ( -2.110 2.636 -3.738) 5.037 10.790 ( -5.543 -4.039 0.584) 6.883 10.872 ( 2.803 -1.203 -4.237) 5.221 10.969 ( -4.313 0.696 -9.219) 10.202 11.057 ( -5.767 -2.501 -4.204) 7.562 11.179 ( -2.942 -2.856 -1.780) 4.470 11.254 ( 0.705 -0.176 -4.050) 4.115 11.304 ( -1.311 -7.927 -5.225) 9.584 11.390 ( -3.577 0.724 -1.812) 4.075 11.481 ( -6.629 5.284 -2.842) 8.940 11.527 ( -5.948 -0.275 0.063) 5.955 11.564 ( -0.143 0.081 -5.328) 5.330 11.590 ( -0.488 -1.948 -3.294) 3.858 11.710 ( 1.708 2.467 -4.089) 5.072 11.761 ( 0.422 1.620 -4.245) 4.563 11.842 ( 2.774 -0.580 -1.532) 3.221 11.911 ( 6.586 4.809 -3.426) 8.846 12.003 ( 2.485 -3.827 -2.249) 5.087 12.083 ( 1.625 -0.850 -1.587) 2.425 12.210 ( 0.705 -0.349 -3.694) 3.777 12.292 ( -2.266 -2.373 -0.475) 3.316 12.379 ( -0.420 0.202 -6.993) 7.008 12.434 ( -1.327 -1.038 -3.918) 4.265 12.476 ( 0.363 -1.816 2.616) 3.205 12.522 ( -1.871 -2.216 0.161) 2.905 12.661 ( 3.262 4.039 -1.086) 5.304 12.775 ( -1.879 -2.079 1.865) 3.366 12.946 ( -1.856 3.028 0.321) 3.566 13.012 ( -1.937 -1.247 -5.708) 6.155 13.205 ( 1.627 2.915 -4.062) 5.258 13.255 ( 3.903 2.303 6.992) 8.333 13.273 ( 3.953 1.036 6.299) 7.508 13.405 ( -4.445 -4.696 6.567) 9.216 13.445 ( -1.820 -0.899 3.574) 4.111 13.530 ( 0.226 -1.652 9.489) 9.634 13.680 ( 1.696 6.182 2.817) 7.002 13.801 ( -1.916 0.933 6.630) 6.964 14.053 ( 4.001 4.022 -6.586) 8.693 14.091 ( 0.420 -3.683 -1.328) 3.937 14.115 ( 3.425 0.218 -1.042) 3.587 14.233 ( 2.737 -1.294 -0.587) 3.084 14.292 ( 0.648 4.434 2.836) 5.303 14.374 ( -3.577 -0.610 -0.237) 3.636 14.564 ( -0.047 1.418 7.319) 7.455 14.584 ( -1.134 -2.022 1.424) 2.721 14.646 ( -2.210 -0.311 -0.407) 2.269 14.753 ( -1.492 -4.855 -3.752) 6.315 14.797 ( 2.769 -1.216 5.319) 6.119 14.944 ( 5.085 -3.893 5.176) 8.234 14.970 ( 3.779 -0.115 4.060) 5.547 15.084 ( -2.327 -4.940 8.820) 10.374 15.203 ( -1.523 1.816 -1.544) 2.829 15.324 ( -2.438 -3.105 -3.591) 5.337 15.371 ( -3.225 0.050 -1.991) 3.791 15.416 ( 3.309 -2.544 -3.601) 5.512 15.505 ( -1.829 8.374 -2.958) 9.067 15.521 ( 2.619 3.468 -3.167) 5.377 15.565 ( 0.534 3.173 -2.973) 4.381 15.690 ( 2.289 -1.162 -3.471) 4.317 15.846 ( -3.959 -1.023 -3.965) 5.696 15.972 ( -0.335 -3.807 -3.272) 5.031 16.048 ( -2.243 5.960 1.241) 6.488 16.153 ( 0.088 3.443 3.872) 5.182 16.236 ( -1.590 1.695 3.034) 3.822 16.291 ( -1.271 -1.634 -2.754) 3.445 16.439 ( -1.099 1.070 3.058) 3.421 16.519 ( 2.925 -3.064 2.816) 5.086 16.566 ( -2.430 -1.682 1.068) 3.142 16.588 ( -0.210 -1.796 3.942) 4.337 17.514 ( 1.305 1.694 4.569) 5.045 17.591 ( 2.414 -1.794 4.237) 5.196 17.727 ( -3.748 6.291 -3.886) 8.290 17.948 ( -7.503 -4.545 -6.443) 10.884 18.235 ( -0.718 -0.203 4.862) 4.919 18.332 ( 0.195 -5.016 5.453) 7.412 18.616 ( 1.356 5.290 0.481) 5.482 18.795 ( 4.136 -3.982 -6.131) 8.400 19.330 ( 3.985 7.485 4.774) 9.731 19.607 ( 0.931 -4.905 5.484) 7.416 19.714 ( -2.342 5.141 5.492) 7.879 19.805 ( -3.302 -0.348 -2.997) 4.473 20.072 ( 2.690 2.709 5.419) 6.629 20.321 ( -2.955 -6.882 2.994) 8.066 20.662 ( 2.049 3.983 1.446) 4.707 20.887 ( -0.509 -7.722 -1.134) 7.821 21.096 ( 1.448 3.612 3.323) 5.117 21.169 ( -0.259 0.934 -0.898) 1.321 21.291 ( 1.553 0.008 4.106) 4.390 21.330 ( 3.232 -4.717 5.712) 8.083 21.645 ( 4.573 6.325 -4.106) 8.819 21.846 ( -0.255 -4.786 0.935) 4.883 22.103 ( -1.584 3.919 -5.854) 7.221 22.182 ( -1.743 -0.712 -4.403) 4.789 22.451 ( -1.979 1.856 1.303) 3.010 22.675 ( -3.577 -2.544 3.055) 5.348 22.962 ( 3.949 9.612 1.437) 10.490 23.314 ( 1.458 -4.834 -0.277) 5.057 24.152 ( -1.921 1.930 0.197) 2.731 24.327 ( -2.016 -6.916 -2.475) 7.617 24.565 ( 3.874 4.977 1.410) 6.462 24.737 ( 9.446 -3.836 3.982) 10.945 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -18.083 14.697 -13.471) 26.916 1.685 ( -14.014 9.543 -15.318) 22.850 1.958 ( -7.825 -4.023 -6.503) 10.941 2.029 ( -3.485 -0.634 -2.692) 4.449 2.111 ( -2.118 -0.886 -3.614) 4.281 2.144 ( -5.192 -2.724 -3.879) 7.030 2.244 ( -4.896 1.685 -0.754) 5.233 2.322 ( -5.656 4.117 1.145) 7.089 2.435 ( -3.265 -5.427 -1.067) 6.423 2.478 ( -2.875 -3.093 4.873) 6.448 2.514 ( -2.811 0.274 1.819) 3.359 2.587 ( -0.989 3.020 5.343) 6.216 2.677 ( 0.311 -4.061 2.304) 4.680 2.727 ( -0.113 -1.730 -0.392) 1.778 2.806 ( -11.512 3.911 -7.479) 14.274 2.956 ( -6.918 -4.055 0.602) 8.041 3.084 ( 1.124 -0.976 -1.586) 2.176 3.155 ( -1.372 2.953 1.085) 3.432 3.289 ( -1.706 5.407 4.478) 7.225 3.326 ( 7.129 3.436 -4.460) 9.084 3.392 ( 4.276 1.176 0.391) 4.452 3.530 ( -4.078 -5.786 2.595) 7.540 3.598 ( 0.847 -8.292 -5.943) 10.237 3.761 ( -6.669 5.177 -3.753) 9.239 3.819 ( -7.324 -7.162 -5.018) 11.407 3.870 ( -3.177 -2.935 -2.064) 4.792 4.026 ( -10.320 6.331 -2.268) 12.318 4.062 ( -13.073 6.313 -9.732) 17.478 4.263 ( -6.212 1.676 -1.955) 6.725 4.376 ( -2.815 -2.008 0.816) 3.553 4.474 ( -7.811 -1.981 -0.384) 8.067 4.524 ( -2.603 3.769 -1.194) 4.733 4.641 ( -4.660 1.358 -1.382) 5.046 4.783 ( -7.192 -8.994 4.755) 12.459 5.010 ( -3.323 4.375 12.093) 13.283 5.132 ( -3.534 -2.553 6.087) 7.487 5.254 ( -2.144 -0.935 12.961) 13.170 5.330 ( -1.375 -5.242 1.379) 5.592 5.376 ( -1.229 -7.784 -1.428) 8.009 5.433 ( 0.820 -5.212 3.550) 6.359 5.539 ( -0.626 6.554 5.266) 8.431 5.636 ( 2.724 0.518 -5.512) 6.170 5.710 ( 3.981 -1.297 3.716) 5.598 5.808 ( 2.615 -2.888 5.961) 7.121 5.860 ( 0.541 -0.741 5.037) 5.120 5.904 ( 3.130 -2.482 -0.231) 4.002 6.029 ( 0.308 1.708 -0.535) 1.816 6.045 ( -1.863 2.468 0.824) 3.200 6.119 ( -2.110 3.438 -5.427) 6.762 6.238 ( -2.124 -0.518 -4.358) 4.876 6.263 ( 8.382 1.065 -0.489) 8.463 6.386 ( 6.615 1.815 -9.196) 11.472 6.491 ( 3.413 1.363 -6.204) 7.211 6.613 ( 0.997 2.982 7.409) 8.048 6.664 ( -1.266 1.314 1.664) 2.469 6.745 ( 6.846 1.855 6.678) 9.741 6.874 ( 5.847 -4.209 4.279) 8.379 6.916 ( 6.754 -4.719 -0.003) 8.239 7.006 ( 4.275 0.685 11.180) 11.989 7.060 ( 7.195 3.750 2.868) 8.606 7.102 ( 5.999 2.235 -0.102) 6.402 7.149 ( 3.868 -2.453 4.969) 6.758 7.238 ( 5.811 8.718 10.111) 14.561 7.343 ( 3.491 3.306 2.943) 5.637 7.391 ( 3.118 1.793 3.150) 4.781 7.397 ( 0.268 -5.077 4.420) 6.737 7.532 ( -1.393 -0.166 2.451) 2.824 7.551 ( 5.341 0.862 6.282) 8.291 7.823 ( 3.744 -2.436 6.463) 7.856 7.862 ( 0.835 -3.395 4.003) 5.315 7.911 ( -2.646 0.948 3.752) 4.688 7.929 ( 7.759 -2.074 -2.968) 8.562 7.946 ( 8.379 -0.937 -2.516) 8.799 7.960 ( 5.403 -3.722 7.245) 9.774 8.267 ( 4.462 4.310 -7.332) 9.604 8.321 ( -0.511 4.608 -7.449) 8.774 8.469 ( 1.924 -0.633 -0.034) 2.026 8.521 ( 0.105 -1.123 -1.089) 1.568 8.599 ( 0.487 2.204 -1.204) 2.558 8.705 ( 0.854 -2.080 1.175) 2.537 8.732 ( 0.067 -1.131 1.635) 1.989 8.751 ( 5.356 5.087 -4.104) 8.450 8.867 ( -2.819 -3.008 1.955) 4.563 8.990 ( -7.659 4.949 -0.247) 9.122 9.057 ( -1.304 2.819 -7.852) 8.444 9.115 ( -2.004 -1.018 -0.613) 2.330 9.211 ( -2.695 -3.769 -0.972) 4.735 9.251 ( -1.087 3.509 -11.912) 12.466 9.310 ( -4.966 -1.919 -3.326) 6.278 9.438 ( 1.907 -4.067 -1.835) 4.852 9.461 ( 1.535 3.200 -3.165) 4.756 9.597 ( -1.682 4.152 -2.224) 5.002 9.703 ( -1.561 -3.293 0.758) 3.722 9.811 ( 2.455 -1.563 -5.969) 6.641 9.976 ( 3.429 5.458 -7.912) 10.205 10.086 ( 0.616 6.797 -14.769) 16.270 10.173 ( -4.783 -3.099 0.064) 5.699 10.282 ( 1.766 2.010 3.410) 4.334 10.367 ( 5.812 -3.487 -4.471) 8.119 10.392 ( 1.612 1.964 -1.658) 3.034 10.479 ( 0.038 -0.030 1.568) 1.568 10.582 ( -4.917 -5.336 3.816) 8.199 10.616 ( -1.857 -3.930 5.136) 6.728 10.680 ( -0.538 -2.397 -3.632) 4.384 10.727 ( -0.658 0.885 -3.333) 3.511 10.788 ( -1.487 -6.652 -3.790) 7.799 10.863 ( -1.162 -0.148 -1.256) 1.717 10.945 ( -6.851 0.504 0.839) 6.920 11.067 ( -5.297 -1.655 -4.111) 6.907 11.121 ( -7.907 1.289 -6.986) 10.629 11.201 ( -5.159 -0.694 -1.897) 5.541 11.269 ( -2.300 -1.068 -7.189) 7.623 11.365 ( -3.090 0.400 -2.052) 3.731 11.428 ( -2.097 1.215 0.207) 2.432 11.582 ( 2.653 0.541 -1.818) 3.261 11.631 ( 1.256 -2.432 1.374) 3.063 11.720 ( 2.056 3.692 2.277) 4.800 11.753 ( 4.289 0.999 -1.615) 4.691 11.851 ( 0.830 -2.154 0.960) 2.500 11.931 ( 2.282 4.285 -4.851) 6.863 12.048 ( 2.219 -5.027 -3.340) 6.430 12.114 ( 3.274 1.524 0.294) 3.623 12.176 ( 4.171 -4.153 -7.766) 9.745 12.207 ( 0.445 -1.084 -0.774) 1.404 12.312 ( 1.358 1.260 -3.593) 4.043 12.359 ( 0.437 -0.384 -5.058) 5.092 12.488 ( 0.505 -2.846 -2.154) 3.605 12.520 ( -1.196 -3.263 0.740) 3.554 12.667 ( -4.602 -1.747 0.744) 4.978 12.718 ( -3.726 -4.147 -0.811) 5.634 12.901 ( -3.163 3.584 -2.478) 5.384 12.966 ( 2.542 2.438 -4.224) 5.500 13.228 ( 2.280 5.081 3.081) 6.365 13.295 ( -10.716 -0.023 3.827) 11.379 13.377 ( 1.544 -2.892 10.955) 11.435 13.468 ( 2.013 -8.420 4.389) 9.706 13.591 ( 8.962 5.924 6.395) 12.502 13.619 ( -1.897 6.262 -3.937) 7.636 13.743 ( 6.940 1.380 5.686) 9.077 13.792 ( -2.935 -0.894 -0.565) 3.120 13.957 ( 1.372 3.470 -4.355) 5.735 14.114 ( -1.082 2.722 3.001) 4.194 14.150 ( 2.444 -4.625 -1.623) 5.477 14.302 ( 6.074 4.530 1.120) 7.659 14.308 ( -4.346 -2.849 5.130) 7.302 14.405 ( 3.358 4.206 1.381) 5.557 14.565 ( -3.611 -4.945 1.666) 6.345 14.595 ( -0.258 -1.060 0.554) 1.224 14.700 ( 0.229 -1.547 -0.480) 1.636 14.720 ( 4.330 -2.530 6.026) 7.840 14.914 ( 1.591 -0.285 6.675) 6.868 14.982 ( 1.751 0.499 -1.379) 2.284 15.054 ( -6.261 -0.347 0.191) 6.274 15.145 ( -2.966 -4.952 1.351) 5.929 15.170 ( -0.665 -2.494 -1.967) 3.245 15.247 ( -3.412 -0.649 2.511) 4.286 15.321 ( 4.099 1.877 0.358) 4.523 15.412 ( 2.907 -1.440 -3.178) 4.541 15.464 ( 0.990 5.061 -2.677) 5.811 15.534 ( 2.155 6.440 -1.289) 6.912 15.587 ( 5.199 7.591 -0.728) 9.230 15.707 ( 3.914 -3.726 -2.072) 5.788 15.776 ( -3.136 -1.937 0.809) 3.774 15.935 ( 0.180 -7.500 -1.929) 7.746 16.014 ( -3.980 7.433 1.203) 8.517 16.170 ( -3.631 3.214 -0.575) 4.884 16.222 ( -3.807 -2.901 -0.789) 4.851 16.258 ( 0.472 1.052 1.588) 1.963 16.363 ( -3.409 4.873 -0.568) 5.974 16.576 ( -4.133 -4.511 1.619) 6.329 16.592 ( 2.964 1.130 3.308) 4.583 16.687 ( 4.123 -3.035 6.222) 8.058 17.557 ( -2.738 1.705 0.471) 3.260 17.595 ( -1.934 2.898 0.136) 3.487 17.688 ( -0.702 -1.073 1.014) 1.635 17.758 ( -6.288 -1.995 -4.109) 7.771 18.288 ( -1.715 -0.309 5.767) 6.024 18.412 ( -0.051 -6.453 6.298) 9.017 18.641 ( 2.164 5.150 -0.240) 5.591 18.794 ( 5.660 -2.907 -5.781) 8.597 19.448 ( 1.236 5.561 6.002) 8.275 19.620 ( -6.991 -2.996 1.178) 7.697 19.689 ( -4.214 1.864 -0.133) 4.610 19.750 ( 1.019 -0.480 0.193) 1.143 20.242 ( -1.481 0.171 4.107) 4.369 20.257 ( -1.409 0.199 3.601) 3.873 20.726 ( 2.288 1.192 2.634) 3.687 20.833 ( -1.947 -5.972 -3.821) 7.353 21.144 ( 2.009 8.000 -2.342) 8.575 21.191 ( 0.796 2.412 5.254) 5.836 21.388 ( 2.334 -1.110 6.220) 6.736 21.415 ( 0.691 -4.888 2.037) 5.340 21.634 ( 1.579 5.940 -5.532) 8.269 21.849 ( 0.143 -5.359 -1.215) 5.497 22.020 ( -0.337 2.529 -4.701) 5.349 22.096 ( -1.598 -2.428 -3.077) 4.233 22.441 ( -2.824 7.875 0.832) 8.407 22.721 ( 3.351 -2.559 5.737) 7.120 23.023 ( 2.204 5.645 1.513) 6.246 23.332 ( 1.700 -5.046 -0.156) 5.327 24.156 ( -0.381 0.723 3.307) 3.407 24.284 ( 1.152 -6.032 -2.030) 6.468 24.650 ( 5.587 7.045 -0.105) 8.992 24.944 ( 11.367 -7.363 3.678) 14.034 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -22.912 21.455 -8.565) 32.537 1.244 ( -23.349 17.931 -7.622) 30.411 1.737 ( -13.035 -7.239 -2.622) 15.139 1.954 ( -7.923 -16.457 -1.378) 18.317 1.999 ( -1.698 0.866 -0.784) 2.062 2.034 ( -6.021 -0.894 -2.136) 6.451 2.178 ( -23.000 9.826 -2.654) 25.151 2.206 ( 1.229 2.717 -2.048) 3.617 2.357 ( -2.022 3.239 3.801) 5.388 2.488 ( -2.016 -3.453 3.310) 5.191 2.545 ( -0.294 -0.147 2.303) 2.327 2.596 ( -4.599 1.811 0.526) 4.971 2.652 ( -1.895 2.113 3.507) 4.512 2.702 ( -1.113 2.805 -2.993) 4.251 2.731 ( 0.284 -2.514 3.025) 3.943 2.869 ( -8.523 -2.034 1.711) 8.928 2.944 ( -7.621 10.533 -0.164) 13.002 3.133 ( -1.635 5.442 4.160) 7.042 3.296 ( -1.101 -1.616 0.710) 2.080 3.394 ( -1.472 -0.953 2.808) 3.311 3.488 ( 5.810 -1.085 -0.180) 5.913 3.502 ( 0.099 0.263 0.059) 0.287 3.557 ( -1.375 -4.806 4.064) 6.442 3.632 ( -0.323 0.234 -0.613) 0.731 3.684 ( -1.297 -4.269 -3.796) 5.858 3.786 ( -0.675 -0.286 1.397) 1.577 3.974 ( 0.106 -2.916 1.926) 3.496 4.055 ( -1.573 3.635 5.132) 6.483 4.136 ( -6.169 -2.986 -6.203) 9.244 4.230 ( -9.345 -3.868 2.426) 10.400 4.310 ( -4.674 -0.230 -10.486) 11.483 4.453 ( -3.255 -9.863 -7.124) 12.595 4.534 ( -2.926 -1.683 -4.094) 5.305 4.701 ( -7.192 -10.507 -4.048) 13.360 4.941 ( -8.140 2.404 -6.772) 10.858 5.092 ( -2.286 1.386 4.909) 5.590 5.297 ( -7.618 -1.328 -1.381) 7.855 5.360 ( 1.158 -4.623 -0.573) 4.800 5.379 ( 2.281 -3.700 6.201) 7.572 5.488 ( -0.538 -0.738 6.015) 6.084 5.564 ( -5.161 2.755 2.533) 6.375 5.656 ( 1.133 8.321 4.588) 9.569 5.711 ( -7.015 0.557 0.374) 7.047 5.800 ( -2.742 2.513 1.897) 4.175 5.851 ( -1.429 -1.991 6.955) 7.374 5.964 ( 0.193 -0.459 2.385) 2.437 6.061 ( 2.561 -1.157 -2.369) 3.675 6.142 ( 6.319 5.326 0.340) 8.271 6.162 ( 2.692 2.246 6.890) 7.730 6.192 ( -2.569 0.800 3.254) 4.223 6.298 ( 2.890 1.808 -3.155) 4.645 6.427 ( 7.939 -1.574 -7.234) 10.855 6.511 ( 10.718 0.776 -1.057) 10.798 6.693 ( 3.059 -6.934 0.995) 7.644 6.721 ( -1.163 14.951 4.190) 15.570 7.001 ( 2.679 -0.575 7.859) 8.323 7.010 ( 9.324 0.714 7.710) 12.120 7.095 ( 8.505 2.213 1.856) 8.982 7.116 ( 1.817 -0.081 3.270) 3.741 7.159 ( 2.192 2.064 -1.185) 3.236 7.189 ( 1.703 -0.148 4.825) 5.119 7.247 ( 3.485 0.823 4.161) 5.490 7.359 ( -1.600 -1.474 -1.710) 2.767 7.398 ( -0.794 -6.469 -1.235) 6.633 7.412 ( 6.353 1.067 -3.328) 7.251 7.491 ( -0.389 4.436 8.892) 9.944 7.563 ( 2.613 -0.748 1.384) 3.051 7.670 ( -1.766 -5.672 0.079) 5.941 7.817 ( 1.286 5.508 -3.073) 6.437 7.914 ( 1.453 -1.745 1.219) 2.577 8.017 ( -3.247 1.309 -0.897) 3.614 8.061 ( 6.645 0.930 0.685) 6.744 8.098 ( 13.506 -1.169 0.212) 13.558 8.137 ( 5.546 1.469 1.795) 6.012 8.181 ( 4.983 4.681 -3.862) 7.852 8.273 ( -4.854 -0.745 -13.287) 14.166 8.408 ( 11.686 -1.049 12.331) 17.021 8.487 ( -9.620 -0.667 -10.618) 14.343 8.564 ( -0.340 -3.346 0.980) 3.503 8.691 ( -2.658 -3.433 -7.667) 8.811 8.721 ( 1.018 -0.659 3.924) 4.107 8.796 ( 0.219 -2.402 2.752) 3.659 8.831 ( 2.583 2.570 -0.150) 3.647 8.921 ( 2.183 2.555 -15.092) 15.462 8.969 ( 2.128 0.888 1.466) 2.732 9.015 ( -4.067 -1.575 -6.838) 8.110 9.105 ( 0.151 0.065 -0.548) 0.572 9.190 ( -4.510 3.821 -4.492) 7.424 9.207 ( 0.811 2.568 1.085) 2.903 9.354 ( -0.125 -1.305 -5.997) 6.138 9.480 ( -5.715 -1.811 -1.225) 6.119 9.529 ( -0.026 -7.917 -0.759) 7.953 9.722 ( 2.193 4.318 -3.740) 6.119 9.753 ( 4.834 3.971 -5.235) 8.157 9.791 ( 3.046 10.300 -19.519) 22.279 9.983 ( -3.175 2.966 -4.483) 6.243 10.049 ( -1.823 6.686 -8.331) 10.836 10.260 ( -5.207 -3.061 8.506) 10.432 10.380 ( -1.573 -4.403 -1.999) 5.085 10.408 ( -2.482 -1.461 -5.746) 6.427 10.491 ( -2.181 0.604 1.680) 2.818 10.539 ( -6.800 -3.678 1.128) 7.813 10.565 ( -3.680 -6.678 2.590) 8.053 10.674 ( -0.364 1.032 0.229) 1.118 10.704 ( 1.943 -3.781 2.676) 5.023 10.822 ( 0.480 -0.580 -4.936) 4.993 10.865 ( 2.834 -7.515 1.679) 8.206 10.937 ( -3.074 -1.518 -1.433) 3.716 10.945 ( -7.620 -0.377 0.738) 7.664 11.011 ( 1.686 -4.295 7.901) 9.150 11.138 ( 1.126 3.677 1.843) 4.264 11.184 ( -0.144 -0.866 -2.736) 2.873 11.314 ( 2.556 4.716 -4.309) 6.881 11.409 ( -2.535 3.132 0.905) 4.130 11.569 ( -1.365 -1.699 -1.423) 2.603 11.623 ( -3.403 -2.412 -1.472) 4.424 11.762 ( 2.314 -0.119 -2.315) 3.276 11.804 ( -2.995 -1.777 3.787) 5.145 11.892 ( 1.779 -1.220 -2.638) 3.408 11.941 ( 3.832 -1.684 4.754) 6.334 12.013 ( 5.714 1.770 -0.769) 6.031 12.155 ( 1.653 -2.135 -5.158) 5.822 12.194 ( 2.714 -2.237 3.755) 5.145 12.243 ( 4.666 -7.458 -5.748) 10.508 12.327 ( 2.666 2.811 0.700) 3.937 12.374 ( 5.782 3.128 1.308) 6.702 12.452 ( -2.792 -0.851 -0.372) 2.943 12.501 ( -2.066 -1.259 1.042) 2.634 12.592 ( -6.486 -6.065 4.322) 9.876 12.658 ( -5.216 -7.806 -0.256) 9.392 12.827 ( -2.151 4.387 -1.134) 5.015 12.922 ( -0.523 1.554 -4.523) 4.812 13.163 ( -10.165 1.405 1.462) 10.366 13.344 ( -1.255 0.147 6.387) 6.511 13.432 ( -0.062 1.511 6.221) 6.402 13.480 ( 1.255 4.670 -7.466) 8.895 13.581 ( -3.237 1.434 -8.881) 9.561 13.711 ( 10.372 -8.470 9.739) 16.559 13.847 ( 5.295 3.647 1.620) 6.630 13.942 ( 7.335 1.125 4.557) 8.708 13.991 ( 2.759 0.766 3.668) 4.653 14.129 ( -0.898 2.498 1.586) 3.093 14.186 ( 2.141 -2.420 0.134) 3.234 14.327 ( 0.294 -0.267 1.579) 1.628 14.381 ( 1.465 0.725 -0.865) 1.849 14.465 ( 5.085 9.797 1.028) 11.086 14.537 ( -1.921 -7.303 1.108) 7.632 14.598 ( -1.316 1.016 1.441) 2.200 14.715 ( 0.681 -1.201 2.888) 3.201 14.840 ( -6.871 -0.939 0.057) 6.935 14.933 ( 4.567 -0.498 2.395) 5.180 14.974 ( 1.622 2.617 -0.438) 3.110 15.025 ( -2.798 -2.180 3.292) 4.839 15.060 ( -3.894 -2.524 -4.208) 6.265 15.116 ( 2.266 -4.089 -2.821) 5.460 15.203 ( -1.165 -2.786 -3.442) 4.579 15.398 ( 1.089 3.841 -4.157) 5.764 15.437 ( 1.636 5.279 3.067) 6.321 15.501 ( 0.827 1.650 5.055) 5.381 15.541 ( 4.547 4.289 -4.811) 7.888 15.668 ( 5.563 8.077 -0.336) 9.814 15.711 ( 1.413 -2.873 -3.398) 4.669 15.780 ( -0.769 -6.847 4.315) 8.130 15.931 ( -4.579 1.562 1.505) 5.067 15.975 ( 1.170 -3.122 -1.829) 3.803 16.094 ( -3.625 10.303 3.970) 11.622 16.147 ( -2.632 -1.230 0.225) 2.914 16.310 ( 1.068 -0.588 2.071) 2.403 16.378 ( 0.149 1.426 4.400) 4.627 16.494 ( -4.582 -4.307 -2.504) 6.769 16.689 ( 4.304 2.733 2.303) 5.594 16.794 ( 1.749 -2.174 3.213) 4.255 17.502 ( -2.752 1.179 1.228) 3.236 17.572 ( -3.377 -1.177 -0.419) 3.601 17.632 ( -2.297 2.927 0.628) 3.773 17.727 ( -0.642 -0.354 0.828) 1.106 18.312 ( -4.538 -0.786 4.722) 6.596 18.461 ( -1.621 -7.330 2.930) 8.059 18.686 ( 3.406 4.711 0.841) 5.873 18.814 ( 7.617 -1.786 -6.923) 10.447 19.427 ( -8.017 -0.585 -2.635) 8.459 19.502 ( -9.077 -1.967 2.040) 9.509 19.703 ( 2.002 3.351 3.823) 5.464 19.762 ( -0.370 -0.566 0.608) 0.909 20.071 ( -8.923 3.074 -5.561) 10.955 20.304 ( -7.478 -11.532 -2.269) 13.930 20.744 ( 0.670 3.065 -0.956) 3.280 20.840 ( 2.768 0.145 4.277) 5.096 21.157 ( 5.882 14.221 -3.578) 15.800 21.245 ( -0.490 3.619 1.821) 4.081 21.412 ( 0.092 -1.926 -1.508) 2.448 21.483 ( 0.742 -0.743 3.188) 3.357 21.570 ( 0.499 4.566 -5.143) 6.896 21.814 ( 0.774 -6.834 -4.019) 7.966 21.980 ( -1.364 3.233 0.100) 3.510 22.084 ( -0.762 -2.490 2.647) 3.714 22.382 ( -5.932 13.888 2.133) 15.252 22.857 ( 2.063 -7.472 4.636) 9.032 23.101 ( 7.865 3.681 0.326) 8.690 23.359 ( 3.348 -8.097 -2.154) 9.022 24.221 ( 2.466 2.073 5.637) 6.493 24.333 ( 5.708 -2.041 1.546) 6.256 24.703 ( 5.096 8.249 -4.959) 10.891 25.120 ( 10.087 -12.593 -4.323) 16.704 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -14.489 27.428 13.507) 33.833 0.929 ( -20.595 26.527 14.840) 36.716 1.521 ( -26.981 36.900 8.772) 46.546 1.646 ( -14.074 -6.311 5.236) 16.289 1.865 ( -6.091 -18.518 4.731) 20.060 2.025 ( 0.227 -0.720 1.383) 1.576 2.065 ( -0.896 -1.727 2.821) 3.427 2.234 ( 3.516 1.742 0.164) 3.928 2.393 ( -3.894 3.785 4.782) 7.236 2.475 ( -4.428 -3.184 -0.047) 5.454 2.516 ( -5.001 3.061 6.702) 8.905 2.634 ( 2.882 -0.139 1.336) 3.179 2.667 ( 0.140 1.137 2.220) 2.498 2.724 ( -3.567 -0.230 0.125) 3.577 2.736 ( 2.663 -2.693 4.428) 5.827 2.833 ( 1.006 1.744 2.797) 3.446 2.999 ( 1.335 3.959 7.566) 8.642 3.078 ( -12.663 -3.418 1.863) 13.248 3.293 ( -4.480 -2.352 1.715) 5.343 3.337 ( -3.850 1.645 -1.187) 4.352 3.394 ( -5.755 -4.665 1.744) 7.611 3.536 ( 1.668 -0.683 -0.539) 1.882 3.581 ( -1.634 1.929 -2.141) 3.312 3.705 ( 6.221 -2.154 1.129) 6.680 3.766 ( 4.618 -4.379 6.180) 8.871 3.863 ( 2.856 -2.588 5.003) 6.315 3.928 ( 1.171 -5.972 3.193) 6.873 4.023 ( -2.389 0.417 -11.465) 11.718 4.070 ( -5.691 0.609 -7.611) 9.523 4.130 ( -4.707 1.787 7.382) 8.936 4.260 ( 7.071 -5.048 8.705) 12.298 4.294 ( -5.739 -22.562 -3.574) 23.553 4.461 ( -1.370 -3.151 -5.982) 6.899 4.527 ( -0.935 -5.170 -5.920) 7.916 4.839 ( 0.130 9.305 -1.640) 9.449 5.147 ( 0.434 -7.291 0.355) 7.312 5.187 ( 2.318 7.965 -0.347) 8.302 5.314 ( -2.427 -2.363 -6.458) 7.292 5.434 ( -3.746 -1.217 -4.065) 5.660 5.493 ( 1.557 -2.198 2.782) 3.872 5.551 ( -2.901 7.035 4.842) 9.020 5.630 ( -6.398 -0.727 4.041) 7.602 5.711 ( -0.684 6.491 -0.139) 6.528 5.856 ( 2.928 8.037 1.466) 8.678 5.894 ( -8.100 0.844 0.288) 8.149 5.996 ( 3.651 0.752 -2.745) 4.629 6.045 ( 2.667 -5.725 -2.326) 6.731 6.121 ( -9.386 -1.651 1.167) 9.601 6.232 ( 4.920 2.526 -4.462) 7.106 6.275 ( 4.803 2.534 9.977) 11.359 6.381 ( 8.467 18.416 2.525) 20.426 6.402 ( 0.261 2.642 -3.474) 4.372 6.676 ( 0.729 2.507 4.282) 5.015 6.735 ( -1.655 0.027 6.009) 6.233 6.784 ( 8.887 -3.551 0.013) 9.570 6.914 ( -15.237 9.201 -19.000) 26.035 6.988 ( -2.573 -2.839 -4.313) 5.769 7.124 ( 0.349 5.062 0.342) 5.085 7.152 ( 0.001 -0.082 0.511) 0.518 7.239 ( 1.814 1.528 -3.534) 4.256 7.257 ( 2.657 3.197 1.973) 4.601 7.294 ( 7.581 1.855 -2.342) 8.148 7.318 ( 0.057 2.835 -0.958) 2.993 7.378 ( 2.057 -3.992 -4.733) 6.525 7.444 ( 0.070 -2.625 0.763) 2.735 7.511 ( 4.694 -4.321 2.581) 6.882 7.589 ( -0.635 -3.073 -3.743) 4.884 7.628 ( -7.115 -7.029 7.507) 12.506 7.723 ( -9.034 -4.113 -2.529) 10.243 7.815 ( 1.818 -1.095 4.435) 4.917 7.959 ( 2.251 -2.432 -3.291) 4.670 8.043 ( -2.786 -8.389 -5.267) 10.289 8.148 ( -0.714 2.792 -3.692) 4.683 8.239 ( 9.521 -1.523 -5.510) 11.105 8.290 ( 11.178 0.543 -2.665) 11.504 8.367 ( 5.667 -2.352 8.768) 10.702 8.476 ( 1.342 0.676 5.468) 5.670 8.534 ( -0.028 5.907 1.227) 6.033 8.564 ( -5.609 -1.686 -5.075) 7.750 8.597 ( 2.935 2.201 3.017) 4.750 8.725 ( 0.500 2.829 -0.202) 2.880 8.789 ( -0.526 1.542 -9.342) 9.483 8.824 ( 5.789 -1.108 -1.878) 6.185 8.891 ( 5.315 -0.206 -0.299) 5.327 8.913 ( -3.574 5.812 0.322) 6.830 8.982 ( -1.616 2.592 -2.905) 4.215 9.105 ( 0.482 4.289 -1.246) 4.492 9.164 ( -2.444 1.707 0.540) 3.029 9.236 ( 1.832 -4.255 5.262) 7.010 9.356 ( 1.962 -3.709 1.776) 4.556 9.427 ( -1.973 -0.140 0.221) 1.990 9.503 ( -4.178 -4.792 2.128) 6.704 9.609 ( 4.113 12.336 -12.754) 18.214 9.764 ( 6.508 3.514 3.329) 8.111 9.811 ( -1.291 0.778 -9.835) 9.950 9.831 ( 3.597 1.737 2.946) 4.964 10.062 ( 5.759 6.861 2.275) 9.241 10.247 ( -4.673 -0.455 -1.173) 4.839 10.283 ( -4.306 -3.774 0.684) 5.767 10.386 ( -1.179 -3.513 3.863) 5.353 10.438 ( -0.077 3.034 -3.309) 4.490 10.478 ( -4.347 -4.559 3.347) 7.134 10.548 ( -1.102 -2.695 3.036) 4.207 10.681 ( -4.316 -1.977 -5.232) 7.065 10.769 ( -0.035 -1.030 4.871) 4.979 10.804 ( -1.345 -8.604 4.112) 9.630 10.820 ( 0.660 4.344 2.691) 5.153 10.912 ( 2.270 -0.766 5.729) 6.210 11.003 ( 7.278 -4.835 -1.989) 8.961 11.089 ( -2.345 -2.325 3.938) 5.139 11.202 ( -1.736 1.308 3.505) 4.125 11.254 ( 3.271 2.841 7.600) 8.748 11.339 ( 0.999 -0.733 -3.234) 3.464 11.431 ( 5.663 4.814 3.355) 8.155 11.478 ( -3.980 4.771 -0.078) 6.213 11.572 ( -0.214 -4.055 1.213) 4.238 11.755 ( -1.561 -5.994 0.324) 6.202 11.805 ( 3.800 -7.240 -0.136) 8.178 11.902 ( 1.033 1.993 -1.005) 2.460 11.997 ( -1.373 -5.123 -0.099) 5.305 12.106 ( 1.228 0.180 -3.939) 4.130 12.145 ( 3.846 -1.682 1.695) 4.527 12.209 ( -3.753 -3.724 -0.450) 5.306 12.271 ( -1.799 -5.973 6.057) 8.695 12.354 ( -1.221 -1.023 0.222) 1.609 12.389 ( -1.659 -0.728 1.951) 2.662 12.486 ( 0.826 2.996 0.004) 3.108 12.532 ( -1.025 -2.805 9.891) 10.332 12.562 ( -4.677 -2.430 -1.346) 5.440 12.581 ( -7.556 -3.941 8.580) 12.093 12.832 ( 1.081 2.369 0.979) 2.782 12.885 ( -0.542 2.790 1.882) 3.409 13.045 ( -5.808 2.573 -0.230) 6.357 13.315 ( -3.442 -7.919 1.923) 8.846 13.442 ( -0.735 0.123 -3.239) 3.323 13.481 ( 3.143 0.372 -1.930) 3.707 13.641 ( 6.111 7.106 13.380) 16.336 13.912 ( 4.179 -2.522 2.390) 5.435 13.945 ( 2.707 -2.110 1.672) 3.818 14.017 ( -2.769 -2.688 -0.119) 3.861 14.023 ( 1.819 -0.123 -2.649) 3.216 14.091 ( -4.660 -3.519 -5.306) 7.890 14.170 ( 3.853 3.534 -5.738) 7.763 14.340 ( 0.779 -2.170 -1.803) 2.928 14.364 ( 0.562 2.611 -1.876) 3.264 14.482 ( 1.283 -2.697 -4.780) 5.636 14.562 ( -0.318 2.633 -2.105) 3.386 14.597 ( 2.524 0.362 -0.995) 2.737 14.739 ( -5.643 1.020 0.951) 5.813 14.777 ( 1.407 3.341 5.727) 6.778 14.922 ( -4.496 -0.211 -2.815) 5.309 14.964 ( -1.049 1.176 -1.910) 2.476 14.978 ( 0.945 -3.477 -2.126) 4.183 15.090 ( 0.585 -0.453 1.099) 1.325 15.167 ( 3.413 -2.901 1.123) 4.618 15.187 ( 5.850 -4.088 0.167) 7.139 15.336 ( -0.539 3.196 -5.218) 6.143 15.455 ( 0.757 8.944 -0.334) 8.982 15.524 ( -0.020 6.280 -2.329) 6.698 15.557 ( -0.551 -5.587 0.412) 5.629 15.693 ( 1.256 -2.621 -3.040) 4.206 15.756 ( 4.611 1.133 1.484) 4.975 15.822 ( 1.564 2.360 2.256) 3.620 15.872 ( -3.365 0.707 5.170) 6.210 16.027 ( 2.083 -5.086 2.098) 5.883 16.065 ( -4.421 -0.915 1.796) 4.859 16.244 ( 5.337 5.570 4.013) 8.696 16.331 ( 2.022 -0.118 0.740) 2.156 16.407 ( -2.637 0.341 -0.933) 2.818 16.463 ( 1.933 -2.439 4.206) 5.232 16.753 ( 3.142 2.532 -1.473) 4.296 16.809 ( -0.591 -0.543 -1.975) 2.132 17.504 ( -1.655 -0.615 0.337) 1.798 17.529 ( -2.282 -2.324 0.343) 3.275 17.652 ( 1.528 4.088 3.430) 5.551 17.718 ( -0.579 0.416 -0.657) 0.969 18.244 ( -10.742 -1.035 2.111) 10.996 18.445 ( -2.259 -9.234 -0.142) 9.507 18.757 ( 5.848 6.199 0.003) 8.522 18.832 ( 9.486 2.419 -11.796) 15.329 19.200 ( -13.957 0.262 -7.792) 15.987 19.366 ( -9.596 -4.509 -0.303) 10.607 19.757 ( -1.512 1.275 1.527) 2.499 19.780 ( -0.230 1.239 5.054) 5.209 19.925 ( -2.828 2.767 2.589) 4.729 20.093 ( -8.371 -7.065 -2.318) 11.197 20.764 ( 1.230 4.070 1.261) 4.435 20.910 ( -1.482 -2.370 3.112) 4.183 21.201 ( 0.626 3.239 -7.203) 7.922 21.249 ( 12.351 12.257 -6.186) 18.467 21.434 ( 6.321 6.552 -4.158) 10.009 21.490 ( -0.077 1.425 2.818) 3.159 21.544 ( -0.014 4.443 -0.116) 4.444 21.806 ( 1.041 -6.170 0.628) 6.289 21.967 ( -1.511 3.002 1.041) 3.518 22.083 ( -5.316 -3.669 2.219) 6.830 22.403 ( 1.535 10.643 8.404) 13.647 22.838 ( -8.873 -11.155 0.871) 14.280 23.219 ( 8.375 1.907 -3.839) 9.408 23.342 ( 2.225 -5.369 -8.890) 10.621 24.391 ( 7.051 4.112 3.021) 8.704 24.477 ( 13.015 6.844 3.907) 15.215 24.668 ( 3.945 6.139 -11.138) 13.316 24.989 ( -5.055 -8.143 -26.503) 28.183 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -1.299 -20.698 13.144) 24.553 1.318 ( -1.299 20.698 13.144) 24.553 1.520 ( -0.786 -22.936 18.445) 29.443 1.520 ( -0.786 22.936 18.445) 29.443 2.005 ( -1.464 -4.567 0.102) 4.797 2.005 ( -1.464 4.567 0.102) 4.797 2.233 ( -0.656 -10.188 7.129) 12.452 2.233 ( -0.656 10.188 7.129) 12.452 2.377 ( -3.792 -4.010 -0.453) 5.537 2.377 ( -3.792 4.010 -0.453) 5.537 2.585 ( -4.599 -1.983 -4.465) 6.710 2.585 ( -4.599 1.983 -4.465) 6.710 2.704 ( 0.132 -8.051 4.178) 9.072 2.704 ( 0.132 8.051 4.178) 9.072 2.791 ( -0.621 -2.798 6.574) 7.172 2.791 ( -0.621 2.798 6.574) 7.172 3.042 ( -3.044 -8.326 8.178) 12.061 3.042 ( -3.044 8.326 8.178) 12.061 3.324 ( 1.888 -8.904 5.345) 10.555 3.324 ( 1.888 8.904 5.345) 10.555 3.405 ( -3.823 -8.549 -0.221) 9.367 3.405 ( -3.823 8.549 -0.221) 9.367 3.570 ( -0.379 -1.988 -2.833) 3.481 3.570 ( -0.379 1.988 -2.833) 3.481 3.783 ( -0.136 -8.448 1.194) 8.533 3.783 ( -0.136 8.448 1.194) 8.533 3.889 ( -2.823 -3.846 -2.041) 5.189 3.889 ( -2.823 3.846 -2.041) 5.189 4.070 ( 1.803 -5.565 6.910) 9.054 4.070 ( 1.803 5.565 6.910) 9.054 4.321 ( 2.274 -2.704 1.160) 3.719 4.321 ( 2.274 2.704 1.160) 3.719 4.488 ( 7.550 -2.427 -0.147) 7.932 4.488 ( 7.550 2.427 -0.147) 7.932 5.049 ( 0.921 -6.616 -0.483) 6.697 5.049 ( 0.921 6.616 -0.483) 6.697 5.186 ( 1.007 -5.004 -4.933) 7.098 5.186 ( 1.007 5.004 -4.933) 7.098 5.409 ( 0.691 -6.539 -2.701) 7.109 5.409 ( 0.691 6.539 -2.701) 7.109 5.605 ( -12.502 -3.374 0.923) 12.982 5.605 ( -12.502 3.374 0.923) 12.982 5.743 ( 0.765 -5.948 -1.742) 6.245 5.743 ( 0.765 5.948 -1.742) 6.245 5.951 ( 1.270 -5.502 -0.010) 5.646 5.951 ( 1.270 5.502 -0.010) 5.646 6.003 ( 1.262 -1.917 0.008) 2.296 6.003 ( 1.262 1.917 0.008) 2.296 6.284 ( -0.816 -4.125 -0.795) 4.279 6.284 ( -0.816 4.125 -0.795) 4.279 6.561 ( -5.162 -2.020 -2.433) 6.054 6.561 ( -5.162 2.020 -2.433) 6.054 6.737 ( 2.023 -3.702 3.314) 5.365 6.737 ( 2.023 3.702 3.314) 5.365 6.913 ( 4.674 -0.736 0.043) 4.732 6.913 ( 4.674 0.736 0.043) 4.732 7.035 ( -3.334 -6.184 -3.119) 7.687 7.035 ( -3.334 6.184 -3.119) 7.687 7.237 ( 1.830 -3.727 -7.168) 8.283 7.237 ( 1.830 3.727 -7.168) 8.283 7.278 ( 1.462 -6.485 -0.201) 6.651 7.278 ( 1.462 6.485 -0.201) 6.651 7.383 ( -2.822 -1.115 0.039) 3.035 7.383 ( -2.822 1.115 0.039) 3.035 7.420 ( -5.306 -2.517 -0.729) 5.918 7.420 ( -5.306 2.517 -0.729) 5.918 7.585 ( 1.541 -2.217 6.304) 6.858 7.585 ( 1.541 2.217 6.304) 6.858 7.672 ( 9.947 -9.019 3.522) 13.881 7.672 ( 9.947 9.019 3.522) 13.881 7.999 ( 0.433 -0.561 -1.514) 1.672 7.999 ( 0.433 0.561 -1.514) 1.672 8.227 ( 0.919 -2.949 2.789) 4.162 8.227 ( 0.919 2.949 2.789) 4.162 8.366 ( 3.743 -2.908 -4.480) 6.522 8.366 ( 3.743 2.908 -4.480) 6.522 8.436 ( 3.729 -1.053 -0.318) 3.887 8.436 ( 3.729 1.053 -0.318) 3.887 8.593 ( -8.737 -2.981 -5.054) 10.524 8.593 ( -8.737 2.981 -5.054) 10.524 8.703 ( -1.358 -1.530 -7.522) 7.795 8.703 ( -1.358 1.530 -7.522) 7.795 8.910 ( 2.419 -0.660 -1.265) 2.809 8.910 ( 2.419 0.660 -1.265) 2.809 9.011 ( 0.255 -7.672 1.773) 7.879 9.011 ( 0.255 7.672 1.773) 7.879 9.134 ( -1.607 -5.359 -0.668) 5.634 9.134 ( -1.607 5.359 -0.668) 5.634 9.308 ( 1.432 -6.811 9.942) 12.136 9.308 ( 1.432 6.811 9.942) 12.136 9.446 ( 0.826 -2.863 -2.756) 4.059 9.446 ( 0.826 2.863 -2.756) 4.059 9.730 ( 5.017 -5.097 0.537) 7.172 9.730 ( 5.017 5.097 0.537) 7.172 9.954 ( 2.976 -2.690 5.971) 7.193 9.954 ( 2.976 2.690 5.971) 7.193 10.176 ( 1.789 -2.376 -1.210) 3.211 10.176 ( 1.789 2.376 -1.210) 3.211 10.378 ( 0.299 -7.631 5.367) 9.334 10.378 ( 0.299 7.631 5.367) 9.334 10.476 ( 0.958 -1.272 2.885) 3.295 10.476 ( 0.958 1.272 2.885) 3.295 10.622 ( 3.805 -2.126 3.293) 5.463 10.622 ( 3.805 2.126 3.293) 5.463 10.736 ( 1.861 -2.020 0.282) 2.761 10.736 ( 1.861 2.020 0.282) 2.761 11.001 ( 2.017 -2.025 0.020) 2.858 11.001 ( 2.017 2.025 0.020) 2.858 11.024 ( 0.047 -2.048 2.427) 3.176 11.024 ( 0.047 2.048 2.427) 3.176 11.202 ( -5.962 -3.480 4.535) 8.260 11.202 ( -5.962 3.480 4.535) 8.260 11.518 ( 3.072 -3.175 5.308) 6.906 11.518 ( 3.072 3.175 5.308) 6.906 11.606 ( -3.754 -6.456 4.864) 8.912 11.606 ( -3.754 6.456 4.864) 8.912 11.754 ( 5.930 -6.149 1.860) 8.743 11.754 ( 5.930 6.149 1.860) 8.743 11.897 ( -2.803 -1.520 0.065) 3.189 11.897 ( -2.803 1.520 0.065) 3.189 12.076 ( -5.386 -0.909 1.584) 5.687 12.076 ( -5.386 0.909 1.584) 5.687 12.132 ( -2.502 -1.998 1.441) 3.511 12.132 ( -2.502 1.998 1.441) 3.511 12.408 ( 1.706 -1.218 1.332) 2.484 12.408 ( 1.706 1.218 1.332) 2.484 12.506 ( -4.766 -1.497 4.145) 6.491 12.506 ( -4.766 1.497 4.145) 6.491 12.613 ( -0.291 -4.434 5.164) 6.813 12.613 ( -0.291 4.434 5.164) 6.813 12.869 ( -0.982 -1.475 -0.591) 1.868 12.869 ( -0.982 1.475 -0.591) 1.868 13.135 ( -2.455 -8.485 3.058) 9.347 13.135 ( -2.455 8.485 3.058) 9.347 13.523 ( 7.150 -3.664 0.883) 8.082 13.523 ( 7.150 3.664 0.883) 8.082 13.763 ( -12.798 -7.159 -5.646) 15.714 13.763 ( -12.798 7.159 -5.646) 15.714 13.910 ( 1.544 -2.620 -3.566) 4.687 13.910 ( 1.544 2.620 -3.566) 4.687 14.011 ( 2.873 -0.685 -3.954) 4.936 14.011 ( 2.873 0.685 -3.954) 4.936 14.230 ( 3.350 -4.160 -5.599) 7.738 14.230 ( 3.350 4.160 -5.599) 7.738 14.362 ( -2.004 -1.711 -8.106) 8.524 14.362 ( -2.004 1.711 -8.106) 8.524 14.576 ( 0.321 -1.029 -0.260) 1.109 14.576 ( 0.321 1.029 -0.260) 1.109 14.725 ( 0.195 -6.297 -3.655) 7.283 14.725 ( 0.195 6.297 -3.655) 7.283 14.935 ( 2.505 -3.277 -0.578) 4.165 14.935 ( 2.505 3.277 -0.578) 4.165 15.073 ( -0.398 -3.296 -0.919) 3.445 15.073 ( -0.398 3.296 -0.919) 3.445 15.175 ( -3.708 -1.729 1.138) 4.247 15.175 ( -3.708 1.729 1.138) 4.247 15.385 ( 3.351 -4.146 -1.020) 5.428 15.385 ( 3.351 4.146 -1.020) 5.428 15.554 ( -0.587 -6.236 -4.519) 7.723 15.554 ( -0.587 6.236 -4.519) 7.723 15.720 ( 1.464 -6.827 4.634) 8.380 15.720 ( 1.464 6.827 4.634) 8.380 15.955 ( -1.901 -6.126 4.055) 7.588 15.955 ( -1.901 6.126 4.055) 7.588 16.015 ( 1.180 -4.732 3.330) 5.905 16.015 ( 1.180 4.732 3.330) 5.905 16.298 ( -0.805 -0.475 -3.326) 3.455 16.298 ( -0.805 0.475 -3.326) 3.455 16.419 ( -3.787 -4.377 0.985) 5.871 16.419 ( -3.787 4.377 0.985) 5.871 16.753 ( -0.205 -1.346 -5.120) 5.298 16.753 ( -0.205 1.346 -5.120) 5.298 17.461 ( -0.466 -1.485 -1.668) 2.281 17.461 ( -0.466 1.485 -1.668) 2.281 17.706 ( -1.142 -1.331 -1.295) 2.180 17.706 ( -1.142 1.331 -1.295) 2.180 18.250 ( -2.262 -5.912 1.560) 6.520 18.250 ( -2.262 5.912 1.560) 6.520 18.879 ( 4.432 -5.104 -6.074) 9.087 18.879 ( 4.432 5.104 -6.074) 9.087 19.154 ( 0.861 -7.190 0.637) 7.269 19.154 ( 0.861 7.190 0.637) 7.269 19.847 ( -2.387 -0.271 6.329) 6.770 19.847 ( -2.387 0.271 6.329) 6.770 19.995 ( 4.012 -3.094 5.361) 7.376 19.995 ( 4.012 3.094 5.361) 7.376 20.846 ( -1.694 -2.417 0.549) 3.002 20.846 ( -1.694 2.417 0.549) 3.002 21.219 ( 3.096 -6.145 -6.988) 9.807 21.219 ( 3.096 6.145 -6.988) 9.807 21.504 ( -1.977 -3.011 -0.484) 3.635 21.504 ( -1.977 3.011 -0.484) 3.635 21.755 ( 1.591 -6.211 4.699) 7.949 21.755 ( 1.591 6.211 4.699) 7.949 21.966 ( -1.836 -1.701 -1.649) 2.997 21.966 ( -1.836 1.701 -1.649) 2.997 22.632 ( -0.232 -8.646 5.172) 10.078 22.632 ( -0.232 8.646 5.172) 10.078 23.230 ( 0.982 -1.339 -11.118) 11.242 23.230 ( 0.982 1.339 -11.118) 11.242 24.392 ( -6.462 -4.000 -11.199) 13.534 24.392 ( -6.462 4.000 -11.199) 13.534 24.835 ( 10.634 -1.854 -5.743) 12.227 24.835 ( 10.634 1.854 -5.743) 12.227 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 10.708 -12.858 17.730) 24.379 1.597 ( 10.708 12.858 17.730) 24.379 1.811 ( 7.284 -15.038 17.259) 24.022 1.811 ( 7.284 15.038 17.259) 24.022 2.022 ( 1.843 -1.306 2.192) 3.147 2.022 ( 1.843 1.306 2.192) 3.147 2.261 ( -1.175 -2.216 -0.619) 2.583 2.261 ( -1.175 2.216 -0.619) 2.583 2.338 ( -1.580 -1.555 0.822) 2.364 2.338 ( -1.580 1.555 0.822) 2.364 2.490 ( 0.511 -2.235 -2.382) 3.307 2.490 ( 0.511 2.235 -2.382) 3.307 2.709 ( -4.860 -5.843 -0.296) 7.606 2.709 ( -4.860 5.843 -0.296) 7.606 2.803 ( 0.323 -2.025 3.895) 4.402 2.803 ( 0.323 2.025 3.895) 4.402 3.186 ( 0.419 -3.657 3.278) 4.929 3.186 ( 0.419 3.657 3.278) 4.929 3.336 ( -0.393 -7.870 0.916) 7.933 3.336 ( -0.393 7.870 0.916) 7.933 3.477 ( 3.419 -5.021 8.117) 10.138 3.477 ( 3.419 5.021 8.117) 10.138 3.530 ( -0.721 -1.566 -1.426) 2.237 3.530 ( -0.721 1.566 -1.426) 2.237 3.786 ( 0.137 -15.424 4.136) 15.970 3.786 ( 0.137 15.424 4.136) 15.970 3.924 ( 5.306 -11.912 5.602) 14.193 3.924 ( 5.306 11.912 5.602) 14.193 4.200 ( 1.616 -6.023 8.506) 10.547 4.200 ( 1.616 6.023 8.506) 10.547 4.364 ( 4.011 -0.702 1.449) 4.323 4.364 ( 4.011 0.702 1.449) 4.323 4.553 ( 3.133 -1.268 -6.248) 7.103 4.553 ( 3.133 1.268 -6.248) 7.103 4.992 ( -3.644 -3.343 -6.734) 8.354 4.992 ( -3.644 3.343 -6.734) 8.354 5.142 ( -0.173 -6.912 -3.698) 7.841 5.142 ( -0.173 6.912 -3.698) 7.841 5.436 ( -0.648 -6.488 3.679) 7.487 5.436 ( -0.648 6.488 3.679) 7.487 5.523 ( 0.968 -4.901 4.720) 6.873 5.523 ( 0.968 4.901 4.720) 6.873 5.797 ( 5.449 -1.134 1.202) 5.695 5.797 ( 5.449 1.134 1.202) 5.695 5.939 ( -3.278 -5.524 2.258) 6.809 5.939 ( -3.278 5.524 2.258) 6.809 6.045 ( 0.571 -0.525 0.031) 0.777 6.045 ( 0.571 0.525 0.031) 0.777 6.238 ( -0.391 -2.849 -0.613) 2.940 6.238 ( -0.391 2.849 -0.613) 2.940 6.470 ( -5.757 -3.733 3.071) 7.517 6.470 ( -5.757 3.733 3.071) 7.517 6.807 ( 1.581 -8.755 -4.284) 9.874 6.807 ( 1.581 8.755 -4.284) 9.874 6.854 ( -2.855 -1.605 -7.942) 8.591 6.854 ( -2.855 1.605 -7.942) 8.591 6.893 ( -8.895 -4.825 1.989) 10.313 6.893 ( -8.895 4.825 1.989) 10.313 7.086 ( -8.759 -6.877 -6.711) 13.002 7.086 ( -8.759 6.877 -6.711) 13.002 7.294 ( -2.511 -2.609 0.301) 3.634 7.294 ( -2.511 2.609 0.301) 3.634 7.354 ( -1.905 -1.873 -1.874) 3.263 7.354 ( -1.905 1.873 -1.874) 3.263 7.408 ( 3.378 -6.187 3.244) 7.759 7.408 ( 3.378 6.187 3.244) 7.759 7.598 ( -2.212 -3.199 0.180) 3.893 7.598 ( -2.212 3.199 0.180) 3.893 7.767 ( -0.873 -5.106 -8.387) 9.858 7.767 ( -0.873 5.106 -8.387) 9.858 7.896 ( -7.259 -8.905 -10.371) 15.477 7.896 ( -7.259 8.905 -10.371) 15.477 8.176 ( -3.411 -1.365 -4.432) 5.757 8.176 ( -3.411 1.365 -4.432) 5.757 8.294 ( 1.119 -1.166 -3.252) 3.631 8.294 ( 1.119 1.166 -3.252) 3.631 8.455 ( 3.734 -2.968 -2.715) 5.489 8.455 ( 3.734 2.968 -2.715) 5.489 8.642 ( 1.370 -4.005 -1.885) 4.634 8.642 ( 1.370 4.005 -1.885) 4.634 8.681 ( 9.233 -6.553 8.433) 14.118 8.681 ( 9.233 6.553 8.433) 14.118 8.884 ( 1.765 -1.512 -1.887) 2.993 8.884 ( 1.765 1.512 -1.887) 2.993 9.060 ( 0.433 -5.289 1.173) 5.435 9.060 ( 0.433 5.289 1.173) 5.435 9.123 ( 0.922 -1.324 0.769) 1.787 9.123 ( 0.922 1.324 0.769) 1.787 9.430 ( 5.565 -5.421 -5.035) 9.258 9.430 ( 5.565 5.421 -5.035) 9.258 9.460 ( -0.883 -3.817 7.208) 8.205 9.460 ( -0.883 3.817 7.208) 8.205 9.818 ( -2.398 -3.297 6.648) 7.799 9.818 ( -2.398 3.297 6.648) 7.799 10.016 ( 0.885 -2.384 -2.092) 3.292 10.016 ( 0.885 2.384 -2.092) 3.292 10.218 ( 6.657 -5.045 -1.625) 8.509 10.218 ( 6.657 5.045 -1.625) 8.509 10.432 ( 1.913 -6.142 0.082) 6.434 10.432 ( 1.913 6.142 0.082) 6.434 10.513 ( 1.035 -4.716 4.951) 6.915 10.513 ( 1.035 4.716 4.951) 6.915 10.716 ( 1.791 -2.821 3.038) 4.517 10.716 ( 1.791 2.821 3.038) 4.517 10.834 ( 1.177 -6.625 7.746) 10.261 10.834 ( 1.177 6.625 7.746) 10.261 10.938 ( -7.057 -1.168 0.334) 7.161 10.938 ( -7.057 1.168 0.334) 7.161 11.119 ( 6.645 -2.053 3.333) 7.712 11.119 ( 6.645 2.053 3.333) 7.712 11.222 ( -4.652 -5.882 10.100) 12.580 11.222 ( -4.652 5.882 10.100) 12.580 11.545 ( -6.811 -2.038 0.368) 7.119 11.545 ( -6.811 2.038 0.368) 7.119 11.643 ( 5.710 -4.774 1.322) 7.560 11.643 ( 5.710 4.774 1.322) 7.560 11.743 ( -10.326 -8.153 11.747) 17.638 11.743 ( -10.326 8.153 11.747) 17.638 11.903 ( 1.140 -5.777 -1.977) 6.212 11.903 ( 1.140 5.777 -1.977) 6.212 12.093 ( 1.775 -2.639 0.146) 3.184 12.093 ( 1.775 2.639 0.146) 3.184 12.188 ( 5.222 -3.306 6.908) 9.269 12.188 ( 5.222 3.306 6.908) 9.269 12.433 ( -1.338 -0.912 0.355) 1.658 12.433 ( -1.338 0.912 0.355) 1.658 12.484 ( -3.993 -2.016 3.236) 5.521 12.484 ( -3.993 2.016 3.236) 5.521 12.654 ( -3.864 -9.326 6.916) 12.237 12.654 ( -3.864 9.326 6.916) 12.237 12.882 ( 5.945 -2.691 -2.023) 6.832 12.882 ( 5.945 2.691 -2.023) 6.832 13.139 ( -0.408 -6.142 1.185) 6.269 13.139 ( -0.408 6.142 1.185) 6.269 13.472 ( -9.673 -4.303 -7.597) 13.031 13.472 ( -9.673 4.303 -7.597) 13.031 13.665 ( 4.654 -2.092 -1.796) 5.409 13.665 ( 4.654 2.092 -1.796) 5.409 13.848 ( -2.822 -2.252 -10.699) 11.292 13.848 ( -2.822 2.252 -10.699) 11.292 13.973 ( 1.389 -2.436 2.503) 3.759 13.973 ( 1.389 2.436 2.503) 3.759 14.187 ( -1.079 -4.308 -3.752) 5.813 14.187 ( -1.079 4.308 -3.752) 5.813 14.269 ( 5.589 -0.866 -8.062) 9.848 14.269 ( 5.589 0.866 -8.062) 9.848 14.583 ( -0.845 -1.037 -1.156) 1.768 14.583 ( -0.845 1.037 -1.156) 1.768 14.681 ( 0.213 -4.474 -4.540) 6.378 14.681 ( 0.213 4.474 -4.540) 6.378 14.960 ( 2.856 -3.240 -0.436) 4.341 14.960 ( 2.856 3.240 -0.436) 4.341 15.013 ( -4.932 -5.982 -2.680) 8.203 15.013 ( -4.932 5.982 -2.680) 8.203 15.148 ( 1.357 -6.602 1.299) 6.865 15.148 ( 1.357 6.602 1.299) 6.865 15.377 ( -0.714 -3.567 -3.945) 5.366 15.377 ( -0.714 3.567 -3.945) 5.366 15.555 ( 2.608 -5.335 0.959) 6.015 15.555 ( 2.608 5.335 0.959) 6.015 15.794 ( 0.542 -5.005 4.207) 6.561 15.794 ( 0.542 5.005 4.207) 6.561 15.941 ( -7.302 -4.064 2.866) 8.834 15.941 ( -7.302 4.064 2.866) 8.834 16.075 ( 3.556 -2.547 2.034) 4.824 16.075 ( 3.556 2.547 2.034) 4.824 16.227 ( -2.730 -6.368 -0.945) 6.992 16.227 ( -2.730 6.368 -0.945) 6.992 16.389 ( -0.722 -5.499 0.251) 5.551 16.389 ( -0.722 5.499 0.251) 5.551 16.672 ( -2.104 -2.470 -5.058) 6.009 16.672 ( -2.104 2.470 -5.058) 6.009 17.494 ( 4.463 -3.098 1.645) 5.676 17.494 ( 4.463 3.098 1.645) 5.676 17.659 ( -0.667 -3.105 -2.962) 4.343 17.659 ( -0.667 3.105 -2.962) 4.343 18.236 ( -1.157 -3.110 -0.528) 3.360 18.236 ( -1.157 3.110 -0.528) 3.360 18.838 ( -0.495 -8.321 -3.259) 8.950 18.838 ( -0.495 8.321 -3.259) 8.950 19.244 ( 8.909 -6.725 -1.405) 11.250 19.244 ( 8.909 6.725 -1.405) 11.250 19.846 ( -3.791 -4.604 2.086) 6.318 19.846 ( -3.791 4.604 2.086) 6.318 20.169 ( 3.632 -2.074 8.488) 9.463 20.169 ( 3.632 2.074 8.488) 9.463 20.810 ( -1.954 -0.445 -1.827) 2.712 20.810 ( -1.954 0.445 -1.827) 2.712 21.175 ( 1.735 -5.606 -5.853) 8.288 21.175 ( 1.735 5.606 -5.853) 8.288 21.441 ( -4.209 -0.634 -1.303) 4.452 21.441 ( -4.209 0.634 -1.303) 4.452 21.787 ( -2.079 -5.473 0.376) 5.866 21.787 ( -2.079 5.473 0.376) 5.866 22.003 ( 6.067 -3.091 3.336) 7.583 22.003 ( 6.067 3.091 3.336) 7.583 22.678 ( -3.711 -10.710 3.074) 11.744 22.678 ( -3.711 10.710 3.074) 11.744 23.081 ( 2.118 -5.081 -11.237) 12.513 23.081 ( 2.118 5.081 -11.237) 12.513 24.209 ( -2.503 -5.559 -5.575) 8.262 24.209 ( -2.503 5.559 -5.575) 8.262 24.860 ( 2.363 -4.812 -6.361) 8.318 24.860 ( 2.363 4.812 -6.361) 8.318 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.135 -7.212 9.307) 13.277 1.923 ( 6.135 7.212 9.307) 13.277 2.070 ( 4.498 -1.203 6.209) 7.761 2.070 ( 4.498 1.203 6.209) 7.761 2.146 ( 8.923 -3.756 5.431) 11.101 2.146 ( 8.923 3.756 5.431) 11.101 2.249 ( 2.243 -2.464 -0.608) 3.387 2.249 ( 2.243 2.464 -0.608) 3.387 2.338 ( 1.472 -2.789 0.338) 3.172 2.338 ( 1.472 2.789 0.338) 3.172 2.543 ( 2.193 -3.326 3.290) 5.167 2.543 ( 2.193 3.326 3.290) 5.167 2.666 ( -0.514 -7.407 4.009) 8.438 2.666 ( -0.514 7.407 4.009) 8.438 2.909 ( 6.302 -7.131 5.911) 11.203 2.909 ( 6.302 7.131 5.911) 11.203 3.182 ( -2.132 -3.341 0.866) 4.057 3.182 ( -2.132 3.341 0.866) 4.057 3.353 ( 1.449 -3.867 2.104) 4.634 3.353 ( 1.449 3.867 2.104) 4.634 3.437 ( -3.074 -5.844 -2.026) 6.907 3.437 ( -3.074 5.844 -2.026) 6.907 3.620 ( 2.684 -5.587 1.512) 6.380 3.620 ( 2.684 5.587 1.512) 6.380 3.885 ( 5.393 -6.587 3.506) 9.207 3.885 ( 5.393 6.587 3.506) 9.207 4.080 ( 2.848 -2.622 4.297) 5.784 4.080 ( 2.848 2.622 4.297) 5.784 4.314 ( 0.772 -2.778 -0.374) 2.907 4.314 ( 0.772 2.778 -0.374) 2.907 4.429 ( 4.809 -3.219 -12.663) 13.923 4.429 ( 4.809 3.219 -12.663) 13.923 4.585 ( 4.828 -8.918 9.269) 13.739 4.585 ( 4.828 8.918 9.269) 13.739 4.842 ( -2.469 -4.920 3.771) 6.672 4.842 ( -2.469 4.920 3.771) 6.672 5.133 ( 2.406 -3.650 0.713) 4.429 5.133 ( 2.406 3.650 0.713) 4.429 5.418 ( -5.639 -3.373 3.156) 7.290 5.418 ( -5.639 3.373 3.156) 7.290 5.643 ( 5.191 -4.271 0.913) 6.784 5.643 ( 5.191 4.271 0.913) 6.784 5.781 ( -6.104 -4.579 -1.028) 7.700 5.781 ( -6.104 4.579 -1.028) 7.700 5.898 ( -2.689 -6.617 -2.301) 7.504 5.898 ( -2.689 6.617 -2.301) 7.504 6.058 ( -3.425 -1.010 2.370) 4.286 6.058 ( -3.425 1.010 2.370) 4.286 6.309 ( 3.569 -5.126 2.006) 6.560 6.309 ( 3.569 5.126 2.006) 6.560 6.511 ( -1.605 -8.033 3.344) 8.848 6.511 ( -1.605 8.033 3.344) 8.848 6.564 ( -8.151 -5.719 -5.143) 11.207 6.564 ( -8.151 5.719 -5.143) 11.207 6.739 ( -1.037 -9.528 -9.629) 13.586 6.739 ( -1.037 9.528 -9.629) 13.586 6.831 ( -6.327 -2.143 4.139) 7.858 6.831 ( -6.327 2.143 4.139) 7.858 6.966 ( -8.738 -4.696 1.084) 9.979 6.966 ( -8.738 4.696 1.084) 9.979 7.156 ( -3.989 -4.775 -5.062) 8.021 7.156 ( -3.989 4.775 -5.062) 8.021 7.293 ( -3.711 -3.908 -0.849) 5.456 7.293 ( -3.711 3.908 -0.849) 5.456 7.435 ( -3.331 -1.968 -3.678) 5.338 7.435 ( -3.331 1.968 -3.678) 5.338 7.553 ( 2.853 -2.140 2.432) 4.317 7.553 ( 2.853 2.140 2.432) 4.317 7.634 ( -3.015 -3.889 -5.958) 7.728 7.634 ( -3.015 3.889 -5.958) 7.728 7.754 ( 0.017 -7.697 -0.373) 7.706 7.754 ( 0.017 7.697 -0.373) 7.706 8.057 ( -4.991 -2.474 -2.159) 5.974 8.057 ( -4.991 2.474 -2.159) 5.974 8.396 ( 9.189 -2.617 -2.062) 9.775 8.396 ( 9.189 2.617 -2.062) 9.775 8.456 ( -2.518 -1.839 -1.713) 3.558 8.456 ( -2.518 1.839 -1.713) 3.558 8.623 ( -0.603 -4.198 -1.709) 4.572 8.623 ( -0.603 4.198 -1.709) 4.572 8.735 ( -1.898 -3.019 -4.102) 5.436 8.735 ( -1.898 3.019 -4.102) 5.436 8.955 ( 3.753 -3.744 -0.523) 5.327 8.955 ( 3.753 3.744 -0.523) 5.327 9.098 ( -0.910 -3.013 2.311) 3.905 9.098 ( -0.910 3.013 2.311) 3.905 9.149 ( 6.001 -4.687 -0.567) 7.635 9.149 ( 6.001 4.687 -0.567) 7.635 9.398 ( 3.483 -3.625 -7.895) 9.360 9.398 ( 3.483 3.625 -7.895) 9.360 9.512 ( -2.009 -3.605 2.387) 4.768 9.512 ( -2.009 3.605 2.387) 4.768 9.812 ( -4.426 -3.823 2.047) 6.196 9.812 ( -4.426 3.823 2.047) 6.196 9.930 ( -0.404 -3.322 -6.376) 7.201 9.930 ( -0.404 3.322 -6.376) 7.201 10.312 ( 5.114 -7.860 -3.075) 9.869 10.312 ( 5.114 7.860 -3.075) 9.869 10.474 ( -2.220 -1.640 4.992) 5.704 10.474 ( -2.220 1.640 4.992) 5.704 10.592 ( -2.019 -5.295 7.148) 9.122 10.592 ( -2.019 5.295 7.148) 9.122 10.744 ( 1.312 -2.583 0.156) 2.901 10.744 ( 1.312 2.583 0.156) 2.901 10.827 ( -2.732 -3.715 4.339) 6.332 10.827 ( -2.732 3.715 4.339) 6.332 11.015 ( 6.300 -4.458 5.679) 9.583 11.015 ( 6.300 4.458 5.679) 9.583 11.203 ( -0.002 -2.734 2.139) 3.472 11.203 ( -0.002 2.734 2.139) 3.472 11.327 ( -0.268 -2.107 7.071) 7.383 11.327 ( -0.268 2.107 7.071) 7.383 11.459 ( -1.912 -1.455 1.251) 2.709 11.459 ( -1.912 1.455 1.251) 2.709 11.694 ( -3.954 -2.052 3.285) 5.535 11.694 ( -3.954 2.052 3.285) 5.535 11.799 ( 0.729 -4.627 6.455) 7.975 11.799 ( 0.729 4.627 6.455) 7.975 11.917 ( 2.395 -4.050 0.107) 4.707 11.917 ( 2.395 4.050 0.107) 4.707 12.117 ( 1.934 -3.325 -0.313) 3.859 12.117 ( 1.934 3.325 -0.313) 3.859 12.357 ( 2.154 -3.276 4.886) 6.265 12.357 ( 2.154 3.276 4.886) 6.265 12.388 ( -6.557 -4.417 3.371) 8.594 12.388 ( -6.557 4.417 3.371) 8.594 12.439 ( -2.925 -3.910 0.907) 4.966 12.439 ( -2.925 3.910 0.907) 4.966 12.709 ( 0.795 -4.136 5.041) 6.569 12.709 ( 0.795 4.136 5.041) 6.569 12.963 ( 7.657 -3.649 -1.931) 8.699 12.963 ( 7.657 3.649 -1.931) 8.699 13.172 ( -0.205 -1.880 2.046) 2.786 13.172 ( -0.205 1.880 2.046) 2.786 13.284 ( -2.388 -4.870 -4.416) 6.994 13.284 ( -2.388 4.870 -4.416) 6.994 13.551 ( -5.755 -3.161 -10.766) 12.610 13.551 ( -5.755 3.161 -10.766) 12.610 13.698 ( -1.988 -2.030 -4.602) 5.408 13.698 ( -1.988 2.030 -4.602) 5.408 14.069 ( 2.338 -2.046 -1.326) 3.378 14.069 ( 2.338 2.046 -1.326) 3.378 14.149 ( 3.811 -2.687 -3.046) 5.570 14.149 ( 3.811 2.687 -3.046) 5.570 14.322 ( 7.447 -2.523 1.180) 7.950 14.322 ( 7.447 2.523 1.180) 7.950 14.476 ( -4.382 -3.917 -5.352) 7.950 14.476 ( -4.382 3.917 -5.352) 7.950 14.657 ( -0.222 -4.265 -0.349) 4.285 14.657 ( -0.222 4.265 -0.349) 4.285 14.894 ( -3.680 -7.883 -2.944) 9.184 14.894 ( -3.680 7.883 -2.944) 9.184 15.023 ( 0.549 -4.266 1.888) 4.698 15.023 ( 0.549 4.266 1.888) 4.698 15.208 ( 2.955 -5.694 0.937) 6.483 15.208 ( 2.955 5.694 0.937) 6.483 15.331 ( 1.907 -3.988 -2.479) 5.068 15.331 ( 1.907 3.988 -2.479) 5.068 15.588 ( 0.970 -4.698 -0.599) 4.835 15.588 ( 0.970 4.698 -0.599) 4.835 15.789 ( -6.378 -5.628 1.534) 8.644 15.789 ( -6.378 5.628 1.534) 8.644 15.917 ( -0.866 -4.632 6.583) 8.096 15.917 ( -0.866 4.632 6.583) 8.096 16.149 ( 1.827 -0.210 0.241) 1.855 16.149 ( 1.827 0.210 0.241) 1.855 16.215 ( 0.980 -6.999 2.220) 7.408 16.215 ( 0.980 6.999 2.220) 7.408 16.387 ( 0.930 -3.503 -2.303) 4.295 16.387 ( 0.930 3.503 -2.303) 4.295 16.574 ( -3.216 -2.423 -2.973) 5.006 16.574 ( -3.216 2.423 -2.973) 5.006 17.528 ( -0.193 -3.757 -4.088) 5.555 17.528 ( -0.193 3.757 -4.088) 5.555 17.702 ( 7.288 -4.534 4.002) 9.470 17.702 ( 7.288 4.534 4.002) 9.470 18.209 ( -1.151 -1.699 -0.450) 2.101 18.209 ( -1.151 1.699 -0.450) 2.101 18.794 ( -0.936 -8.330 -2.312) 8.695 18.794 ( -0.936 8.330 -2.312) 8.695 19.337 ( 6.891 -7.449 -3.293) 10.669 19.337 ( 6.891 7.449 -3.293) 10.669 19.810 ( -3.335 -4.946 1.623) 6.183 19.810 ( -3.335 4.946 1.623) 6.183 20.240 ( -4.598 -7.443 3.173) 9.306 20.240 ( -4.598 7.443 3.173) 9.306 20.762 ( -0.157 -3.301 -2.355) 4.058 20.762 ( -0.157 3.301 -2.355) 4.058 21.129 ( 0.342 -3.703 -3.480) 5.093 21.129 ( 0.342 3.703 -3.480) 5.093 21.359 ( -4.538 -2.337 -1.477) 5.314 21.359 ( -4.538 2.337 -1.477) 5.314 21.759 ( 0.723 -5.284 -2.151) 5.751 21.759 ( 0.723 5.284 -2.151) 5.751 22.160 ( 5.316 -3.789 5.928) 8.818 22.160 ( 5.316 3.789 5.928) 8.818 22.586 ( -7.076 -5.729 -1.103) 9.171 22.586 ( -7.076 5.729 -1.103) 9.171 23.063 ( 6.529 -9.829 -4.491) 12.625 23.063 ( 6.529 9.829 -4.491) 12.625 24.165 ( 1.387 -5.784 -1.016) 6.034 24.165 ( 1.387 5.784 -1.016) 6.034 24.767 ( -3.299 -4.381 -6.097) 8.201 24.767 ( -3.299 4.381 -6.097) 8.201 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 2.138 -1.595 2.119) 3.407 2.043 ( 2.138 1.595 2.119) 3.407 2.154 ( 2.784 -2.335 0.198) 3.638 2.154 ( 2.784 2.335 0.198) 3.638 2.278 ( 3.133 -1.554 2.161) 4.111 2.278 ( 3.133 1.554 2.161) 4.111 2.314 ( 6.039 -1.712 0.055) 6.277 2.314 ( 6.039 1.712 0.055) 6.277 2.369 ( 2.082 -1.615 -0.983) 2.813 2.369 ( 2.082 1.615 -0.983) 2.813 2.553 ( -2.064 -1.572 1.228) 2.871 2.553 ( -2.064 1.572 1.228) 2.871 2.832 ( 3.638 -6.185 10.272) 12.530 2.832 ( 3.638 6.185 10.272) 12.530 3.024 ( -3.811 -4.933 0.995) 6.313 3.024 ( -3.811 4.933 0.995) 6.313 3.198 ( 4.363 -6.870 2.267) 8.448 3.198 ( 4.363 6.870 2.267) 8.448 3.402 ( 2.363 -7.648 2.070) 8.269 3.402 ( 2.363 7.649 2.070) 8.269 3.466 ( 4.386 -6.894 5.051) 9.606 3.466 ( 4.386 6.894 5.051) 9.606 3.665 ( 3.985 -4.204 -0.472) 5.812 3.665 ( 3.985 4.204 -0.472) 5.812 3.961 ( 0.697 -2.735 -1.054) 3.013 3.961 ( 0.697 2.735 -1.054) 3.013 4.152 ( -2.584 -2.453 5.141) 6.255 4.152 ( -2.584 2.453 5.141) 6.255 4.221 ( -6.396 -4.435 -2.590) 8.203 4.221 ( -6.396 4.436 -2.590) 8.203 4.378 ( 8.037 -2.253 -8.291) 11.765 4.378 ( 8.037 2.253 -8.291) 11.765 4.528 ( -3.637 -1.104 -1.228) 3.994 4.528 ( -3.637 1.104 -1.228) 3.994 5.023 ( 6.251 -4.914 -1.821) 8.157 5.023 ( 6.251 4.914 -1.821) 8.157 5.262 ( -0.684 -4.481 10.327) 11.278 5.262 ( -0.684 4.481 10.327) 11.278 5.406 ( 1.981 -3.651 -0.296) 4.164 5.406 ( 1.981 3.651 -0.296) 4.164 5.653 ( -3.904 -4.539 0.634) 6.020 5.653 ( -3.904 4.539 0.634) 6.020 5.715 ( 1.723 -1.460 -2.319) 3.238 5.715 ( 1.723 1.460 -2.319) 3.238 5.847 ( -0.231 -3.692 2.634) 4.541 5.847 ( -0.231 3.692 2.634) 4.541 6.021 ( -7.595 -5.883 6.742) 11.737 6.021 ( -7.595 5.883 6.742) 11.737 6.287 ( 0.719 -2.067 -6.863) 7.203 6.287 ( 0.719 2.067 -6.863) 7.203 6.400 ( 0.263 -4.701 -0.512) 4.736 6.400 ( 0.263 4.701 -0.512) 4.736 6.491 ( -3.094 -4.816 -2.036) 6.075 6.491 ( -3.094 4.816 -2.036) 6.075 6.699 ( -3.520 -1.216 -3.192) 4.905 6.699 ( -3.520 1.216 -3.192) 4.905 6.729 ( -10.768 -2.211 -2.713) 11.322 6.729 ( -10.768 2.211 -2.714) 11.322 6.840 ( -0.774 -1.085 1.995) 2.399 6.840 ( -0.774 1.085 1.995) 2.399 7.144 ( -4.197 -4.475 -1.956) 6.439 7.144 ( -4.197 4.475 -1.956) 6.439 7.290 ( 3.023 -3.208 4.032) 5.974 7.290 ( 3.023 3.208 4.032) 5.974 7.416 ( 1.102 -5.754 2.855) 6.517 7.416 ( 1.102 5.754 2.855) 6.517 7.540 ( -0.864 -4.814 -3.518) 6.025 7.540 ( -0.864 4.814 -3.518) 6.025 7.638 ( -1.912 -4.341 6.858) 8.339 7.638 ( -1.912 4.341 6.858) 8.339 7.776 ( 2.212 -3.981 0.385) 4.570 7.776 ( 2.212 3.981 0.385) 4.570 8.013 ( 1.731 -6.165 -1.901) 6.680 8.013 ( 1.731 6.165 -1.901) 6.680 8.269 ( -12.083 -4.421 -3.481) 13.329 8.269 ( -12.083 4.421 -3.481) 13.329 8.446 ( 0.102 -3.953 -5.554) 6.818 8.446 ( 0.102 3.953 -5.554) 6.818 8.597 ( -3.434 -1.786 -5.493) 6.720 8.597 ( -3.434 1.786 -5.493) 6.720 8.630 ( 2.809 -5.966 0.287) 6.600 8.630 ( 2.809 5.966 0.287) 6.600 8.980 ( 2.623 -7.343 -3.218) 8.436 8.980 ( 2.623 7.343 -3.218) 8.436 9.114 ( 4.809 -7.218 -1.269) 8.766 9.114 ( 4.809 7.219 -1.269) 8.766 9.230 ( 0.850 -3.595 1.395) 3.949 9.230 ( 0.850 3.595 1.395) 3.949 9.348 ( 0.043 -6.410 -3.069) 7.107 9.348 ( 0.043 6.410 -3.069) 7.107 9.508 ( 0.394 -4.191 1.534) 4.480 9.508 ( 0.394 4.191 1.534) 4.480 9.773 ( -0.621 -2.617 -0.526) 2.741 9.773 ( -0.621 2.617 -0.526) 2.741 9.926 ( -1.431 -3.053 3.667) 4.982 9.926 ( -1.431 3.053 3.667) 4.982 10.220 ( -2.457 -1.448 -6.738) 7.317 10.220 ( -2.457 1.448 -6.738) 7.317 10.504 ( 0.984 -1.580 -0.106) 1.865 10.504 ( 0.984 1.580 -0.106) 1.865 10.659 ( -1.046 -5.373 5.653) 7.869 10.659 ( -1.046 5.373 5.653) 7.869 10.783 ( 3.102 -7.314 0.822) 7.986 10.783 ( 3.102 7.314 0.822) 7.986 10.888 ( 0.702 -8.237 3.488) 8.972 10.888 ( 0.702 8.237 3.488) 8.972 11.153 ( 0.032 -1.567 -3.687) 4.006 11.153 ( 0.032 1.567 -3.687) 4.006 11.190 ( 2.035 -0.674 1.986) 2.922 11.190 ( 2.035 0.674 1.986) 2.922 11.348 ( 1.624 -1.948 2.356) 3.462 11.348 ( 1.624 1.948 2.356) 3.462 11.496 ( -0.453 -1.088 0.361) 1.233 11.496 ( -0.453 1.088 0.361) 1.233 11.680 ( -1.807 -2.716 2.259) 3.968 11.680 ( -1.807 2.716 2.259) 3.968 11.860 ( 0.794 -5.213 0.845) 5.341 11.860 ( 0.794 5.213 0.845) 5.341 11.945 ( 0.853 -3.518 -0.168) 3.624 11.945 ( 0.853 3.518 -0.168) 3.624 12.128 ( -1.048 -2.894 0.431) 3.108 12.128 ( -1.048 2.894 0.431) 3.108 12.273 ( -5.382 -4.245 -1.347) 6.986 12.273 ( -5.382 4.245 -1.347) 6.986 12.389 ( -2.635 -2.967 2.285) 4.579 12.389 ( -2.635 2.967 2.285) 4.579 12.463 ( 1.219 -2.652 0.422) 2.949 12.463 ( 1.219 2.652 0.422) 2.949 12.799 ( 0.186 -4.640 5.263) 7.019 12.799 ( 0.186 4.640 5.263) 7.019 12.986 ( -1.672 -3.796 -4.161) 5.875 12.986 ( -1.672 3.796 -4.161) 5.875 13.150 ( 6.145 -2.988 -2.184) 7.174 13.150 ( 6.145 2.988 -2.184) 7.174 13.332 ( -1.757 -3.548 1.858) 4.374 13.332 ( -1.757 3.548 1.858) 4.374 13.423 ( 0.800 -0.319 3.385) 3.493 13.423 ( 0.800 0.319 3.385) 3.493 13.612 ( -1.422 -3.138 -3.813) 5.139 13.612 ( -1.422 3.138 -3.813) 5.139 14.019 ( -0.981 -1.485 -4.757) 5.079 14.019 ( -0.981 1.485 -4.757) 5.079 14.180 ( 5.154 -4.414 -3.662) 7.711 14.180 ( 5.154 4.414 -3.662) 7.711 14.356 ( 0.764 -4.164 -1.776) 4.591 14.356 ( 0.764 4.164 -1.776) 4.591 14.522 ( 5.082 -4.514 5.698) 8.870 14.522 ( 5.082 4.514 5.698) 8.870 14.651 ( -0.329 -1.854 0.782) 2.039 14.651 ( -0.329 1.854 0.782) 2.039 14.809 ( -4.040 -7.065 -2.333) 8.466 14.809 ( -4.040 7.065 -2.333) 8.466 15.000 ( -5.550 -0.869 1.374) 5.783 15.000 ( -5.550 0.869 1.374) 5.783 15.244 ( 2.146 -4.208 -0.398) 4.740 15.244 ( 2.146 4.208 -0.398) 4.740 15.370 ( 3.821 -4.767 -0.458) 6.126 15.370 ( 3.821 4.767 -0.458) 6.126 15.579 ( 0.767 -5.708 -1.896) 6.064 15.579 ( 0.767 5.708 -1.896) 6.064 15.739 ( -2.830 -4.236 1.350) 5.271 15.739 ( -2.830 4.236 1.350) 5.271 15.984 ( -2.086 -1.233 4.372) 4.998 15.984 ( -2.086 1.233 4.372) 4.998 16.170 ( 1.947 -2.832 1.392) 3.708 16.170 ( 1.947 2.832 1.392) 3.708 16.263 ( 0.843 -6.074 -0.224) 6.136 16.263 ( 0.843 6.074 -0.224) 6.136 16.337 ( -1.191 -4.334 -2.460) 5.124 16.337 ( -1.191 4.334 -2.460) 5.124 16.542 ( 0.438 -1.789 0.743) 1.986 16.542 ( 0.438 1.789 0.743) 1.986 17.468 ( -0.051 -3.033 -3.155) 4.377 17.468 ( -0.051 3.033 -3.155) 4.377 17.876 ( 6.892 -7.338 4.243) 10.925 17.876 ( 6.892 7.338 4.243) 10.925 18.198 ( -1.007 -1.670 1.184) 2.281 18.198 ( -1.007 1.670 1.184) 2.281 18.749 ( -0.535 -7.979 -2.990) 8.538 18.749 ( -0.535 7.979 -2.990) 8.538 19.364 ( 2.640 -8.672 -2.423) 9.384 19.364 ( 2.640 8.672 -2.423) 9.384 19.805 ( -1.001 -4.586 2.547) 5.340 19.805 ( -1.001 4.586 2.547) 5.340 20.156 ( -6.847 -9.545 -0.103) 11.747 20.156 ( -6.847 9.545 -0.103) 11.747 20.748 ( 0.965 -5.986 -1.309) 6.203 20.748 ( 0.965 5.986 -1.309) 6.203 21.109 ( 0.127 -3.656 -0.260) 3.668 21.109 ( 0.127 3.656 -0.260) 3.668 21.277 ( -3.678 -1.955 -1.156) 4.323 21.277 ( -3.678 1.955 -1.156) 4.323 21.750 ( 1.775 -6.511 -2.669) 7.258 21.750 ( 1.775 6.511 -2.669) 7.258 22.261 ( 0.039 -2.592 2.836) 3.843 22.261 ( 0.039 2.592 2.836) 3.843 22.521 ( -1.688 -6.605 1.781) 7.046 22.521 ( -1.688 6.605 1.781) 7.046 23.105 ( 4.449 -10.637 -2.449) 11.787 23.105 ( 4.449 10.637 -2.449) 11.787 24.206 ( 3.155 -5.577 1.198) 6.518 24.206 ( 3.155 5.577 1.198) 6.518 24.639 ( -3.970 -3.270 -4.581) 6.887 24.639 ( -3.970 3.270 -4.581) 6.887 ======================= Grid point 71 (38/96) ======================= q-point: (-0.56 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.202 -0.495 -2.842) 2.892 2.052 ( -0.202 0.495 -2.842) 2.892 2.172 ( 1.267 -1.582 -2.257) 3.033 2.172 ( 1.267 1.582 -2.257) 3.033 2.310 ( -1.773 -2.052 0.891) 2.855 2.310 ( -1.773 2.052 0.891) 2.855 2.369 ( 1.702 -3.664 -1.563) 4.332 2.369 ( 1.702 3.664 -1.563) 4.332 2.404 ( 4.364 -2.740 -0.475) 5.175 2.404 ( 4.364 2.740 -0.475) 5.175 2.554 ( -0.979 -3.447 2.719) 4.499 2.554 ( -0.979 3.447 2.719) 4.499 2.876 ( -7.741 -4.621 -2.961) 9.489 2.876 ( -7.741 4.621 -2.961) 9.489 2.951 ( -2.387 -7.742 4.781) 9.407 2.951 ( -2.387 7.742 4.781) 9.407 3.224 ( 1.474 -1.495 -4.712) 5.158 3.224 ( 1.474 1.495 -4.712) 5.158 3.495 ( -0.285 -10.578 -0.058) 10.582 3.495 ( -0.285 10.578 -0.058) 10.582 3.581 ( -0.355 -7.975 4.983) 9.411 3.581 ( -0.355 7.975 4.983) 9.411 3.692 ( 0.686 -2.920 -1.858) 3.528 3.692 ( 0.686 2.920 -1.858) 3.528 3.890 ( -2.110 -5.059 -4.064) 6.823 3.890 ( -2.110 5.059 -4.064) 6.823 4.099 ( 2.584 -2.757 1.997) 4.274 4.099 ( 2.584 2.757 1.997) 4.274 4.266 ( -2.471 -6.459 8.499) 10.958 4.266 ( -2.471 6.459 8.499) 10.958 4.413 ( 5.564 -0.713 1.374) 5.776 4.413 ( 5.564 0.713 1.374) 5.776 4.587 ( 1.379 -3.415 8.950) 9.678 4.587 ( 1.379 3.415 8.950) 9.678 5.031 ( 2.756 -4.203 -3.323) 6.025 5.031 ( 2.756 4.203 -3.323) 6.025 5.297 ( 0.842 -3.095 -0.435) 3.237 5.297 ( 0.842 3.095 -0.435) 3.237 5.381 ( -4.226 -4.194 0.080) 5.955 5.381 ( -4.226 4.194 0.080) 5.955 5.624 ( -0.353 -3.694 -0.743) 3.784 5.624 ( -0.353 3.694 -0.743) 3.784 5.754 ( 5.157 -7.797 0.241) 9.351 5.754 ( 5.157 7.797 0.241) 9.351 5.861 ( -3.950 -2.417 0.622) 4.673 5.861 ( -3.950 2.417 0.622) 4.673 6.004 ( -9.170 -9.148 1.451) 13.033 6.004 ( -9.170 9.148 1.451) 13.033 6.261 ( 2.760 -4.577 -3.004) 6.131 6.261 ( 2.760 4.577 -3.004) 6.131 6.369 ( 4.320 -3.487 -2.387) 6.043 6.369 ( 4.320 3.487 -2.387) 6.043 6.512 ( -0.603 -9.224 -0.353) 9.250 6.512 ( -0.603 9.224 -0.353) 9.250 6.567 ( -2.400 -0.847 0.238) 2.557 6.567 ( -2.400 0.847 0.238) 2.557 6.649 ( -1.840 -4.262 1.673) 4.935 6.649 ( -1.840 4.262 1.673) 4.935 6.897 ( 0.862 -2.289 7.183) 7.588 6.897 ( 0.862 2.289 7.183) 7.588 7.051 ( -1.353 -2.966 -3.060) 4.471 7.051 ( -1.353 2.966 -3.060) 4.471 7.330 ( -3.364 -1.135 -1.876) 4.015 7.330 ( -3.364 1.135 -1.876) 4.015 7.400 ( -1.176 -6.863 -3.265) 7.691 7.400 ( -1.176 6.863 -3.265) 7.691 7.448 ( -3.626 -5.822 -5.091) 8.542 7.448 ( -3.626 5.822 -5.091) 8.542 7.686 ( 0.212 -3.131 1.514) 3.484 7.686 ( 0.212 3.131 1.514) 3.484 7.836 ( -1.569 -6.587 5.232) 8.557 7.836 ( -1.569 6.587 5.232) 8.557 8.005 ( 6.002 -5.849 0.323) 8.387 8.005 ( 6.002 5.849 0.323) 8.387 8.162 ( -4.392 -3.872 0.532) 5.879 8.162 ( -4.392 3.872 0.532) 5.879 8.418 ( 4.220 -1.324 1.993) 4.851 8.418 ( 4.220 1.324 1.993) 4.851 8.564 ( 2.208 -1.607 0.975) 2.899 8.564 ( 2.208 1.607 0.975) 2.899 8.659 ( 0.493 -1.969 -1.018) 2.271 8.659 ( 0.493 1.969 -1.018) 2.271 8.994 ( 2.602 -8.700 -0.189) 9.083 8.994 ( 2.602 8.700 -0.189) 9.083 9.138 ( 2.011 -5.071 -3.024) 6.237 9.138 ( 2.011 5.071 -3.024) 6.237 9.238 ( -0.604 -2.408 1.317) 2.810 9.238 ( -0.604 2.408 1.317) 2.810 9.343 ( 0.505 -6.177 -0.334) 6.207 9.343 ( 0.505 6.177 -0.334) 6.207 9.535 ( -0.754 -1.350 2.078) 2.590 9.535 ( -0.754 1.350 2.078) 2.590 9.818 ( 3.827 -2.553 5.370) 7.071 9.818 ( 3.827 2.553 5.370) 7.071 9.923 ( -4.022 -4.118 3.384) 6.678 9.923 ( -4.022 4.118 3.384) 6.678 10.167 ( 1.191 -6.404 -3.260) 7.284 10.167 ( 1.191 6.404 -3.260) 7.284 10.480 ( 1.260 -2.797 -5.137) 5.983 10.480 ( 1.260 2.797 -5.137) 5.983 10.701 ( -0.159 -2.386 2.639) 3.561 10.701 ( -0.159 2.386 2.639) 3.561 10.784 ( -2.538 -9.299 -5.247) 10.975 10.784 ( -2.538 9.299 -5.247) 10.975 10.897 ( 0.480 -9.599 -5.792) 11.222 10.897 ( 0.480 9.599 -5.792) 11.222 11.031 ( -1.723 -2.738 -2.337) 3.991 11.031 ( -1.723 2.738 -2.337) 3.991 11.217 ( -0.597 -0.765 -1.937) 2.167 11.217 ( -0.597 0.765 -1.937) 2.167 11.418 ( -2.693 -4.140 -1.229) 5.089 11.418 ( -2.693 4.140 -1.229) 5.089 11.492 ( 4.834 -2.156 1.009) 5.389 11.492 ( 4.834 2.156 1.009) 5.389 11.669 ( 0.838 -4.165 -1.708) 4.579 11.669 ( 0.838 4.165 -1.708) 4.579 11.835 ( -5.066 -0.711 -1.974) 5.483 11.835 ( -5.066 0.711 -1.974) 5.483 11.922 ( 3.075 -3.661 -7.185) 8.630 11.922 ( 3.075 3.661 -7.185) 8.630 12.058 ( -5.004 -2.791 -2.898) 6.421 12.058 ( -5.004 2.791 -2.898) 6.421 12.247 ( -1.044 -2.000 3.459) 4.130 12.247 ( -1.044 2.000 3.459) 4.130 12.375 ( 1.279 -1.389 -0.965) 2.120 12.375 ( 1.279 1.389 -0.965) 2.120 12.514 ( 0.519 -4.421 3.745) 5.817 12.514 ( 0.519 4.421 3.745) 5.817 12.747 ( -3.382 -3.463 -3.380) 5.904 12.747 ( -3.382 3.463 -3.380) 5.904 13.001 ( 1.352 -2.607 1.655) 3.371 13.001 ( 1.352 2.607 1.655) 3.371 13.202 ( 3.371 -2.259 0.469) 4.086 13.202 ( 3.371 2.259 0.469) 4.086 13.288 ( -1.410 -4.420 -1.413) 4.850 13.288 ( -1.410 4.420 -1.413) 4.850 13.480 ( -3.398 -2.225 2.273) 4.654 13.480 ( -3.398 2.225 2.273) 4.654 13.651 ( 2.911 -2.308 7.873) 8.705 13.651 ( 2.911 2.308 7.873) 8.705 13.997 ( 2.786 -0.967 0.979) 3.107 13.997 ( 2.786 0.967 0.979) 3.107 14.202 ( 1.794 -5.050 -1.972) 5.710 14.202 ( 1.794 5.050 -1.972) 5.710 14.370 ( 1.791 -5.775 -1.630) 6.263 14.370 ( 1.791 5.775 -1.630) 6.263 14.607 ( -1.290 -4.880 1.088) 5.163 14.607 ( -1.290 4.880 1.088) 5.163 14.637 ( 0.687 -5.518 -0.732) 5.608 14.637 ( 0.687 5.518 -0.732) 5.608 14.780 ( 0.873 -4.943 1.730) 5.310 14.780 ( 0.873 4.943 1.730) 5.310 14.940 ( -4.497 -5.664 4.007) 8.268 14.940 ( -4.497 5.664 4.007) 8.268 15.269 ( 1.561 -3.894 -0.290) 4.205 15.269 ( 1.561 3.894 -0.290) 4.205 15.398 ( 0.727 -2.157 -0.751) 2.397 15.398 ( 0.727 2.157 -0.751) 2.397 15.576 ( 1.704 -3.612 -1.543) 4.282 15.576 ( 1.704 3.612 -1.543) 4.282 15.702 ( -1.870 -3.382 -2.450) 4.576 15.702 ( -1.870 3.382 -2.450) 4.576 15.954 ( -3.291 -1.508 -2.252) 4.264 15.954 ( -3.291 1.508 -2.252) 4.264 16.179 ( -0.028 -2.489 -1.656) 2.990 16.179 ( -0.028 2.489 -1.656) 2.990 16.265 ( 0.119 -5.963 0.751) 6.011 16.265 ( 0.119 5.963 0.751) 6.011 16.365 ( 1.575 -6.463 4.951) 8.292 16.365 ( 1.575 6.463 4.951) 8.292 16.563 ( -0.246 -2.195 1.150) 2.490 16.563 ( -0.246 2.195 1.150) 2.490 17.473 ( 1.828 -1.718 2.134) 3.294 17.473 ( 1.828 1.718 2.134) 3.294 17.952 ( -0.082 -8.233 -1.758) 8.419 17.952 ( -0.082 8.233 -1.758) 8.419 18.211 ( -0.910 -2.102 3.536) 4.213 18.211 ( -0.910 2.102 3.536) 4.213 18.714 ( 1.265 -6.773 -3.057) 7.538 18.714 ( 1.265 6.773 -3.057) 7.538 19.393 ( 2.425 -9.093 2.021) 9.626 19.393 ( 2.425 9.093 2.021) 9.626 19.822 ( -1.934 -5.097 2.182) 5.872 19.822 ( -1.934 5.097 2.182) 5.872 20.099 ( -1.578 -8.216 2.649) 8.776 20.099 ( -1.578 8.216 2.649) 8.776 20.753 ( 0.734 -7.074 -0.171) 7.114 20.753 ( 0.734 7.074 -0.171) 7.114 21.120 ( -0.222 -3.644 1.920) 4.124 21.120 ( -0.222 3.644 1.920) 4.124 21.242 ( -0.093 -1.064 0.655) 1.253 21.242 ( -0.093 1.064 0.655) 1.253 21.745 ( 2.228 -6.287 -2.613) 7.163 21.745 ( 2.228 6.287 -2.613) 7.163 22.245 ( -2.527 -1.086 -1.718) 3.243 22.245 ( -2.527 1.086 -1.718) 3.243 22.540 ( -1.300 -8.050 3.151) 8.742 22.540 ( -1.300 8.050 3.151) 8.742 23.137 ( 3.122 -11.570 -1.097) 12.034 23.137 ( 3.122 11.570 -1.097) 12.034 24.250 ( 0.002 -5.517 0.237) 5.522 24.250 ( 0.002 5.517 0.237) 5.522 24.575 ( 1.320 -1.655 -0.847) 2.280 24.575 ( 1.320 1.655 -0.847) 2.280 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -3.208 -2.509 -6.728) 7.865 1.967 ( -3.208 2.509 -6.728) 7.865 2.128 ( -2.519 -2.024 -3.713) 4.923 2.128 ( -2.519 2.024 -3.713) 4.923 2.255 ( -2.231 -3.951 -5.424) 7.071 2.255 ( -2.231 3.951 -5.424) 7.071 2.354 ( -3.643 -1.891 -1.467) 4.358 2.354 ( -3.643 1.891 -1.467) 4.358 2.420 ( -1.999 -1.794 2.428) 3.621 2.420 ( -1.999 1.794 2.428) 3.621 2.580 ( -1.423 -3.310 3.806) 5.241 2.580 ( -1.423 3.310 3.806) 5.241 2.715 ( -6.064 -4.914 -3.765) 8.666 2.715 ( -6.064 4.914 -3.765) 8.666 2.989 ( 0.413 -4.428 2.507) 5.106 2.989 ( 0.413 4.428 2.507) 5.106 3.157 ( -1.849 -2.333 -6.020) 6.716 3.157 ( -1.849 2.333 -6.020) 6.716 3.377 ( -6.300 -2.174 -4.307) 7.935 3.377 ( -6.300 2.174 -4.307) 7.935 3.473 ( -6.362 -7.534 -1.708) 10.008 3.473 ( -6.362 7.534 -1.708) 10.008 3.735 ( -1.322 -8.539 -2.124) 8.898 3.735 ( -1.322 8.539 -2.124) 8.898 3.847 ( 2.237 -1.939 -1.107) 3.160 3.847 ( 2.237 1.939 -1.107) 3.160 4.150 ( -1.678 -5.483 -1.451) 5.915 4.150 ( -1.678 5.483 -1.451) 5.915 4.352 ( 5.287 -1.049 6.897) 8.753 4.352 ( 5.287 1.049 6.897) 8.753 4.618 ( 1.018 -3.595 9.768) 10.458 4.618 ( 1.018 3.595 9.768) 10.458 4.707 ( -2.567 -3.166 11.813) 12.497 4.707 ( -2.567 3.166 11.813) 12.497 5.013 ( -6.159 -6.426 0.201) 8.903 5.013 ( -6.159 6.426 0.201) 8.903 5.247 ( -6.012 -4.262 0.711) 7.404 5.247 ( -6.012 4.262 0.711) 7.404 5.378 ( 2.572 -5.498 -0.419) 6.085 5.378 ( 2.572 5.498 -0.419) 6.085 5.553 ( -5.018 -5.319 -5.444) 9.117 5.553 ( -5.018 5.319 -5.444) 9.117 5.670 ( 0.864 -1.479 -3.850) 4.214 5.670 ( 0.864 1.479 -3.850) 4.214 5.861 ( -1.686 -3.865 2.662) 4.987 5.861 ( -1.686 3.865 2.662) 4.987 6.004 ( 5.514 -1.308 7.592) 9.474 6.004 ( 5.514 1.308 7.592) 9.474 6.245 ( 0.342 -1.165 -4.875) 5.024 6.245 ( 0.342 1.165 -4.875) 5.024 6.412 ( -1.985 -9.655 -1.599) 9.985 6.412 ( -1.985 9.655 -1.599) 9.985 6.524 ( 2.765 -1.971 -3.781) 5.082 6.524 ( 2.765 1.971 -3.781) 5.082 6.621 ( 8.906 -2.253 3.466) 9.819 6.621 ( 8.906 2.253 3.466) 9.819 6.726 ( 3.335 -3.449 5.997) 7.680 6.726 ( 3.335 3.449 5.997) 7.680 6.914 ( -0.687 -3.569 2.022) 4.159 6.914 ( -0.687 3.569 2.022) 4.159 7.062 ( 2.528 -2.688 -2.985) 4.746 7.062 ( 2.528 2.688 -2.985) 4.746 7.220 ( -1.600 -3.796 2.643) 4.894 7.220 ( -1.600 3.796 2.643) 4.894 7.350 ( 1.613 -3.360 1.993) 4.227 7.350 ( 1.613 3.360 1.993) 4.227 7.438 ( 1.737 -7.556 -0.219) 7.757 7.438 ( 1.737 7.556 -0.219) 7.757 7.744 ( 0.075 -5.417 5.916) 8.022 7.744 ( 0.075 5.417 5.916) 8.022 7.837 ( 1.863 -2.762 -0.876) 3.445 7.837 ( 1.863 2.762 -0.876) 3.445 8.007 ( -6.338 -4.322 -4.544) 8.916 8.007 ( -6.338 4.322 -4.544) 8.916 8.248 ( 9.750 -6.569 7.053) 13.710 8.248 ( 9.750 6.569 7.053) 13.710 8.530 ( 3.364 -3.776 -5.235) 7.279 8.530 ( 3.364 3.776 -5.235) 7.279 8.587 ( 0.894 -4.274 1.626) 4.659 8.587 ( 0.894 4.274 1.626) 4.659 8.690 ( 3.045 -3.201 4.171) 6.076 8.690 ( 3.045 3.201 4.171) 6.076 9.023 ( 1.001 -11.505 -1.334) 11.626 9.023 ( 1.001 11.505 -1.334) 11.626 9.135 ( -0.710 -0.595 -0.181) 0.944 9.135 ( -0.710 0.595 -0.181) 0.944 9.253 ( -0.057 -4.055 3.399) 5.291 9.253 ( -0.057 4.055 3.399) 5.291 9.351 ( 1.919 -5.232 -2.936) 6.300 9.351 ( 1.919 5.232 -2.936) 6.300 9.569 ( 0.882 -2.089 5.798) 6.226 9.569 ( 0.882 2.089 5.798) 6.226 9.792 ( -7.555 -0.625 -6.863) 10.226 9.792 ( -7.555 0.625 -6.863) 10.226 10.030 ( 4.427 -4.722 11.648) 13.325 10.030 ( 4.427 4.722 11.648) 13.325 10.177 ( 7.107 -4.715 -4.425) 9.608 10.177 ( 7.107 4.715 -4.425) 9.608 10.421 ( -0.009 -3.006 -7.381) 7.970 10.421 ( -0.009 3.006 -7.381) 7.970 10.599 ( -6.672 -3.501 -5.864) 9.547 10.599 ( -6.672 3.501 -5.864) 9.547 10.695 ( -1.501 -4.937 -1.662) 5.421 10.695 ( -1.501 4.937 -1.662) 5.421 10.827 ( -0.714 -4.960 -7.215) 8.785 10.827 ( -0.714 4.960 -7.215) 8.785 10.991 ( -1.924 -4.125 -3.299) 5.622 10.991 ( -1.924 4.125 -3.299) 5.622 11.164 ( -2.330 -3.089 -1.772) 4.256 11.164 ( -2.330 3.089 -1.772) 4.256 11.343 ( -1.750 -5.112 -5.506) 7.714 11.343 ( -1.750 5.112 -5.506) 7.714 11.534 ( -4.481 -1.567 -1.203) 4.897 11.534 ( -4.481 1.567 -1.203) 4.897 11.552 ( -2.773 -2.315 -3.246) 4.856 11.552 ( -2.773 2.315 -3.246) 4.856 11.802 ( -0.280 -1.580 -3.564) 3.909 11.802 ( -0.280 1.580 -3.564) 3.909 11.861 ( 4.785 -8.736 -4.474) 10.919 11.861 ( 4.785 8.736 -4.474) 10.919 12.021 ( 2.856 -5.375 -0.679) 6.125 12.021 ( 2.856 5.375 -0.679) 6.125 12.244 ( -1.246 -3.156 -2.630) 4.293 12.244 ( -1.246 3.156 -2.630) 4.293 12.390 ( -0.316 -1.484 -1.472) 2.114 12.390 ( -0.316 1.484 -1.472) 2.114 12.492 ( -2.635 -1.403 -0.940) 3.130 12.492 ( -2.635 1.403 -0.940) 3.130 12.725 ( 0.026 -3.290 -0.212) 3.297 12.725 ( 0.026 3.290 -0.212) 3.297 12.984 ( -1.544 -1.773 -0.496) 2.403 12.984 ( -1.544 1.773 -0.496) 2.403 13.243 ( 1.809 -1.246 -1.911) 2.911 13.243 ( 1.809 1.246 -1.911) 2.911 13.338 ( 0.686 -3.084 6.487) 7.216 13.338 ( 0.686 3.084 6.487) 7.216 13.477 ( 0.011 -3.828 8.542) 9.361 13.477 ( 0.011 3.828 8.542) 9.361 13.775 ( 0.087 -3.997 5.445) 6.755 13.775 ( 0.087 3.997 5.445) 6.755 14.071 ( 2.479 -1.008 -2.165) 3.443 14.071 ( 2.479 1.008 -2.165) 3.443 14.173 ( 0.451 -5.056 -0.805) 5.140 14.173 ( 0.451 5.056 -0.805) 5.140 14.352 ( 0.242 -2.769 -0.580) 2.839 14.352 ( 0.242 2.769 -0.580) 2.839 14.582 ( -1.683 -0.760 0.371) 1.883 14.582 ( -1.683 0.760 0.371) 1.883 14.660 ( 0.012 -3.582 0.234) 3.589 14.660 ( 0.012 3.582 0.234) 3.589 14.837 ( 3.955 -5.394 3.726) 7.657 14.837 ( 3.955 5.394 3.726) 7.657 15.004 ( 0.292 -3.592 8.737) 9.451 15.004 ( 0.292 3.592 8.737) 9.451 15.259 ( -1.370 -3.859 -2.198) 4.648 15.259 ( -1.370 3.859 -2.198) 4.648 15.376 ( 0.020 -1.784 -3.181) 3.647 15.376 ( 0.020 1.784 -3.181) 3.647 15.590 ( 3.169 -1.555 -1.806) 3.965 15.590 ( 3.169 1.555 -1.806) 3.965 15.641 ( -1.435 -5.167 -1.936) 5.701 15.641 ( -1.435 5.167 -1.936) 5.701 15.855 ( -2.613 -4.200 -4.856) 6.932 15.855 ( -2.613 4.200 -4.856) 6.932 16.184 ( -0.054 -4.034 0.551) 4.071 16.184 ( -0.054 4.034 0.551) 4.071 16.247 ( -2.324 -1.688 0.376) 2.897 16.247 ( -2.324 1.688 0.376) 2.897 16.468 ( 1.894 -2.260 5.439) 6.186 16.468 ( 1.894 2.260 5.439) 6.186 16.556 ( -1.464 -0.938 0.918) 1.966 16.556 ( -1.464 0.938 0.918) 1.966 17.553 ( 2.046 -2.425 4.531) 5.531 17.553 ( 2.046 2.425 4.531) 5.531 17.846 ( -5.997 -6.564 -5.652) 10.535 17.846 ( -5.997 6.564 -5.652) 10.535 18.257 ( -0.830 -2.936 5.519) 6.306 18.257 ( -0.830 2.936 5.519) 6.306 18.711 ( 2.968 -5.210 -2.773) 6.607 18.711 ( 2.968 5.210 -2.773) 6.607 19.482 ( 2.683 -8.554 4.992) 10.261 19.482 ( 2.683 8.554 4.992) 10.261 19.787 ( -4.050 -2.222 -0.301) 4.629 19.787 ( -4.050 2.222 -0.301) 4.629 20.174 ( 2.007 -8.382 6.814) 10.987 20.174 ( 2.007 8.382 6.814) 10.987 20.757 ( -0.116 -6.527 -0.130) 6.529 20.757 ( -0.116 6.527 -0.130) 6.529 21.153 ( 1.172 -2.672 2.721) 3.989 21.153 ( 1.172 2.672 2.721) 3.989 21.289 ( 2.120 -0.233 3.496) 4.095 21.289 ( 2.120 0.233 3.496) 4.095 21.753 ( 2.841 -5.687 -2.525) 6.840 21.753 ( 2.841 5.687 -2.525) 6.840 22.155 ( -3.007 -2.149 -5.386) 6.532 22.155 ( -3.007 2.149 -5.386) 6.532 22.558 ( -1.505 -8.379 3.757) 9.306 22.558 ( -1.505 8.379 3.757) 9.306 23.170 ( 2.049 -11.158 -0.053) 11.345 23.170 ( 2.049 11.158 -0.053) 11.345 24.214 ( -2.477 -5.184 -1.070) 5.844 24.214 ( -2.477 5.184 -1.070) 5.844 24.654 ( 6.775 -5.026 2.222) 8.724 24.654 ( 6.775 5.026 2.222) 8.724 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -9.773 -8.299 -8.102) 15.166 1.785 ( -9.773 8.299 -8.102) 15.166 1.933 ( -13.376 -8.968 -10.939) 19.468 1.933 ( -13.376 8.968 -10.939) 19.468 2.104 ( -4.527 -0.820 -4.475) 6.419 2.104 ( -4.527 0.820 -4.475) 6.419 2.307 ( -2.163 -5.141 0.496) 5.600 2.307 ( -2.163 5.141 0.496) 5.600 2.415 ( -3.380 -3.456 3.392) 5.906 2.415 ( -3.380 3.456 3.392) 5.906 2.573 ( -2.804 -5.673 1.446) 6.492 2.573 ( -2.804 5.673 1.446) 6.492 2.668 ( -0.327 -4.614 2.085) 5.073 2.668 ( -0.327 4.614 2.085) 5.073 2.882 ( -10.759 -4.503 -2.443) 11.917 2.882 ( -10.759 4.503 -2.443) 11.917 3.138 ( 4.311 -5.391 -0.010) 6.903 3.138 ( 4.311 5.391 -0.010) 6.903 3.355 ( 5.172 -2.724 -0.247) 5.851 3.355 ( 5.172 2.724 -0.247) 5.851 3.414 ( -0.929 -3.497 0.212) 3.625 3.414 ( -0.929 3.497 0.212) 3.625 3.634 ( -4.462 -9.667 -3.484) 11.203 3.634 ( -4.462 9.667 -3.484) 11.203 3.833 ( -4.136 -2.739 -0.234) 4.966 3.833 ( -4.136 2.739 -0.234) 4.966 4.138 ( -1.124 -4.087 0.734) 4.302 4.138 ( -1.124 4.087 0.734) 4.302 4.318 ( -20.522 -6.838 -9.544) 23.643 4.318 ( -20.522 6.838 -9.544) 23.643 4.488 ( -7.727 -5.244 -3.653) 10.028 4.488 ( -7.727 5.244 -3.653) 10.028 4.663 ( -4.132 -4.341 2.199) 6.383 4.663 ( -4.132 4.341 2.199) 6.383 5.083 ( -2.892 -3.552 11.053) 11.965 5.083 ( -2.892 3.552 11.053) 11.965 5.255 ( -1.020 -2.085 1.242) 2.633 5.255 ( -1.020 2.085 1.242) 2.633 5.343 ( -2.421 -3.760 8.476) 9.584 5.343 ( -2.421 3.760 8.476) 9.584 5.629 ( 4.661 -2.070 0.953) 5.188 5.629 ( 4.661 2.070 0.953) 5.188 5.729 ( 8.061 -4.346 3.363) 9.755 5.729 ( 8.061 4.346 3.363) 9.755 5.864 ( -1.333 -1.774 -0.465) 2.267 5.864 ( -1.333 1.774 -0.465) 2.267 6.047 ( -4.220 -0.799 -1.884) 4.690 6.047 ( -4.220 0.799 -1.884) 4.690 6.228 ( 4.679 -1.772 -0.725) 5.056 6.228 ( 4.679 1.772 -0.725) 5.056 6.347 ( 0.317 -8.636 -6.505) 10.816 6.347 ( 0.317 8.636 -6.505) 10.816 6.496 ( 4.624 -3.427 -3.789) 6.891 6.496 ( 4.624 3.427 -3.789) 6.891 6.752 ( 7.191 -2.459 7.376) 10.591 6.752 ( 7.191 2.459 7.376) 10.591 6.874 ( 4.349 -3.870 4.331) 7.256 6.874 ( 4.349 3.870 4.331) 7.256 7.052 ( 3.617 -4.106 9.192) 10.697 7.052 ( 3.617 4.106 9.192) 10.697 7.128 ( 7.171 -0.859 2.760) 7.732 7.128 ( 7.171 0.859 2.760) 7.732 7.315 ( 0.303 -2.197 4.841) 5.325 7.315 ( 0.303 2.197 4.841) 5.325 7.457 ( 4.056 -6.157 -0.986) 7.439 7.457 ( 4.056 6.157 -0.986) 7.439 7.507 ( 5.794 -8.366 8.425) 13.211 7.507 ( 5.794 8.366 8.425) 13.211 7.802 ( 1.037 -1.991 4.764) 5.266 7.802 ( 1.037 1.991 4.764) 5.266 7.907 ( 1.044 -0.395 2.819) 3.032 7.907 ( 1.044 0.395 2.819) 3.032 7.935 ( 7.136 -0.609 3.340) 7.903 7.935 ( 7.136 0.609 3.340) 7.903 8.359 ( -1.951 -3.375 -10.296) 11.009 8.359 ( -1.951 3.375 -10.296) 11.009 8.461 ( 3.984 -2.982 1.479) 5.191 8.461 ( 3.984 2.982 1.479) 5.191 8.654 ( 2.663 -3.142 1.343) 4.332 8.654 ( 2.663 3.142 1.343) 4.332 8.760 ( 0.000 -3.711 -1.293) 3.930 8.760 ( 0.000 3.711 -1.293) 3.930 8.955 ( -1.127 -8.287 -7.339) 11.127 8.955 ( -1.127 8.287 -7.339) 11.127 9.112 ( -3.652 -2.053 2.843) 5.064 9.112 ( -3.652 2.053 2.843) 5.064 9.199 ( -5.568 -6.723 -7.773) 11.689 9.199 ( -5.568 6.723 -7.773) 11.689 9.350 ( 1.765 -4.978 -1.940) 5.627 9.350 ( 1.765 4.978 -1.940) 5.627 9.540 ( -4.347 -5.364 -5.080) 8.571 9.540 ( -4.347 5.364 -5.080) 8.571 9.758 ( 3.160 -4.491 2.088) 5.875 9.758 ( 3.160 4.491 2.088) 5.875 10.087 ( 0.202 -5.793 -1.924) 6.108 10.087 ( 0.202 5.793 -1.924) 6.108 10.246 ( 5.409 -8.225 -15.975) 18.765 10.246 ( 5.409 8.225 -15.975) 18.765 10.359 ( 5.240 -5.102 2.723) 7.804 10.359 ( 5.240 5.102 2.723) 7.804 10.506 ( -4.628 -1.036 3.443) 5.861 10.506 ( -4.628 1.036 3.443) 5.861 10.632 ( -5.354 -6.167 -6.760) 10.601 10.632 ( -5.354 6.167 -6.760) 10.601 10.700 ( 1.012 -1.235 -2.557) 3.014 10.700 ( 1.012 1.235 -2.557) 3.014 10.909 ( -6.068 -3.922 1.382) 7.356 10.909 ( -6.068 3.922 1.382) 7.356 11.081 ( -4.914 -3.373 -4.448) 7.437 11.081 ( -4.914 3.373 -4.448) 7.437 11.233 ( -4.252 -3.175 -3.515) 6.365 11.233 ( -4.252 3.175 -3.515) 6.365 11.414 ( -0.578 -2.962 -1.766) 3.497 11.414 ( -0.578 2.962 -1.766) 3.497 11.586 ( 0.842 -1.745 -0.195) 1.947 11.586 ( 0.842 1.745 -0.195) 1.947 11.780 ( 1.985 -2.069 1.144) 3.087 11.780 ( 1.985 2.069 1.144) 3.087 11.877 ( 0.001 -7.870 -0.911) 7.923 11.877 ( 0.001 7.870 -0.911) 7.923 12.058 ( 4.564 -6.060 -5.692) 9.485 12.058 ( 4.564 6.060 -5.692) 9.485 12.176 ( 0.417 -2.269 -3.100) 3.864 12.176 ( 0.417 2.269 -3.100) 3.864 12.343 ( 0.849 -1.496 -1.912) 2.572 12.343 ( 0.849 1.496 -1.912) 2.572 12.476 ( 0.418 -1.240 -1.391) 1.910 12.476 ( 0.418 1.240 -1.391) 1.910 12.664 ( -7.277 -1.485 0.396) 7.438 12.664 ( -7.277 1.485 0.396) 7.438 12.960 ( -0.374 -2.507 -3.202) 4.084 12.960 ( -0.374 2.507 -3.202) 4.084 13.315 ( -0.213 -1.449 4.943) 5.156 13.315 ( -0.213 1.449 4.943) 5.156 13.339 ( -2.125 -3.934 6.929) 8.246 13.339 ( -2.125 3.934 6.929) 8.246 13.695 ( 6.226 -5.075 0.296) 8.038 13.695 ( 6.226 5.075 0.296) 8.038 13.744 ( -0.419 -5.320 2.639) 5.953 13.744 ( -0.419 5.320 2.639) 5.953 14.031 ( 0.470 -6.159 -2.380) 6.620 14.031 ( 0.470 6.159 -2.380) 6.620 14.216 ( -0.701 -6.165 4.402) 7.607 14.216 ( -0.701 6.165 4.402) 7.607 14.407 ( 3.914 -4.908 2.095) 6.618 14.407 ( 3.914 4.908 2.095) 6.618 14.563 ( -0.609 -3.568 1.492) 3.915 14.563 ( -0.609 3.568 1.492) 3.915 14.678 ( 2.661 -0.646 0.045) 2.738 14.678 ( 2.661 0.646 0.045) 2.738 14.940 ( 2.842 -3.228 2.126) 4.798 14.940 ( 2.842 3.228 2.126) 4.798 15.076 ( -3.900 -2.765 3.401) 5.867 15.076 ( -3.900 2.765 3.401) 5.867 15.199 ( -3.280 -3.888 -1.072) 5.199 15.199 ( -3.280 3.888 -1.072) 5.199 15.361 ( 4.250 -2.974 -0.723) 5.237 15.361 ( 4.250 2.974 -0.723) 5.237 15.590 ( 1.278 -6.621 -2.522) 7.200 15.590 ( 1.278 6.621 -2.522) 7.200 15.657 ( 2.118 -2.686 0.869) 3.529 15.657 ( 2.118 2.686 0.869) 3.529 15.782 ( 0.370 -6.512 -2.761) 7.082 15.782 ( 0.370 6.512 -2.761) 7.082 16.145 ( -3.527 -5.463 -1.581) 6.692 16.145 ( -3.527 5.463 -1.581) 6.692 16.241 ( -1.045 -3.210 1.818) 3.834 16.241 ( -1.045 3.210 1.818) 3.834 16.468 ( -4.429 -6.678 0.433) 8.025 16.468 ( -4.429 6.678 0.433) 8.025 16.630 ( 4.264 -2.855 5.022) 7.180 16.630 ( 4.264 2.855 5.022) 7.180 17.599 ( -2.375 -2.396 0.578) 3.423 17.599 ( -2.375 2.396 0.578) 3.423 17.708 ( -3.271 -3.195 -1.666) 4.866 17.708 ( -3.271 3.195 -1.666) 4.866 18.316 ( -1.703 -3.756 6.332) 7.557 18.316 ( -1.703 3.756 6.332) 7.557 18.727 ( 4.177 -4.436 -3.004) 6.794 18.727 ( 4.177 4.436 -3.004) 6.794 19.548 ( -3.557 -5.048 3.671) 7.184 19.548 ( -3.557 5.048 3.671) 7.184 19.727 ( -0.791 -2.020 -1.142) 2.451 19.727 ( -0.791 2.020 -1.142) 2.451 20.252 ( -3.227 -0.675 3.909) 5.114 20.252 ( -3.227 0.675 3.909) 5.114 20.758 ( 0.882 -2.672 0.630) 2.883 20.758 ( 0.882 2.672 0.630) 2.883 21.225 ( 3.227 -0.968 2.900) 4.445 21.225 ( 3.227 0.968 2.900) 4.445 21.365 ( 1.249 -0.789 4.072) 4.332 21.365 ( 1.249 0.789 4.072) 4.332 21.743 ( 1.095 -6.223 -4.589) 7.809 21.743 ( 1.095 6.223 -4.589) 7.809 22.057 ( -0.905 -1.922 -3.895) 4.437 22.057 ( -0.905 1.922 -3.895) 4.437 22.605 ( 0.420 -9.267 4.754) 10.424 22.605 ( 0.420 9.267 4.754) 10.424 23.187 ( 0.892 -10.512 -0.599) 10.567 23.187 ( 0.892 10.512 -0.599) 10.567 24.193 ( 0.550 -3.688 1.118) 3.893 24.193 ( 0.550 3.688 1.118) 3.893 24.794 ( 8.363 -8.744 0.966) 12.138 24.794 ( 8.363 8.744 0.966) 12.138 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -18.310 -20.334 -4.008) 27.655 1.469 ( -18.310 20.334 -4.008) 27.655 1.611 ( -13.946 -21.036 -5.484) 25.828 1.611 ( -13.946 21.036 -5.484) 25.828 2.018 ( -2.250 -0.970 -0.949) 2.627 2.018 ( -2.250 0.970 -0.949) 2.627 2.259 ( -3.496 -2.013 -0.884) 4.130 2.259 ( -3.496 2.013 -0.884) 4.130 2.430 ( -3.120 -3.954 5.813) 7.692 2.430 ( -3.120 3.954 5.813) 7.692 2.593 ( -0.534 -4.185 3.088) 5.229 2.593 ( -0.534 4.185 3.088) 5.229 2.660 ( 1.475 -0.901 -2.007) 2.649 2.660 ( 1.475 0.901 -2.007) 2.649 2.804 ( -4.899 -5.080 6.668) 9.709 2.804 ( -4.899 5.080 6.668) 9.709 3.167 ( -4.439 -6.057 0.662) 7.538 3.167 ( -4.439 6.057 0.662) 7.538 3.362 ( -4.897 -10.612 -2.272) 11.906 3.362 ( -4.897 10.612 -2.272) 11.906 3.417 ( -3.259 -3.526 0.775) 4.863 3.417 ( -3.259 3.526 0.775) 4.863 3.576 ( 1.254 -3.980 0.716) 4.234 3.576 ( 1.254 3.980 0.716) 4.234 3.718 ( -5.633 -7.136 -1.117) 9.159 3.718 ( -5.633 7.136 -1.117) 9.159 3.972 ( -2.657 -4.617 -0.693) 5.372 3.972 ( -2.657 4.617 -0.693) 5.372 4.152 ( -5.225 -5.845 2.005) 8.092 4.152 ( -5.225 5.845 2.005) 8.092 4.334 ( -4.772 -2.349 -9.624) 10.996 4.334 ( -4.772 2.349 -9.624) 10.996 4.567 ( -4.592 -4.704 -5.642) 8.663 4.567 ( -4.592 4.704 -5.642) 8.663 5.043 ( -4.754 -6.018 -0.933) 7.726 5.043 ( -4.754 6.018 -0.933) 7.726 5.311 ( 3.617 -1.778 0.656) 4.083 5.311 ( 3.617 1.778 0.656) 4.083 5.402 ( -5.606 -5.835 6.553) 10.412 5.402 ( -5.606 5.835 6.553) 10.412 5.647 ( -5.375 -4.680 6.298) 9.511 5.647 ( -5.375 4.680 6.298) 9.511 5.790 ( -0.717 -6.119 0.226) 6.165 5.790 ( -0.717 6.119 0.226) 6.165 5.885 ( 5.629 -5.953 2.803) 8.659 5.885 ( 5.629 5.953 2.803) 8.659 6.093 ( -0.165 -4.846 1.437) 5.057 6.093 ( -0.165 4.846 1.437) 5.057 6.241 ( -0.211 -1.231 0.295) 1.284 6.241 ( -0.211 1.231 0.295) 1.284 6.355 ( 8.044 -5.598 1.223) 9.876 6.355 ( 8.044 5.598 1.223) 9.876 6.564 ( 9.025 -5.637 -2.244) 10.875 6.564 ( 9.025 5.637 -2.244) 10.875 6.944 ( -2.821 -6.977 4.313) 8.674 6.944 ( -2.821 6.977 4.313) 8.674 7.049 ( 13.857 -4.264 8.097) 16.606 7.049 ( 13.857 4.264 8.097) 16.606 7.157 ( 2.033 -1.940 1.718) 3.294 7.157 ( 2.033 1.940 1.718) 3.294 7.259 ( 3.721 -4.361 3.320) 6.625 7.259 ( 3.721 4.361 3.320) 6.625 7.304 ( -2.795 -1.846 -0.962) 3.485 7.304 ( -2.795 1.846 -0.962) 3.485 7.496 ( 3.097 -6.354 -2.044) 7.359 7.496 ( 3.097 6.354 -2.044) 7.359 7.574 ( -4.290 -4.110 3.736) 7.018 7.574 ( -4.290 4.110 3.736) 7.018 7.872 ( -2.218 -2.307 -0.651) 3.266 7.872 ( -2.218 2.307 -0.651) 3.266 8.055 ( 7.263 -2.253 -4.454) 8.813 8.055 ( 7.263 2.253 -4.454) 8.813 8.108 ( 1.684 -2.428 1.140) 3.167 8.108 ( 1.684 2.428 1.140) 3.167 8.272 ( 9.753 -4.877 4.315) 11.727 8.272 ( 9.753 4.877 4.315) 11.727 8.426 ( -3.916 -6.089 -8.326) 11.033 8.426 ( -3.916 6.089 -8.326) 11.033 8.594 ( -2.804 -6.441 -1.700) 7.228 8.594 ( -2.804 6.441 -1.700) 7.228 8.741 ( 0.823 -2.969 2.844) 4.193 8.741 ( 0.823 2.969 2.844) 4.193 8.922 ( 4.731 -4.964 -6.470) 9.428 8.922 ( 4.731 4.964 -6.470) 9.428 8.986 ( -3.191 -2.011 -7.104) 8.044 8.986 ( -3.191 2.011 -7.104) 8.044 9.139 ( -1.252 -4.505 2.573) 5.337 9.139 ( -1.252 4.505 2.573) 5.337 9.302 ( -1.083 -4.875 -4.511) 6.730 9.302 ( -1.083 4.875 -4.511) 6.730 9.449 ( -3.176 -0.753 -0.309) 3.279 9.449 ( -3.176 0.753 -0.309) 3.279 9.757 ( 2.215 -1.791 -4.581) 5.395 9.757 ( 2.215 1.791 -4.581) 5.395 10.001 ( -1.518 -4.469 -10.745) 11.736 10.001 ( -1.518 4.469 -10.745) 11.736 10.180 ( 2.162 -5.179 -2.872) 6.305 10.180 ( 2.162 5.179 -2.872) 6.305 10.329 ( -5.282 -3.047 -3.856) 7.214 10.329 ( -5.282 3.047 -3.856) 7.214 10.484 ( -3.902 -0.568 2.783) 4.826 10.484 ( -3.902 0.568 2.783) 4.826 10.643 ( 4.014 -12.373 0.390) 13.014 10.643 ( 4.014 12.373 0.390) 13.014 10.684 ( 2.245 -0.366 0.170) 2.281 10.684 ( 2.245 0.366 0.170) 2.281 10.876 ( 0.791 -5.885 -1.991) 6.262 10.876 ( 0.791 5.885 -1.991) 6.262 10.957 ( -6.687 -1.701 2.310) 7.276 10.957 ( -6.687 1.701 2.310) 7.276 11.181 ( -0.831 -0.892 3.153) 3.380 11.181 ( -0.831 0.892 3.153) 3.380 11.414 ( 2.182 -5.137 -3.065) 6.367 11.414 ( 2.182 5.137 -3.065) 6.367 11.553 ( -2.340 -3.772 -1.046) 4.561 11.553 ( -2.340 3.772 -1.046) 4.561 11.790 ( -6.132 -1.094 -0.932) 6.298 11.790 ( -6.132 1.094 -0.932) 6.298 11.889 ( 4.947 -2.535 1.208) 5.688 11.889 ( 4.947 2.535 1.208) 5.688 12.074 ( 4.829 -5.044 -0.412) 6.995 12.074 ( 4.829 5.044 -0.412) 6.995 12.176 ( 1.665 -0.440 -1.363) 2.196 12.176 ( 1.665 0.440 -1.363) 2.196 12.381 ( 3.105 -2.480 -1.019) 4.103 12.381 ( 3.105 2.480 -1.019) 4.103 12.472 ( -1.467 -2.437 4.011) 4.917 12.472 ( -1.467 2.437 4.011) 4.917 12.563 ( -5.609 -3.251 0.536) 6.505 12.563 ( -5.609 3.251 0.536) 6.505 12.903 ( -1.533 -3.398 -2.079) 4.268 12.903 ( -1.533 3.398 -2.079) 4.268 13.235 ( -9.130 -6.501 2.092) 11.402 13.235 ( -9.130 6.501 2.092) 11.402 13.553 ( 7.011 -4.919 2.577) 8.944 13.553 ( 7.011 4.919 2.577) 8.944 13.570 ( -0.338 -3.702 -0.878) 3.819 13.570 ( -0.338 3.702 -0.878) 3.819 13.914 ( 5.216 -3.522 1.421) 6.452 13.914 ( 5.216 3.522 1.421) 6.452 14.050 ( 1.231 -5.536 3.432) 6.629 14.050 ( 1.231 5.536 3.432) 6.629 14.264 ( 1.079 -5.657 1.525) 5.957 14.264 ( 1.079 5.657 1.525) 5.957 14.435 ( -0.008 -4.537 -0.729) 4.595 14.435 ( -0.008 4.537 -0.729) 4.595 14.600 ( -0.041 -2.407 1.873) 3.050 14.600 ( -0.041 2.407 1.873) 3.050 14.757 ( 4.672 -7.172 2.702) 8.976 14.757 ( 4.672 7.172 2.702) 8.976 14.941 ( -0.877 -1.877 -2.051) 2.915 14.941 ( -0.877 1.877 -2.051) 2.915 15.051 ( -0.058 -2.886 -0.443) 2.921 15.051 ( -0.058 2.886 -0.443) 2.921 15.117 ( -2.531 -5.772 -3.244) 7.088 15.117 ( -2.531 5.772 -3.244) 7.088 15.451 ( 2.670 -2.345 1.745) 3.959 15.451 ( 2.670 2.345 1.745) 3.959 15.594 ( -0.767 -8.031 1.548) 8.214 15.594 ( -0.767 8.031 1.548) 8.214 15.649 ( 1.311 -4.190 -2.505) 5.055 15.649 ( 1.311 4.190 -2.505) 5.055 15.830 ( 5.595 -8.028 0.086) 9.786 15.830 ( 5.595 8.028 0.086) 9.786 16.059 ( -5.370 -6.793 -0.969) 8.714 16.059 ( -5.370 6.793 -0.969) 8.714 16.257 ( 0.223 -5.902 2.419) 6.382 16.257 ( 0.223 5.902 2.419) 6.382 16.422 ( -2.201 -3.388 0.985) 4.159 16.422 ( -2.201 3.388 0.985) 4.159 16.744 ( 3.556 -3.215 2.977) 5.643 16.744 ( 3.556 3.215 2.977) 5.643 17.534 ( -3.539 -2.323 -0.095) 4.234 17.534 ( -3.539 2.323 -0.095) 4.234 17.696 ( -0.516 -3.180 1.133) 3.415 17.696 ( -0.516 3.180 1.133) 3.415 18.345 ( -4.146 -4.697 4.420) 7.667 18.345 ( -4.146 4.697 4.420) 7.667 18.764 ( 6.082 -3.766 -3.065) 7.782 18.764 ( 6.082 3.766 -3.065) 7.782 19.453 ( -9.690 -2.807 -1.170) 10.156 19.453 ( -9.690 2.807 -1.170) 10.156 19.744 ( 0.999 -1.461 1.589) 2.378 19.744 ( 0.999 1.461 1.589) 2.378 20.153 ( -9.424 -6.167 -2.873) 11.623 20.153 ( -9.424 6.167 -2.873) 11.623 20.803 ( 1.353 -3.208 2.748) 4.436 20.803 ( 1.353 3.208 2.748) 4.436 21.283 ( 1.948 -2.197 -1.195) 3.170 21.283 ( 1.948 2.197 -1.195) 3.170 21.437 ( 1.625 -4.064 4.504) 6.281 21.437 ( 1.625 4.064 4.504) 6.281 21.683 ( 1.421 -7.439 -5.851) 9.570 21.683 ( 1.421 7.439 -5.851) 9.570 22.035 ( -0.798 -2.934 0.959) 3.188 22.035 ( -0.798 2.934 0.959) 3.188 22.655 ( -2.145 -14.707 3.185) 15.200 22.655 ( -2.145 14.707 3.185) 15.200 23.206 ( 4.796 -7.904 -1.828) 9.424 23.206 ( 4.796 7.904 -1.828) 9.424 24.278 ( 6.207 -3.705 4.910) 8.739 24.278 ( 6.207 3.705 4.910) 8.739 24.889 ( 6.684 -12.225 -5.194) 14.869 24.889 ( 6.684 12.225 -5.194) 14.869 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -10.445 -22.631 7.901) 26.147 1.277 ( -10.445 22.631 7.901) 26.147 1.432 ( -10.973 -25.469 8.592) 29.033 1.432 ( -10.973 25.469 8.592) 29.033 2.018 ( 0.327 -1.053 1.511) 1.871 2.018 ( 0.327 1.053 1.511) 1.871 2.195 ( -5.316 -12.432 2.542) 13.758 2.195 ( -5.316 12.432 2.542) 13.758 2.434 ( -5.583 -1.381 3.531) 6.748 2.434 ( -5.583 1.381 3.531) 6.748 2.608 ( 1.671 -5.514 1.766) 6.026 2.608 ( 1.671 5.514 1.766) 6.026 2.699 ( -0.043 -2.163 3.282) 3.931 2.699 ( -0.043 2.163 3.282) 3.931 2.758 ( -8.484 -7.780 0.682) 11.531 2.758 ( -8.484 7.780 0.682) 11.531 3.063 ( -7.745 -6.977 6.290) 12.175 3.063 ( -7.745 6.977 6.290) 12.175 3.304 ( -3.863 -8.228 -0.283) 9.094 3.304 ( -3.863 8.228 -0.283) 9.094 3.393 ( 1.560 -7.713 1.966) 8.111 3.393 ( 1.560 7.713 1.966) 8.111 3.613 ( 1.194 -3.445 -0.848) 3.744 3.613 ( 1.194 3.445 -0.848) 3.744 3.719 ( 2.650 -3.357 0.797) 4.350 3.719 ( 2.650 3.357 0.797) 4.350 3.960 ( -3.081 -4.747 0.710) 5.703 3.960 ( -3.081 4.747 0.710) 5.703 4.117 ( -6.000 -3.552 -8.787) 11.217 4.117 ( -6.000 3.552 -8.787) 11.217 4.188 ( 3.200 -4.288 8.495) 10.039 4.188 ( 3.200 4.288 8.495) 10.039 4.471 ( 1.357 -2.563 -5.818) 6.500 4.471 ( 1.357 2.563 -5.818) 6.500 5.007 ( 1.293 -8.546 0.341) 8.650 5.007 ( 1.293 8.546 0.341) 8.650 5.277 ( -1.351 -2.940 -6.113) 6.916 5.277 ( -1.351 2.940 -6.113) 6.916 5.421 ( -1.630 -2.439 3.008) 4.202 5.421 ( -1.630 2.439 3.008) 4.202 5.661 ( -2.214 -1.445 5.473) 6.078 5.661 ( -2.214 1.445 5.473) 6.078 5.807 ( -3.380 -9.145 1.243) 9.828 5.807 ( -3.380 9.145 1.243) 9.828 5.960 ( 1.957 -3.888 -1.198) 4.515 5.960 ( 1.957 3.888 -1.198) 4.515 6.032 ( -3.712 -6.170 -2.034) 7.482 6.032 ( -3.712 6.170 -2.034) 7.482 6.270 ( 1.326 -2.059 1.368) 2.805 6.270 ( 1.326 2.059 1.368) 2.805 6.535 ( 8.575 -7.731 3.328) 12.016 6.535 ( 8.575 7.731 3.328) 12.016 6.699 ( 7.732 -5.206 3.424) 9.930 6.699 ( 7.732 5.206 3.424) 9.930 6.852 ( -6.675 -9.334 -5.124) 12.567 6.852 ( -6.675 9.334 -5.124) 12.567 7.111 ( -4.646 -7.375 -1.168) 8.794 7.111 ( -4.646 7.375 -1.168) 8.794 7.201 ( 0.948 -4.245 -1.736) 4.683 7.201 ( 0.948 4.245 -1.736) 4.683 7.290 ( 6.484 -1.439 -0.022) 6.641 7.290 ( 6.484 1.439 -0.022) 6.641 7.396 ( -1.196 -3.177 0.718) 3.470 7.396 ( -1.196 3.177 0.718) 3.470 7.456 ( 0.407 -8.233 -2.926) 8.747 7.456 ( 0.407 8.233 -2.926) 8.747 7.503 ( -1.775 -5.150 -1.358) 5.614 7.503 ( -1.775 5.150 -1.358) 5.614 7.724 ( -6.412 -4.939 -0.895) 8.143 7.724 ( -6.412 4.939 -0.895) 8.143 7.949 ( -1.021 -1.980 -3.195) 3.895 7.949 ( -1.021 1.980 -3.195) 3.895 8.236 ( 0.707 -5.879 -0.144) 5.923 8.236 ( 0.707 5.879 -0.144) 5.923 8.283 ( 8.062 -0.627 -1.924) 8.312 8.283 ( 8.062 0.627 -1.924) 8.312 8.504 ( -2.505 -2.347 -0.501) 3.469 8.504 ( -2.505 2.347 -0.501) 3.469 8.637 ( 5.041 -1.349 5.297) 7.436 8.637 ( 5.041 1.349 5.297) 7.436 8.750 ( -1.554 -1.231 -1.336) 2.391 8.750 ( -1.554 1.231 -1.336) 2.391 8.860 ( 5.820 -2.070 -6.470) 8.945 8.860 ( 5.820 2.070 -6.470) 8.945 9.027 ( 3.139 -4.390 3.831) 6.618 9.027 ( 3.139 4.390 3.831) 6.618 9.101 ( -3.234 -3.028 -1.163) 4.581 9.101 ( -3.234 3.028 -1.163) 4.581 9.277 ( -1.287 -4.798 2.117) 5.400 9.277 ( -1.287 4.798 2.117) 5.400 9.439 ( 0.048 -2.017 1.653) 2.608 9.439 ( 0.048 2.017 1.653) 2.608 9.760 ( 1.460 -5.104 -6.304) 8.242 9.760 ( 1.460 5.104 -6.304) 8.242 9.849 ( 3.321 -1.862 -5.467) 6.662 9.849 ( 3.321 1.862 -5.467) 6.662 10.186 ( -1.735 -6.122 0.920) 6.430 10.186 ( -1.735 6.122 0.920) 6.430 10.284 ( -0.923 -5.831 7.280) 9.373 10.284 ( -0.923 5.831 7.280) 9.373 10.443 ( -3.957 -1.099 2.554) 4.836 10.443 ( -3.957 1.099 2.554) 4.836 10.609 ( 1.009 -6.565 -5.847) 8.849 10.609 ( 1.009 6.565 -5.847) 8.849 10.734 ( 2.005 -0.852 -1.546) 2.671 10.734 ( 2.005 0.852 -1.546) 2.671 10.926 ( 3.856 -3.428 2.378) 5.681 10.926 ( 3.856 3.428 2.378) 5.681 10.977 ( 1.000 -7.858 5.031) 9.384 10.977 ( 1.000 7.858 5.031) 9.384 11.239 ( -1.980 -2.570 4.115) 5.240 11.239 ( -1.980 2.570 4.115) 5.240 11.414 ( 1.669 -6.269 2.298) 6.883 11.414 ( 1.669 6.269 2.298) 6.883 11.546 ( 4.369 -1.540 -0.585) 4.669 11.546 ( 4.369 1.540 -0.585) 4.669 11.696 ( -3.382 -2.524 -0.052) 4.221 11.696 ( -3.382 2.524 -0.052) 4.221 11.941 ( 0.840 -2.165 -1.056) 2.551 11.941 ( 0.840 2.165 -1.056) 2.551 12.114 ( 1.925 -1.204 -2.953) 3.725 12.114 ( 1.925 1.204 -2.953) 3.725 12.190 ( -5.256 -2.043 4.545) 7.243 12.190 ( -5.256 2.043 4.545) 7.243 12.366 ( -1.427 -1.563 2.106) 2.986 12.366 ( -1.427 1.563 2.106) 2.986 12.514 ( -4.400 -1.573 6.035) 7.633 12.514 ( -4.400 1.573 6.035) 7.633 12.552 ( 2.219 -2.062 1.385) 3.331 12.552 ( 2.219 2.062 1.385) 3.331 12.882 ( -0.973 -2.503 0.980) 2.859 12.882 ( -0.973 2.503 0.980) 2.859 13.150 ( -5.508 -8.560 2.803) 10.558 13.150 ( -5.508 8.560 2.803) 10.558 13.475 ( 2.301 -1.444 -5.096) 5.775 13.475 ( 2.301 1.444 -5.096) 5.775 13.791 ( 5.271 -8.594 8.375) 13.106 13.791 ( 5.271 8.594 8.375) 13.106 13.966 ( 0.707 -2.617 -0.300) 2.727 13.966 ( 0.707 2.617 -0.300) 2.727 14.042 ( -2.314 -1.973 -4.890) 5.759 14.042 ( -2.314 1.973 -4.890) 5.759 14.257 ( 1.510 -5.518 -4.687) 7.396 14.257 ( 1.510 5.518 -4.687) 7.396 14.428 ( 1.152 -3.275 -2.509) 4.283 14.428 ( 1.152 3.275 -2.509) 4.283 14.596 ( -0.532 -0.936 -0.938) 1.428 14.596 ( -0.532 0.936 -0.938) 1.428 14.800 ( -4.237 -4.742 0.060) 6.360 14.800 ( -4.237 4.742 0.060) 6.360 14.896 ( 2.841 -3.451 -2.942) 5.351 14.896 ( 2.841 3.451 -2.942) 5.351 15.077 ( 0.809 -3.819 -1.527) 4.192 15.077 ( 0.809 3.819 -1.527) 4.192 15.120 ( 5.181 -0.547 3.968) 6.548 15.120 ( 5.181 0.547 3.968) 6.548 15.417 ( -2.216 -5.792 -4.649) 7.750 15.417 ( -2.216 5.792 -4.649) 7.750 15.611 ( -1.338 -2.910 1.392) 3.492 15.611 ( -1.338 2.910 1.392) 3.492 15.660 ( 1.609 -7.137 -0.053) 7.316 15.660 ( 1.609 7.137 -0.053) 7.316 15.902 ( 3.208 -5.219 1.896) 6.413 15.902 ( 3.208 5.219 1.896) 6.413 15.995 ( -3.328 -5.632 1.700) 6.759 15.995 ( -3.328 5.632 1.700) 6.759 16.303 ( 2.477 -2.279 0.056) 3.367 16.303 ( 2.477 2.279 0.056) 3.367 16.428 ( -0.524 -1.644 2.297) 2.873 16.428 ( -0.524 1.644 2.297) 2.873 16.791 ( 1.463 -1.581 -1.656) 2.717 16.791 ( 1.463 1.581 -1.656) 2.717 17.503 ( -2.176 -0.658 0.208) 2.283 17.503 ( -2.176 0.658 0.208) 2.283 17.709 ( 0.630 -1.922 0.727) 2.149 17.709 ( 0.630 1.922 0.727) 2.149 18.298 ( -6.560 -6.368 1.708) 9.300 18.298 ( -6.560 6.368 1.708) 9.300 18.831 ( 8.740 -2.193 -3.998) 9.858 18.831 ( 8.740 2.193 -3.998) 9.858 19.263 ( -10.915 -5.707 -3.053) 12.690 19.263 ( -10.915 5.707 -3.053) 12.690 19.781 ( -1.378 -1.085 5.591) 5.859 19.781 ( -1.378 1.085 5.591) 5.859 19.991 ( -5.198 -4.742 -2.115) 7.347 19.991 ( -5.198 4.742 -2.115) 7.347 20.844 ( -0.486 -4.430 2.426) 5.074 20.844 ( -0.486 4.430 2.426) 5.074 21.262 ( 2.329 -3.115 -6.039) 7.183 21.262 ( 2.329 3.115 -6.039) 7.183 21.501 ( 0.769 -0.771 2.012) 2.288 21.501 ( 0.769 0.771 2.012) 2.288 21.682 ( 2.985 -7.919 0.425) 8.473 21.682 ( 2.985 7.919 0.425) 8.473 22.021 ( -3.087 -3.231 0.517) 4.498 22.021 ( -3.087 3.231 0.517) 4.498 22.621 ( -4.974 -12.846 2.577) 14.015 22.621 ( -4.974 12.846 2.577) 14.015 23.268 ( 7.092 -3.414 -5.018) 9.335 23.268 ( 7.092 3.414 -5.018) 9.335 24.466 ( 7.770 -3.966 3.403) 9.364 24.466 ( 7.770 3.966 3.403) 9.364 24.833 ( 3.806 -9.487 -13.907) 17.259 24.833 ( 3.806 9.487 -13.907) 17.259 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 6.842 0.000 28.945) 29.743 1.362 ( -0.543 0.000 29.148) 29.153 1.928 ( -0.554 0.000 12.936) 12.947 2.019 ( -3.745 0.000 0.825) 3.834 2.091 ( 0.778 0.000 5.632) 5.686 2.115 ( -2.883 0.000 -0.447) 2.918 2.138 ( 8.667 0.000 7.478) 11.447 2.189 ( 0.921 0.000 1.957) 2.163 2.330 ( -7.221 0.000 -2.100) 7.520 2.416 ( -4.210 0.000 -4.761) 6.356 2.529 ( 0.198 0.000 -0.704) 0.731 2.553 ( -2.276 0.000 -1.702) 2.842 2.701 ( -5.136 0.000 8.560) 9.982 2.791 ( -0.162 0.000 0.882) 0.897 2.905 ( -7.501 0.000 -2.418) 7.881 3.083 ( -2.061 0.000 3.287) 3.880 3.132 ( -9.796 0.000 8.231) 12.795 3.229 ( -4.693 0.000 16.419) 17.076 3.304 ( -10.408 0.000 -9.059) 13.798 3.375 ( 2.242 0.000 7.213) 7.554 3.458 ( 1.949 0.000 -2.105) 2.869 3.509 ( 6.254 0.000 23.930) 24.734 3.556 ( -4.718 0.000 1.853) 5.069 3.561 ( -3.906 0.000 -4.426) 5.903 3.667 ( -3.839 0.000 -8.122) 8.984 3.854 ( 0.532 0.000 5.618) 5.643 3.913 ( 0.082 0.000 0.087) 0.119 4.085 ( 6.052 0.000 -5.877) 8.436 4.232 ( 0.774 0.000 -3.761) 3.840 4.267 ( -6.283 0.000 7.301) 9.632 4.349 ( 6.035 0.000 -10.879) 12.441 4.360 ( 3.853 0.000 4.988) 6.303 4.498 ( -2.216 0.000 -7.983) 8.285 4.729 ( 9.785 0.000 14.293) 17.322 4.955 ( -8.988 0.000 0.403) 8.997 5.093 ( 4.389 0.000 5.762) 7.243 5.138 ( -8.790 0.000 -7.681) 11.673 5.241 ( 2.218 0.000 7.981) 8.284 5.354 ( 9.786 0.000 5.228) 11.095 5.464 ( 0.682 0.000 -2.460) 2.552 5.503 ( 6.228 0.000 0.620) 6.259 5.561 ( 0.917 0.000 -3.595) 3.710 5.748 ( -2.308 0.000 -2.873) 3.685 5.814 ( -7.491 0.000 -1.197) 7.586 5.826 ( 2.521 0.000 8.374) 8.745 5.893 ( 1.314 0.000 8.384) 8.486 5.997 ( 6.534 0.000 0.328) 6.542 6.103 ( 2.983 0.000 4.303) 5.236 6.196 ( 0.542 0.000 0.851) 1.009 6.196 ( 0.826 0.000 0.758) 1.121 6.301 ( -4.467 0.000 -0.932) 4.563 6.509 ( -7.070 0.000 5.161) 8.753 6.627 ( -1.102 0.000 -4.007) 4.156 6.692 ( 2.583 0.000 -14.688) 14.914 6.772 ( -1.763 0.000 -8.379) 8.562 6.928 ( -1.630 0.000 -0.661) 1.759 6.979 ( -5.290 0.000 -6.866) 8.668 7.066 ( 4.236 0.000 4.491) 6.173 7.144 ( -0.519 0.000 4.564) 4.594 7.151 ( -0.961 0.000 -2.394) 2.580 7.213 ( 0.996 0.000 -0.878) 1.328 7.238 ( -0.785 0.000 3.882) 3.961 7.339 ( 0.729 0.000 -1.663) 1.816 7.433 ( -0.587 0.000 -1.576) 1.681 7.445 ( -0.773 0.000 3.341) 3.429 7.561 ( -5.696 0.000 -4.208) 7.082 7.577 ( 3.379 0.000 -0.791) 3.470 7.645 ( -2.131 0.000 -9.991) 10.216 7.730 ( 13.304 0.000 0.562) 13.316 7.835 ( -7.639 0.000 -21.903) 23.197 7.995 ( -19.491 0.000 -0.214) 19.492 8.012 ( 9.791 0.000 -3.782) 10.496 8.087 ( 7.722 0.000 -8.818) 11.721 8.215 ( -2.547 0.000 -4.476) 5.150 8.268 ( 9.140 0.000 6.065) 10.969 8.335 ( 9.495 0.000 -4.270) 10.411 8.375 ( 3.297 0.000 6.538) 7.322 8.482 ( -17.979 0.000 -6.818) 19.228 8.515 ( -9.070 0.000 -6.147) 10.957 8.557 ( 1.159 0.000 -1.047) 1.562 8.616 ( 5.976 0.000 -4.241) 7.328 8.679 ( 2.465 0.000 0.526) 2.521 8.822 ( 3.850 0.000 -0.970) 3.971 8.888 ( 2.731 0.000 5.288) 5.952 8.914 ( -7.431 0.000 1.854) 7.659 8.933 ( 7.409 0.000 1.507) 7.561 9.133 ( 8.617 0.000 0.839) 8.657 9.183 ( 1.662 0.000 -0.527) 1.744 9.331 ( 0.044 0.000 -9.538) 9.538 9.357 ( 5.406 0.000 -4.912) 7.304 9.432 ( 0.331 0.000 15.237) 15.241 9.707 ( -0.084 0.000 13.681) 13.681 9.782 ( 0.445 0.000 -5.017) 5.037 9.983 ( 0.963 0.000 -5.163) 5.252 9.995 ( 1.546 0.000 -4.238) 4.511 10.024 ( -5.694 0.000 16.383) 17.344 10.120 ( -9.248 0.000 -4.733) 10.389 10.241 ( 3.228 0.000 10.827) 11.298 10.281 ( 3.012 0.000 13.088) 13.430 10.405 ( 10.754 0.000 4.780) 11.769 10.418 ( 3.491 0.000 2.621) 4.365 10.566 ( 4.473 0.000 -0.310) 4.483 10.628 ( -0.958 0.000 -1.952) 2.175 10.674 ( 5.065 0.000 -2.216) 5.528 10.753 ( 5.676 0.000 -4.012) 6.951 10.927 ( 0.226 0.000 13.281) 13.282 10.984 ( -6.371 0.000 -1.955) 6.664 11.020 ( 0.123 0.000 -3.787) 3.789 11.133 ( -6.961 0.000 -1.608) 7.144 11.139 ( -1.275 0.000 9.947) 10.028 11.218 ( -4.191 0.000 8.367) 9.358 11.331 ( 5.790 0.000 5.165) 7.759 11.476 ( 9.212 0.000 6.094) 11.045 11.513 ( -0.977 0.000 -5.639) 5.723 11.621 ( -1.384 0.000 1.604) 2.118 11.731 ( -3.587 0.000 3.066) 4.719 11.817 ( 5.139 0.000 7.007) 8.689 11.901 ( -0.985 0.000 0.931) 1.355 11.978 ( -10.485 0.000 5.840) 12.001 11.981 ( 2.858 0.000 -3.799) 4.754 12.066 ( 1.131 0.000 -2.733) 2.958 12.188 ( -1.862 0.000 -0.360) 1.896 12.262 ( 0.800 0.000 0.098) 0.806 12.267 ( 3.190 0.000 -1.127) 3.384 12.386 ( -2.650 0.000 4.297) 5.048 12.478 ( 2.854 0.000 -1.204) 3.097 12.592 ( 1.286 0.000 -3.235) 3.481 12.603 ( -1.163 0.000 5.750) 5.866 12.648 ( 0.754 0.000 2.002) 2.139 12.699 ( -2.999 0.000 12.302) 12.662 12.825 ( -6.720 0.000 1.166) 6.820 13.026 ( -1.420 0.000 5.282) 5.470 13.068 ( 3.450 0.000 1.519) 3.770 13.337 ( -6.515 0.000 -7.477) 9.917 13.427 ( 4.839 0.000 -3.568) 6.012 13.593 ( -3.341 0.000 -5.121) 6.114 13.698 ( -5.509 0.000 -8.186) 9.867 13.714 ( 12.032 0.000 -2.263) 12.243 13.771 ( -2.528 0.000 -16.619) 16.810 13.867 ( -6.069 0.000 -5.775) 8.378 13.903 ( 1.569 0.000 -3.085) 3.461 14.051 ( -7.064 0.000 -0.100) 7.065 14.105 ( -6.919 0.000 -6.237) 9.316 14.108 ( 1.852 0.000 -13.373) 13.501 14.151 ( 6.517 0.000 -5.310) 8.406 14.371 ( -7.257 0.000 -3.724) 8.157 14.451 ( 9.407 0.000 -2.999) 9.874 14.541 ( -2.349 0.000 -8.336) 8.661 14.610 ( 2.893 0.000 4.603) 5.437 14.790 ( -6.581 0.000 2.162) 6.927 14.886 ( -0.477 0.000 1.988) 2.045 14.916 ( 1.834 0.000 2.985) 3.503 14.924 ( -6.996 0.000 -2.468) 7.419 15.072 ( 6.935 0.000 2.052) 7.232 15.144 ( -1.253 0.000 -6.739) 6.855 15.250 ( -2.548 0.000 -3.145) 4.048 15.313 ( 5.391 0.000 4.764) 7.194 15.424 ( -3.359 0.000 3.156) 4.609 15.478 ( 3.866 0.000 5.103) 6.402 15.668 ( 0.298 0.000 2.290) 2.309 15.689 ( 0.349 0.000 -1.450) 1.491 15.833 ( 2.963 0.000 2.303) 3.753 15.866 ( -0.523 0.000 -0.674) 0.853 16.001 ( -14.688 0.000 1.101) 14.729 16.040 ( -1.859 0.000 2.655) 3.241 16.121 ( 2.280 0.000 -5.750) 6.186 16.244 ( -7.425 0.000 -0.164) 7.427 16.247 ( -0.547 0.000 4.902) 4.932 16.328 ( 0.294 0.000 1.728) 1.753 16.551 ( -0.234 0.000 -7.768) 7.772 16.571 ( -1.939 0.000 1.219) 2.290 16.678 ( 0.613 0.000 -4.727) 4.767 17.346 ( 7.957 0.000 2.754) 8.420 17.506 ( 3.633 0.000 1.430) 3.904 17.600 ( -5.257 0.000 -4.572) 6.967 17.653 ( -3.192 0.000 0.896) 3.315 18.418 ( -6.877 0.000 5.193) 8.617 18.461 ( 5.728 0.000 -3.119) 6.522 18.492 ( -5.687 0.000 -5.332) 7.796 18.726 ( 14.772 0.000 -4.912) 15.568 19.091 ( -3.880 0.000 3.620) 5.307 19.297 ( 6.942 0.000 -3.139) 7.619 19.869 ( -6.447 0.000 5.790) 8.665 19.885 ( 0.348 0.000 6.639) 6.648 20.363 ( 1.923 0.000 12.993) 13.135 20.423 ( -7.947 0.000 -7.749) 11.100 20.522 ( 17.727 0.000 -8.741) 19.765 20.845 ( -2.767 0.000 -1.511) 3.152 21.001 ( -0.298 0.000 2.362) 2.381 21.169 ( 2.807 0.000 -5.112) 5.832 21.383 ( 9.522 0.000 1.400) 9.624 21.411 ( 4.669 0.000 0.528) 4.698 21.651 ( -2.518 0.000 0.930) 2.685 21.962 ( 8.545 0.000 1.831) 8.739 22.000 ( -15.097 0.000 4.756) 15.828 22.077 ( -2.645 0.000 -5.057) 5.707 22.442 ( -6.017 0.000 6.822) 9.096 22.887 ( -0.375 0.000 -8.811) 8.819 23.011 ( -5.090 0.000 -4.215) 6.609 23.044 ( 6.788 0.000 -1.401) 6.931 24.073 ( -2.727 0.000 -3.641) 4.549 24.223 ( 4.542 0.000 -6.972) 8.321 24.670 ( 1.496 0.000 0.533) 1.588 24.766 ( 8.144 0.000 -2.249) 8.449 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.131 0.000 18.063) 18.777 1.847 ( 14.135 0.000 18.530) 23.306 2.028 ( 3.443 0.000 3.190) 4.694 2.038 ( 2.056 0.000 1.411) 2.494 2.080 ( 1.978 0.000 -0.811) 2.138 2.134 ( 2.140 0.000 1.960) 2.902 2.229 ( 1.249 0.000 -0.075) 1.252 2.280 ( 1.051 0.000 1.560) 1.881 2.303 ( -0.532 0.000 -2.973) 3.021 2.317 ( 4.017 0.000 1.408) 4.257 2.485 ( -4.233 0.000 -1.810) 4.603 2.579 ( 0.991 0.000 2.341) 2.542 2.683 ( -6.267 0.000 5.115) 8.090 2.813 ( -1.133 0.000 0.945) 1.475 2.961 ( 7.627 0.000 8.682) 11.556 3.001 ( -6.148 0.000 -4.162) 7.424 3.093 ( -5.773 0.000 6.097) 8.397 3.166 ( -0.137 0.000 5.937) 5.938 3.304 ( -4.547 0.000 2.963) 5.427 3.385 ( 6.073 0.000 1.237) 6.198 3.469 ( 2.043 0.000 -1.285) 2.414 3.485 ( -0.563 0.000 -2.951) 3.005 3.552 ( 2.593 0.000 0.539) 2.648 3.635 ( 8.524 0.000 -4.200) 9.503 3.860 ( -5.786 0.000 -0.641) 5.821 3.953 ( 3.674 0.000 1.267) 3.886 4.130 ( 8.267 0.000 4.796) 9.558 4.154 ( 5.729 0.000 18.694) 19.552 4.199 ( -5.428 0.000 2.625) 6.029 4.257 ( 4.338 0.000 -14.941) 15.558 4.306 ( 11.384 0.000 18.757) 21.941 4.368 ( -0.427 0.000 -6.084) 6.099 4.402 ( -5.190 0.000 2.805) 5.899 4.787 ( -9.225 0.000 -7.122) 11.655 4.895 ( -2.287 0.000 7.551) 7.890 4.939 ( -9.784 0.000 1.240) 9.863 5.300 ( -1.292 0.000 -3.113) 3.371 5.322 ( 8.873 0.000 9.615) 13.084 5.443 ( 3.328 0.000 -9.157) 9.743 5.460 ( -3.686 0.000 2.277) 4.333 5.569 ( 5.144 0.000 6.665) 8.419 5.605 ( -10.970 0.000 -3.838) 11.622 5.711 ( 4.861 0.000 -9.604) 10.764 5.719 ( 4.478 0.000 9.361) 10.377 5.950 ( 1.618 0.000 3.108) 3.503 5.980 ( -7.233 0.000 -5.544) 9.113 6.051 ( 3.889 0.000 9.251) 10.035 6.151 ( 1.087 0.000 -0.250) 1.116 6.208 ( -2.902 0.000 5.729) 6.422 6.212 ( -5.377 0.000 -3.643) 6.495 6.387 ( 12.703 0.000 10.299) 16.353 6.471 ( -10.212 0.000 -14.071) 17.386 6.519 ( -9.367 0.000 -12.677) 15.762 6.545 ( -3.653 0.000 -2.498) 4.426 6.580 ( 5.049 0.000 10.509) 11.659 6.836 ( -1.864 0.000 1.696) 2.520 6.930 ( -2.659 0.000 -3.416) 4.329 6.994 ( -7.595 0.000 -4.246) 8.701 7.134 ( -0.746 0.000 -0.528) 0.914 7.138 ( -5.918 0.000 2.889) 6.585 7.211 ( -0.734 0.000 0.154) 0.750 7.238 ( -4.065 0.000 0.462) 4.091 7.326 ( -2.017 0.000 -0.888) 2.204 7.344 ( -5.486 0.000 -0.603) 5.519 7.442 ( -1.536 0.000 -0.688) 1.683 7.444 ( -4.689 0.000 -13.347) 14.147 7.521 ( -1.667 0.000 -3.853) 4.198 7.560 ( -0.179 0.000 1.441) 1.452 7.565 ( 3.105 0.000 -3.629) 4.776 7.729 ( -14.560 0.000 1.051) 14.598 7.872 ( 7.133 0.000 -5.309) 8.891 8.011 ( -12.572 0.000 -9.604) 15.821 8.127 ( 11.898 0.000 -3.194) 12.319 8.160 ( -10.726 0.000 -0.658) 10.746 8.206 ( 11.608 0.000 -1.642) 11.723 8.256 ( -14.513 0.000 -2.954) 14.810 8.381 ( 6.080 0.000 -0.166) 6.082 8.515 ( 2.387 0.000 -1.003) 2.589 8.536 ( 10.108 0.000 5.132) 11.336 8.604 ( 4.184 0.000 5.750) 7.111 8.667 ( 0.465 0.000 -1.323) 1.402 8.699 ( 2.869 0.000 0.214) 2.877 8.871 ( 1.998 0.000 0.708) 2.120 8.902 ( 2.993 0.000 2.522) 3.914 8.940 ( -5.301 0.000 2.301) 5.779 9.102 ( 11.439 0.000 -0.526) 11.451 9.183 ( 0.854 0.000 -8.011) 8.056 9.216 ( 3.925 0.000 -3.612) 5.334 9.267 ( 5.697 0.000 -3.652) 6.767 9.301 ( 3.658 0.000 -10.452) 11.074 9.552 ( -3.698 0.000 3.522) 5.107 9.745 ( -10.140 0.000 4.753) 11.199 9.748 ( 1.008 0.000 -6.612) 6.688 9.826 ( -9.672 0.000 0.734) 9.700 9.856 ( -4.196 0.000 -3.804) 5.664 10.077 ( 6.541 0.000 -3.981) 7.657 10.087 ( -8.140 0.000 8.233) 11.577 10.355 ( 5.289 0.000 2.242) 5.745 10.407 ( -6.020 0.000 7.897) 9.930 10.571 ( 0.339 0.000 14.945) 14.949 10.589 ( 3.307 0.000 1.730) 3.732 10.661 ( 10.374 0.000 -1.228) 10.446 10.664 ( -0.997 0.000 5.097) 5.193 10.791 ( -0.485 0.000 -2.084) 2.139 10.792 ( 12.895 0.000 1.980) 13.046 10.850 ( -5.588 0.000 -0.885) 5.658 10.902 ( -8.127 0.000 -5.233) 9.666 11.008 ( 6.425 0.000 -6.018) 8.804 11.108 ( 1.723 0.000 9.830) 9.980 11.236 ( -6.673 0.000 2.474) 7.117 11.297 ( 2.978 0.000 12.205) 12.563 11.389 ( -1.009 0.000 -3.363) 3.511 11.505 ( 3.828 0.000 9.091) 9.864 11.571 ( -5.574 0.000 -2.586) 6.145 11.651 ( 6.235 0.000 2.291) 6.643 11.661 ( -2.168 0.000 -7.528) 7.834 11.861 ( -4.825 0.000 -0.454) 4.846 11.933 ( -4.574 0.000 9.281) 10.347 11.953 ( 2.436 0.000 -0.057) 2.437 12.036 ( 0.267 0.000 5.993) 5.999 12.081 ( -0.021 0.000 -1.313) 1.313 12.125 ( 1.837 0.000 -2.399) 3.021 12.276 ( 0.689 0.000 -0.785) 1.045 12.333 ( -1.303 0.000 4.242) 4.438 12.422 ( 3.807 0.000 2.962) 4.824 12.460 ( -2.947 0.000 -2.495) 3.862 12.579 ( -11.595 0.000 14.711) 18.731 12.633 ( 7.008 0.000 -0.591) 7.033 12.694 ( 4.112 0.000 -8.116) 9.099 12.787 ( 1.306 0.000 10.553) 10.633 12.939 ( 8.124 0.000 10.133) 12.988 13.030 ( -10.931 0.000 -2.412) 11.194 13.124 ( 4.637 0.000 -1.420) 4.849 13.202 ( 3.549 0.000 1.674) 3.924 13.321 ( -1.434 0.000 -8.741) 8.858 13.412 ( -10.024 0.000 -14.465) 17.598 13.493 ( -11.292 0.000 -4.135) 12.025 13.561 ( 1.698 0.000 -7.499) 7.689 13.677 ( -7.265 0.000 -7.209) 10.234 13.705 ( -6.753 0.000 -7.525) 10.111 13.930 ( -0.007 0.000 -1.371) 1.371 14.013 ( 6.435 0.000 -10.862) 12.625 14.020 ( 10.406 0.000 4.253) 11.241 14.137 ( -1.731 0.000 -3.704) 4.088 14.192 ( 6.363 0.000 11.399) 13.055 14.272 ( 2.952 0.000 -5.251) 6.023 14.434 ( -2.773 0.000 -5.972) 6.584 14.505 ( 4.479 0.000 -3.990) 5.999 14.721 ( -8.042 0.000 3.652) 8.833 14.755 ( 5.400 0.000 5.538) 7.735 14.769 ( -7.072 0.000 -4.555) 8.412 14.938 ( 3.759 0.000 2.740) 4.652 15.007 ( 4.405 0.000 2.648) 5.140 15.068 ( 2.049 0.000 -4.529) 4.971 15.144 ( -4.352 0.000 -4.628) 6.353 15.191 ( 5.029 0.000 2.991) 5.851 15.360 ( -5.293 0.000 -1.521) 5.507 15.466 ( 4.781 0.000 6.477) 8.051 15.603 ( 0.374 0.000 3.899) 3.917 15.666 ( -0.737 0.000 -1.968) 2.102 15.683 ( 2.147 0.000 3.688) 4.267 15.788 ( -10.109 0.000 -2.871) 10.509 15.861 ( -1.377 0.000 0.234) 1.397 15.951 ( 2.346 0.000 3.690) 4.372 16.037 ( 2.284 0.000 1.123) 2.545 16.090 ( -0.361 0.000 -1.123) 1.179 16.184 ( -3.952 0.000 3.581) 5.333 16.313 ( 1.998 0.000 4.176) 4.630 16.352 ( 0.221 0.000 1.259) 1.278 16.453 ( -1.038 0.000 -6.131) 6.218 16.562 ( -1.207 0.000 0.370) 1.262 16.614 ( -2.081 0.000 -3.821) 4.351 17.449 ( -4.735 0.000 -5.927) 7.586 17.483 ( 5.483 0.000 2.487) 6.021 17.603 ( -0.993 0.000 -4.294) 4.407 17.683 ( 11.854 0.000 6.442) 13.491 18.352 ( -4.016 0.000 -3.857) 5.568 18.374 ( -7.757 0.000 4.419) 8.927 18.508 ( 4.058 0.000 -1.234) 4.241 18.832 ( 11.242 0.000 -8.598) 14.153 19.083 ( -2.348 0.000 2.334) 3.311 19.367 ( 7.716 0.000 -4.072) 8.724 19.826 ( -9.557 0.000 6.760) 11.706 19.952 ( -2.756 0.000 6.148) 6.738 20.214 ( -7.288 0.000 -6.080) 9.492 20.529 ( -1.807 0.000 11.157) 11.303 20.649 ( 15.815 0.000 -7.862) 17.661 20.752 ( -3.940 0.000 -4.736) 6.161 21.036 ( 0.891 0.000 1.976) 2.168 21.110 ( 0.505 0.000 -4.853) 4.880 21.425 ( -3.006 0.000 -2.717) 4.052 21.483 ( -3.422 0.000 1.003) 3.566 21.619 ( -1.579 0.000 0.583) 1.683 21.849 ( -6.441 0.000 2.552) 6.929 21.961 ( 5.486 0.000 -6.930) 8.839 22.187 ( 8.342 0.000 5.612) 10.054 22.528 ( 0.197 0.000 9.334) 9.336 22.728 ( -3.099 0.000 -11.188) 11.609 22.895 ( -6.320 0.000 0.995) 6.398 23.125 ( 6.897 0.000 -2.801) 7.445 24.037 ( 0.961 0.000 -0.401) 1.041 24.232 ( 7.829 0.000 -6.690) 10.298 24.652 ( -3.553 0.000 -0.853) 3.654 24.793 ( 1.771 0.000 -4.957) 5.264 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 5.966 0.000 9.007) 10.804 2.055 ( 5.028 0.000 -4.214) 6.561 2.092 ( 9.287 0.000 -7.420) 11.887 2.102 ( 0.162 0.000 1.159) 1.170 2.182 ( 8.125 0.000 2.826) 8.603 2.202 ( 1.046 0.000 -1.845) 2.121 2.254 ( 1.080 0.000 2.539) 2.759 2.312 ( 2.691 0.000 -1.454) 3.059 2.378 ( 7.228 0.000 7.046) 10.094 2.391 ( 2.423 0.000 5.395) 5.914 2.417 ( -0.011 0.000 -0.582) 0.582 2.555 ( -1.695 0.000 0.201) 1.707 2.746 ( -1.714 0.000 -2.041) 2.665 2.782 ( 4.839 0.000 6.070) 7.763 3.044 ( 2.139 0.000 7.504) 7.803 3.051 ( -3.545 0.000 -0.147) 3.548 3.157 ( 0.350 0.000 6.167) 6.177 3.217 ( -4.219 0.000 2.709) 5.014 3.312 ( -1.992 0.000 10.853) 11.034 3.437 ( -0.671 0.000 -0.464) 0.816 3.487 ( 1.742 0.000 -1.696) 2.431 3.550 ( 9.479 0.000 5.287) 10.854 3.687 ( 10.784 0.000 3.808) 11.436 3.766 ( 11.244 0.000 -1.138) 11.301 3.866 ( 4.572 0.000 6.962) 8.329 4.002 ( 1.760 0.000 -1.979) 2.649 4.074 ( -4.662 0.000 -6.695) 8.159 4.138 ( 5.252 0.000 -7.986) 9.558 4.180 ( 2.476 0.000 -3.690) 4.444 4.220 ( -10.371 0.000 -6.719) 12.357 4.355 ( -1.065 0.000 2.377) 2.605 4.376 ( 8.764 0.000 9.811) 13.155 4.550 ( -8.163 0.000 -9.845) 12.790 4.828 ( -12.848 0.000 8.658) 15.493 4.932 ( -1.946 0.000 10.020) 10.207 5.031 ( 17.628 0.000 21.503) 27.805 5.169 ( -4.366 0.000 -9.370) 10.338 5.305 ( -6.847 0.000 -8.689) 11.062 5.376 ( 5.793 0.000 -5.426) 7.937 5.482 ( -1.047 0.000 -3.936) 4.073 5.555 ( 3.608 0.000 7.832) 8.623 5.611 ( -5.722 0.000 -9.673) 11.239 5.674 ( -1.464 0.000 4.677) 4.901 5.804 ( -8.601 0.000 -0.585) 8.621 5.806 ( -0.799 0.000 1.898) 2.060 5.966 ( -8.148 0.000 -8.458) 11.744 5.986 ( 0.080 0.000 -0.563) 0.569 6.107 ( -3.018 0.000 -6.801) 7.441 6.140 ( -5.570 0.000 8.137) 9.861 6.235 ( 7.910 0.000 -11.207) 13.717 6.299 ( 2.795 0.000 13.058) 13.354 6.366 ( -4.525 0.000 -1.350) 4.722 6.479 ( 0.010 0.000 0.816) 0.816 6.636 ( 0.596 0.000 9.833) 9.851 6.763 ( -5.708 0.000 -5.384) 7.847 6.781 ( 4.026 0.000 -6.056) 7.272 6.823 ( -5.994 0.000 -2.556) 6.516 6.994 ( 0.295 0.000 14.258) 14.261 7.011 ( -6.275 0.000 -4.870) 7.944 7.056 ( -5.820 0.000 -0.915) 5.891 7.158 ( -10.641 0.000 1.661) 10.770 7.212 ( 1.020 0.000 1.003) 1.431 7.219 ( -5.158 0.000 -2.122) 5.578 7.266 ( -1.533 0.000 0.353) 1.573 7.305 ( -3.913 0.000 -2.991) 4.925 7.409 ( -1.175 0.000 1.398) 1.826 7.477 ( 0.743 0.000 -2.870) 2.964 7.619 ( 2.986 0.000 -0.241) 2.995 7.665 ( 3.064 0.000 0.242) 3.073 7.682 ( 2.723 0.000 6.468) 7.018 7.776 ( -9.659 0.000 0.125) 9.659 7.892 ( 7.357 0.000 -2.069) 7.642 8.032 ( -9.895 0.000 -1.625) 10.028 8.079 ( -6.435 0.000 5.048) 8.179 8.196 ( 2.492 0.000 -5.286) 5.844 8.295 ( 2.429 0.000 2.075) 3.194 8.485 ( -10.932 0.000 -6.238) 12.587 8.490 ( -0.998 0.000 2.302) 2.509 8.564 ( -2.209 0.000 -2.488) 3.327 8.600 ( 6.402 0.000 0.327) 6.410 8.687 ( -0.099 0.000 -3.943) 3.944 8.745 ( 3.146 0.000 -3.548) 4.742 8.749 ( -10.387 0.000 -10.574) 14.822 8.894 ( 1.206 0.000 8.032) 8.122 9.040 ( -0.337 0.000 1.804) 1.835 9.132 ( 7.445 0.000 -9.092) 11.751 9.138 ( 0.512 0.000 -5.486) 5.510 9.215 ( 8.535 0.000 -4.007) 9.428 9.321 ( 7.885 0.000 4.540) 9.099 9.395 ( 15.202 0.000 -3.372) 15.571 9.452 ( -4.505 0.000 2.272) 5.045 9.668 ( -1.005 0.000 0.489) 1.117 9.699 ( -6.560 0.000 2.142) 6.901 9.794 ( -1.901 0.000 -1.937) 2.714 9.799 ( -6.467 0.000 7.740) 10.086 10.051 ( -7.091 0.000 7.003) 9.966 10.112 ( 5.562 0.000 -5.737) 7.991 10.375 ( -3.688 0.000 2.271) 4.331 10.417 ( 0.901 0.000 -3.687) 3.796 10.446 ( -13.332 0.000 -6.135) 14.676 10.613 ( -2.305 0.000 -4.307) 4.885 10.633 ( -3.388 0.000 -7.557) 8.282 10.739 ( -0.779 0.000 8.333) 8.370 10.801 ( 12.342 0.000 -7.873) 14.639 10.899 ( -0.232 0.000 8.760) 8.763 10.929 ( 4.085 0.000 13.033) 13.658 11.015 ( 8.682 0.000 4.566) 9.810 11.077 ( 9.097 0.000 -7.953) 12.083 11.157 ( -0.862 0.000 -4.514) 4.596 11.245 ( 3.485 0.000 7.576) 8.339 11.324 ( -1.128 0.000 -7.384) 7.469 11.435 ( -3.816 0.000 -4.813) 6.142 11.467 ( 0.549 0.000 7.034) 7.055 11.544 ( -4.744 0.000 -2.622) 5.421 11.597 ( -1.827 0.000 1.036) 2.100 11.726 ( 4.609 0.000 -1.503) 4.847 11.820 ( 1.284 0.000 -1.159) 1.730 11.871 ( -6.643 0.000 -3.026) 7.300 11.951 ( -5.234 0.000 3.207) 6.138 12.040 ( 1.108 0.000 -5.409) 5.522 12.054 ( -0.847 0.000 3.258) 3.366 12.214 ( -0.378 0.000 -1.107) 1.170 12.308 ( -1.460 0.000 -2.191) 2.633 12.308 ( 8.384 0.000 -0.263) 8.388 12.401 ( 0.784 0.000 -0.604) 0.990 12.505 ( -2.548 0.000 1.746) 3.089 12.556 ( -10.085 0.000 9.092) 13.578 12.723 ( 3.816 0.000 -1.089) 3.968 12.756 ( -13.710 0.000 -5.016) 14.598 12.815 ( 10.544 0.000 6.709) 12.497 12.883 ( -2.710 0.000 6.384) 6.935 13.103 ( -4.181 0.000 -17.637) 18.126 13.161 ( 0.273 0.000 3.507) 3.517 13.175 ( 1.155 0.000 3.206) 3.408 13.262 ( 3.864 0.000 -3.214) 5.026 13.270 ( -3.183 0.000 2.970) 4.353 13.390 ( 3.183 0.000 5.704) 6.532 13.523 ( -3.099 0.000 -1.785) 3.577 13.531 ( -4.978 0.000 4.167) 6.492 13.593 ( 1.431 0.000 1.599) 2.146 13.912 ( 1.971 0.000 -3.568) 4.077 14.004 ( 3.827 0.000 -5.592) 6.777 14.067 ( 1.060 0.000 -3.431) 3.590 14.209 ( 7.441 0.000 3.008) 8.026 14.257 ( -4.313 0.000 -5.560) 7.037 14.307 ( 2.490 0.000 -2.871) 3.800 14.467 ( 8.303 0.000 11.702) 14.348 14.498 ( 1.896 0.000 -3.845) 4.287 14.585 ( -8.684 0.000 1.408) 8.797 14.718 ( -0.099 0.000 -0.142) 0.173 14.848 ( 0.045 0.000 1.434) 1.435 15.021 ( -3.736 0.000 -4.949) 6.201 15.046 ( 3.042 0.000 3.846) 4.904 15.091 ( 4.349 0.000 1.521) 4.608 15.093 ( 2.303 0.000 2.379) 3.311 15.280 ( -0.832 0.000 -2.822) 2.942 15.315 ( 5.650 0.000 3.875) 6.851 15.514 ( -5.691 0.000 -0.511) 5.714 15.563 ( -5.296 0.000 -6.428) 8.328 15.616 ( 2.664 0.000 1.345) 2.984 15.673 ( -2.978 0.000 -0.299) 2.993 15.831 ( 1.896 0.000 3.284) 3.792 15.852 ( 0.146 0.000 -0.219) 0.264 15.926 ( -0.315 0.000 2.679) 2.697 16.083 ( -0.736 0.000 0.730) 1.037 16.188 ( 5.571 0.000 5.299) 7.689 16.189 ( -3.905 0.000 5.509) 6.753 16.326 ( -4.307 0.000 -4.529) 6.250 16.375 ( 0.954 0.000 0.890) 1.305 16.413 ( 3.756 0.000 -1.234) 3.953 16.538 ( -2.192 0.000 0.510) 2.250 16.562 ( 0.643 0.000 1.049) 1.231 17.346 ( 0.450 0.000 -3.990) 4.015 17.531 ( -0.554 0.000 -4.378) 4.413 17.594 ( 5.340 0.000 2.342) 5.831 17.942 ( 10.963 0.000 5.942) 12.469 18.268 ( -3.042 0.000 -0.863) 3.162 18.332 ( -4.234 0.000 3.438) 5.454 18.541 ( 0.767 0.000 0.659) 1.011 18.845 ( 6.625 0.000 -10.250) 12.205 19.087 ( 0.128 0.000 1.265) 1.272 19.404 ( 5.119 0.000 -4.867) 7.063 19.772 ( -8.596 0.000 6.653) 10.870 19.956 ( -4.598 0.000 2.708) 5.336 20.088 ( -3.148 0.000 -0.433) 3.178 20.590 ( -3.735 0.000 6.349) 7.366 20.619 ( -3.809 0.000 -6.771) 7.769 20.781 ( 10.804 0.000 -3.695) 11.418 21.075 ( 0.702 0.000 2.142) 2.254 21.094 ( 2.647 0.000 -0.912) 2.800 21.284 ( -5.109 0.000 -6.330) 8.135 21.385 ( -6.174 0.000 -1.673) 6.396 21.552 ( -6.694 0.000 0.107) 6.695 21.900 ( 2.399 0.000 5.737) 6.219 22.004 ( 8.741 0.000 -5.974) 10.587 22.335 ( 1.205 0.000 3.939) 4.119 22.584 ( -1.556 0.000 -3.253) 3.606 22.619 ( -2.342 0.000 6.707) 7.104 22.857 ( -1.902 0.000 1.620) 2.498 23.186 ( 5.995 0.000 -2.105) 6.354 24.081 ( 3.122 0.000 2.170) 3.802 24.286 ( 9.366 0.000 -4.811) 10.529 24.559 ( -6.179 0.000 -1.419) 6.340 24.717 ( -2.792 0.000 -4.957) 5.690 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.436 0.000 -2.019) 2.066 2.057 ( -0.810 0.000 -6.360) 6.411 2.077 ( 5.477 0.000 -5.247) 7.585 2.140 ( 8.069 0.000 -6.794) 10.548 2.163 ( 0.637 0.000 -8.346) 8.370 2.190 ( 3.029 0.000 -3.265) 4.453 2.275 ( 2.475 0.000 0.192) 2.482 2.387 ( -2.570 0.000 -2.018) 3.267 2.403 ( 2.225 0.000 3.273) 3.958 2.487 ( 1.349 0.000 3.850) 4.079 2.561 ( 0.935 0.000 1.551) 1.811 2.608 ( 3.636 0.000 8.903) 9.617 2.739 ( 0.767 0.000 -0.818) 1.122 2.884 ( -3.304 0.000 5.699) 6.587 3.001 ( 2.773 0.000 -3.603) 4.547 3.056 ( -10.076 0.000 -0.146) 10.077 3.138 ( -0.401 0.000 -2.735) 2.764 3.187 ( -4.717 0.000 6.394) 7.946 3.478 ( 2.266 0.000 10.044) 10.297 3.489 ( 1.512 0.000 1.829) 2.373 3.543 ( 6.132 0.000 3.648) 7.135 3.723 ( -1.811 0.000 1.185) 2.164 3.789 ( -1.470 0.000 -8.421) 8.549 3.828 ( 6.167 0.000 0.962) 6.242 3.906 ( -14.964 0.000 -7.748) 16.851 3.965 ( 9.656 0.000 -0.730) 9.683 4.000 ( 6.777 0.000 2.771) 7.321 4.168 ( 3.739 0.000 -1.008) 3.873 4.215 ( -11.502 0.000 -3.981) 12.171 4.246 ( 10.482 0.000 -5.149) 11.678 4.247 ( 10.597 0.000 3.702) 11.225 4.466 ( 3.812 0.000 9.393) 10.137 4.593 ( 6.571 0.000 6.671) 9.364 4.861 ( -9.039 0.000 21.496) 23.319 4.944 ( -4.499 0.000 2.576) 5.184 5.041 ( 0.236 0.000 -0.002) 0.236 5.132 ( 2.810 0.000 -13.525) 13.814 5.302 ( 2.633 0.000 4.302) 5.044 5.402 ( -2.963 0.000 1.949) 3.547 5.452 ( 4.091 0.000 -3.783) 5.572 5.522 ( -0.172 0.000 6.353) 6.355 5.641 ( 2.265 0.000 -0.712) 2.374 5.672 ( -11.512 0.000 2.321) 11.743 5.676 ( 2.326 0.000 4.538) 5.100 5.881 ( 9.125 0.000 -13.223) 16.066 5.915 ( -1.696 0.000 -6.544) 6.760 5.930 ( 1.153 0.000 10.401) 10.465 6.043 ( 5.145 0.000 -5.617) 7.617 6.086 ( -13.269 0.000 6.774) 14.898 6.222 ( 10.158 0.000 -8.210) 13.061 6.349 ( -0.305 0.000 1.432) 1.464 6.403 ( -5.003 0.000 -5.515) 7.446 6.494 ( 0.466 0.000 4.277) 4.303 6.620 ( -1.278 0.000 -5.899) 6.036 6.664 ( -7.186 0.000 4.532) 8.496 6.685 ( -8.134 0.000 -1.029) 8.199 6.905 ( -4.559 0.000 -3.017) 5.467 6.909 ( 4.533 0.000 -1.630) 4.817 6.995 ( -3.241 0.000 3.145) 4.516 7.002 ( -5.434 0.000 -3.487) 6.457 7.036 ( -0.599 0.000 3.179) 3.235 7.086 ( -9.964 0.000 1.548) 10.084 7.185 ( -8.604 0.000 -2.240) 8.891 7.263 ( 1.604 0.000 -0.716) 1.757 7.295 ( 5.971 0.000 8.494) 10.382 7.399 ( -9.377 0.000 -6.345) 11.321 7.483 ( -3.115 0.000 3.901) 4.992 7.591 ( -3.621 0.000 -7.091) 7.962 7.611 ( 1.601 0.000 8.190) 8.345 7.688 ( 0.442 0.000 4.033) 4.058 7.836 ( -4.120 0.000 9.634) 10.478 7.986 ( 2.388 0.000 5.509) 6.005 8.024 ( 3.058 0.000 -3.522) 4.664 8.058 ( -4.126 0.000 0.911) 4.226 8.146 ( 0.852 0.000 -0.449) 0.963 8.221 ( -10.555 0.000 -4.879) 11.629 8.312 ( -3.250 0.000 2.675) 4.209 8.467 ( 0.390 0.000 -2.260) 2.293 8.480 ( -1.703 0.000 -11.868) 11.990 8.514 ( 2.795 0.000 2.907) 4.033 8.641 ( -0.241 0.000 -2.288) 2.301 8.706 ( 2.276 0.000 2.643) 3.488 8.783 ( 5.064 0.000 -0.434) 5.082 9.025 ( -4.469 0.000 5.282) 6.919 9.084 ( 4.690 0.000 -9.200) 10.326 9.092 ( 4.743 0.000 11.360) 12.310 9.138 ( 4.352 0.000 -2.432) 4.986 9.279 ( 5.198 0.000 -1.634) 5.449 9.422 ( -6.519 0.000 1.723) 6.743 9.541 ( 4.575 0.000 -2.364) 5.150 9.592 ( 0.268 0.000 5.160) 5.167 9.622 ( -2.564 0.000 -10.168) 10.486 9.675 ( 11.553 0.000 5.425) 12.763 9.721 ( 3.977 0.000 0.485) 4.006 9.805 ( -5.489 0.000 5.228) 7.581 10.073 ( -3.688 0.000 8.873) 9.609 10.152 ( 4.329 0.000 -5.975) 7.378 10.165 ( -6.428 0.000 -1.841) 6.686 10.302 ( -4.834 0.000 -5.494) 7.317 10.436 ( 1.824 0.000 1.025) 2.092 10.546 ( 1.434 0.000 -5.024) 5.225 10.547 ( 5.754 0.000 -5.954) 8.280 10.776 ( -0.685 0.000 -10.316) 10.339 10.794 ( -1.931 0.000 2.057) 2.821 10.983 ( -4.293 0.000 -3.898) 5.799 11.031 ( 5.342 0.000 -7.289) 9.037 11.088 ( 3.556 0.000 -7.311) 8.129 11.103 ( -3.467 0.000 3.944) 5.252 11.122 ( 3.662 0.000 5.932) 6.971 11.259 ( 7.699 0.000 -6.736) 10.230 11.368 ( -1.933 0.000 0.656) 2.041 11.389 ( 4.779 0.000 -5.897) 7.590 11.469 ( -2.041 0.000 3.067) 3.684 11.503 ( -4.640 0.000 0.643) 4.684 11.522 ( 1.051 0.000 3.251) 3.417 11.732 ( -3.501 0.000 -4.426) 5.643 11.750 ( 2.669 0.000 -4.771) 5.466 11.838 ( -0.477 0.000 -0.632) 0.792 11.865 ( -2.565 0.000 -7.970) 8.372 11.942 ( -4.322 0.000 -5.429) 6.940 12.100 ( -1.998 0.000 4.674) 5.084 12.194 ( 0.709 0.000 -1.028) 1.249 12.272 ( -10.607 0.000 -8.522) 13.606 12.323 ( -2.335 0.000 1.244) 2.646 12.328 ( 4.494 0.000 -6.227) 7.679 12.472 ( 2.024 0.000 -0.331) 2.051 12.526 ( -8.087 0.000 6.294) 10.248 12.620 ( -5.967 0.000 3.656) 6.998 12.694 ( -3.555 0.000 -8.627) 9.331 12.872 ( 4.312 0.000 -11.654) 12.426 12.966 ( -0.276 0.000 13.603) 13.606 12.967 ( -3.895 0.000 3.095) 4.975 13.103 ( 3.254 0.000 -2.406) 4.047 13.190 ( -3.981 0.000 -1.650) 4.309 13.296 ( -0.998 0.000 -0.975) 1.395 13.351 ( 1.494 0.000 9.243) 9.363 13.485 ( 1.160 0.000 5.921) 6.034 13.497 ( 3.654 0.000 -1.660) 4.013 13.600 ( 0.925 0.000 8.074) 8.127 13.759 ( 1.510 0.000 12.620) 12.710 13.902 ( 3.325 0.000 -4.203) 5.359 13.975 ( 1.452 0.000 -1.803) 2.315 14.063 ( 0.231 0.000 0.527) 0.575 14.179 ( 1.444 0.000 0.368) 1.491 14.285 ( 1.080 0.000 -2.450) 2.678 14.400 ( 8.318 0.000 2.418) 8.662 14.463 ( -0.226 0.000 -0.961) 0.987 14.553 ( -1.309 0.000 4.656) 4.837 14.709 ( 6.121 0.000 7.263) 9.498 14.734 ( 0.195 0.000 2.978) 2.984 14.791 ( -5.404 0.000 -2.243) 5.852 14.917 ( -3.384 0.000 -1.574) 3.732 15.061 ( -3.706 0.000 -0.291) 3.717 15.174 ( 0.050 0.000 6.062) 6.062 15.180 ( 2.305 0.000 1.938) 3.011 15.274 ( 5.957 0.000 -4.415) 7.415 15.390 ( 0.752 0.000 0.037) 0.753 15.423 ( -2.241 0.000 -6.473) 6.850 15.445 ( 1.499 0.000 -4.462) 4.707 15.607 ( -3.658 0.000 -1.686) 4.028 15.621 ( -3.336 0.000 -1.080) 3.506 15.760 ( -4.025 0.000 -3.941) 5.633 15.866 ( 1.674 0.000 -0.037) 1.674 16.042 ( -0.960 0.000 -0.508) 1.086 16.082 ( -0.760 0.000 1.103) 1.340 16.181 ( -1.360 0.000 -0.065) 1.361 16.191 ( -4.323 0.000 4.378) 6.153 16.274 ( 2.107 0.000 4.327) 4.813 16.373 ( -1.831 0.000 -0.940) 2.058 16.504 ( 4.997 0.000 2.022) 5.390 16.553 ( 0.220 0.000 5.262) 5.266 16.618 ( 1.990 0.000 0.421) 2.034 17.388 ( 5.102 0.000 3.429) 6.147 17.502 ( 1.247 0.000 0.071) 1.249 17.676 ( 2.980 0.000 -0.045) 2.980 18.101 ( 4.059 0.000 -0.158) 4.062 18.244 ( -1.262 0.000 2.056) 2.413 18.340 ( -0.536 0.000 3.265) 3.309 18.557 ( -1.161 0.000 3.153) 3.360 18.783 ( 3.486 0.000 -10.487) 11.052 19.128 ( 2.505 0.000 2.458) 3.510 19.441 ( 5.728 0.000 0.190) 5.731 19.751 ( -4.974 0.000 6.229) 7.971 19.887 ( -4.555 0.000 -0.952) 4.654 20.093 ( -1.029 0.000 2.250) 2.474 20.512 ( 0.895 0.000 -4.364) 4.454 20.591 ( -7.162 0.000 6.353) 9.574 20.874 ( 8.024 0.000 -2.839) 8.511 21.057 ( -2.012 0.000 -3.602) 4.125 21.157 ( 3.656 0.000 2.790) 4.599 21.243 ( 2.525 0.000 4.689) 5.325 21.293 ( -3.445 0.000 -1.396) 3.717 21.467 ( -2.054 0.000 -2.678) 3.375 21.990 ( -2.416 0.000 7.699) 8.069 22.026 ( 4.825 0.000 -6.837) 8.368 22.296 ( -5.353 0.000 -2.335) 5.840 22.620 ( -5.715 0.000 3.330) 6.615 22.626 ( 6.345 0.000 0.415) 6.358 22.841 ( -4.371 0.000 3.026) 5.316 23.253 ( 5.856 0.000 -1.484) 6.041 24.159 ( 1.437 0.000 2.810) 3.156 24.385 ( 9.614 0.000 -2.744) 9.998 24.475 ( -3.351 0.000 1.268) 3.583 24.609 ( -3.040 0.000 -4.071) 5.081 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -0.519 0.000 -14.151) 14.160 1.936 ( -7.590 0.000 -7.969) 11.005 2.086 ( 6.127 0.000 -7.054) 9.343 2.106 ( -1.523 0.000 -0.279) 1.548 2.143 ( 2.131 0.000 -4.051) 4.577 2.164 ( -1.597 0.000 -6.006) 6.215 2.287 ( -1.922 0.000 0.773) 2.071 2.389 ( 8.880 0.000 -1.177) 8.958 2.403 ( -1.599 0.000 -2.100) 2.640 2.509 ( 0.321 0.000 -1.695) 1.725 2.616 ( -1.413 0.000 7.067) 7.207 2.675 ( -5.610 0.000 5.058) 7.554 2.736 ( 1.588 0.000 -0.594) 1.695 2.854 ( -8.731 0.000 5.422) 10.277 2.890 ( -3.512 0.000 -6.078) 7.019 2.992 ( 2.576 0.000 -6.332) 6.836 3.158 ( 4.089 0.000 -0.171) 4.092 3.218 ( -5.936 0.000 9.615) 11.300 3.377 ( -9.847 0.000 -1.455) 9.954 3.430 ( -14.003 0.000 -5.119) 14.910 3.546 ( -8.226 0.000 -9.295) 12.412 3.652 ( 1.713 0.000 -0.030) 1.713 3.724 ( -1.901 0.000 0.413) 1.946 3.758 ( 1.332 0.000 -1.560) 2.051 3.932 ( -1.084 0.000 0.689) 1.284 4.001 ( 3.120 0.000 -7.472) 8.097 4.064 ( 1.377 0.000 -1.973) 2.406 4.205 ( 9.876 0.000 3.263) 10.401 4.220 ( 1.990 0.000 -4.567) 4.981 4.243 ( 6.034 0.000 2.014) 6.361 4.418 ( 8.938 0.000 -0.102) 8.938 4.753 ( 1.793 0.000 5.597) 5.877 4.851 ( 8.539 0.000 28.510) 29.761 4.887 ( -4.467 0.000 -0.424) 4.487 4.980 ( 0.724 0.000 8.840) 8.870 5.085 ( 11.478 0.000 -6.457) 13.170 5.224 ( -1.124 0.000 21.207) 21.236 5.306 ( -8.904 0.000 -3.315) 9.501 5.462 ( 2.051 0.000 -4.938) 5.347 5.468 ( -3.386 0.000 1.521) 3.712 5.600 ( -7.644 0.000 1.800) 7.854 5.636 ( 3.251 0.000 11.259) 11.719 5.684 ( 1.971 0.000 15.210) 15.337 5.745 ( -0.159 0.000 -3.715) 3.718 5.789 ( -3.351 0.000 -2.887) 4.422 5.826 ( 11.125 0.000 -16.145) 19.607 5.949 ( -12.719 0.000 9.951) 16.149 6.011 ( -1.646 0.000 -1.373) 2.144 6.066 ( 5.071 0.000 -4.932) 7.074 6.231 ( -3.901 0.000 -4.293) 5.801 6.366 ( -18.226 0.000 -2.368) 18.379 6.382 ( 10.219 0.000 -5.269) 11.498 6.390 ( 12.667 0.000 3.405) 13.117 6.538 ( -4.526 0.000 -7.380) 8.657 6.566 ( -2.724 0.000 2.189) 3.494 6.635 ( 1.566 0.000 8.249) 8.397 6.830 ( 1.793 0.000 -3.222) 3.687 6.858 ( 3.736 0.000 -4.569) 5.902 6.934 ( -1.274 0.000 2.848) 3.120 6.976 ( -1.274 0.000 -0.695) 1.451 7.028 ( -3.038 0.000 -2.910) 4.207 7.062 ( -3.555 0.000 13.067) 13.542 7.099 ( -7.947 0.000 1.393) 8.069 7.250 ( -0.013 0.000 5.295) 5.295 7.291 ( -3.729 0.000 4.233) 5.641 7.409 ( -5.274 0.000 -1.502) 5.484 7.554 ( 4.372 0.000 2.352) 4.965 7.574 ( 6.608 0.000 2.170) 6.955 7.699 ( -6.845 0.000 5.816) 8.982 7.746 ( -0.384 0.000 1.245) 1.303 7.837 ( -2.054 0.000 3.142) 3.754 7.987 ( -4.133 0.000 -2.465) 4.812 8.002 ( 6.388 0.000 -3.353) 7.215 8.019 ( -3.945 0.000 6.457) 7.567 8.105 ( -3.218 0.000 -6.329) 7.100 8.266 ( 7.843 0.000 4.452) 9.019 8.271 ( -1.219 0.000 -2.808) 3.061 8.391 ( 7.575 0.000 -6.071) 9.707 8.483 ( 1.273 0.000 0.547) 1.386 8.645 ( 1.429 0.000 -0.587) 1.545 8.700 ( 8.466 0.000 12.594) 15.175 8.748 ( 1.362 0.000 -2.098) 2.501 8.819 ( 0.421 0.000 -2.335) 2.372 9.031 ( -2.565 0.000 -0.050) 2.565 9.070 ( 0.151 0.000 -6.550) 6.551 9.088 ( 1.649 0.000 6.239) 6.453 9.232 ( 3.265 0.000 -0.051) 3.265 9.323 ( -7.801 0.000 1.847) 8.017 9.416 ( 4.476 0.000 2.715) 5.235 9.487 ( -2.941 0.000 -2.051) 3.586 9.521 ( 7.964 0.000 -6.917) 10.548 9.564 ( -2.603 0.000 -2.367) 3.518 9.699 ( -7.441 0.000 -5.506) 9.256 9.878 ( 6.601 0.000 -5.625) 8.673 9.904 ( 6.817 0.000 -3.597) 7.708 9.945 ( -0.135 0.000 -5.105) 5.107 10.160 ( 2.234 0.000 4.460) 4.988 10.252 ( 3.964 0.000 1.175) 4.135 10.293 ( 1.760 0.000 13.356) 13.471 10.391 ( -5.203 0.000 -7.301) 8.965 10.513 ( 0.044 0.000 -2.976) 2.976 10.589 ( 4.348 0.000 -9.934) 10.844 10.672 ( 3.240 0.000 3.895) 5.066 10.736 ( -3.714 0.000 -2.740) 4.615 10.805 ( 0.141 0.000 -14.809) 14.810 10.937 ( -4.277 0.000 3.345) 5.430 11.042 ( -11.679 0.000 5.069) 12.731 11.180 ( -8.872 0.000 -7.376) 11.537 11.185 ( 0.888 0.000 -0.910) 1.272 11.188 ( 9.784 0.000 -5.780) 11.364 11.300 ( 9.573 0.000 -6.863) 11.779 11.434 ( 10.420 0.000 -7.504) 12.841 11.485 ( -9.017 0.000 5.417) 10.519 11.500 ( -5.579 0.000 2.847) 6.263 11.539 ( -2.735 0.000 1.646) 3.192 11.670 ( -8.226 0.000 -8.912) 12.128 11.689 ( 4.138 0.000 -10.017) 10.838 11.746 ( 1.569 0.000 -4.766) 5.017 11.771 ( 4.332 0.000 3.728) 5.715 11.855 ( -10.722 0.000 2.861) 11.097 12.014 ( -3.967 0.000 -1.016) 4.095 12.068 ( -4.128 0.000 -3.064) 5.141 12.164 ( 2.859 0.000 -6.671) 7.258 12.310 ( 1.901 0.000 -7.459) 7.698 12.384 ( -3.833 0.000 1.258) 4.034 12.400 ( -2.315 0.000 -9.071) 9.362 12.480 ( 2.211 0.000 1.711) 2.796 12.530 ( -0.490 0.000 -5.855) 5.875 12.624 ( -1.132 0.000 3.767) 3.934 12.881 ( 2.567 0.000 -0.155) 2.572 12.890 ( -6.641 0.000 0.299) 6.648 13.045 ( -5.089 0.000 -6.616) 8.346 13.120 ( 3.188 0.000 -1.555) 3.547 13.198 ( 4.618 0.000 14.291) 15.019 13.287 ( 0.993 0.000 0.563) 1.141 13.489 ( 2.634 0.000 8.835) 9.219 13.556 ( -3.027 0.000 6.714) 7.365 13.596 ( 3.402 0.000 4.018) 5.265 13.644 ( -5.196 0.000 4.829) 7.093 13.818 ( 1.383 0.000 -6.690) 6.831 13.928 ( -0.689 0.000 4.160) 4.217 14.003 ( 5.369 0.000 -2.075) 5.756 14.166 ( 5.794 0.000 5.447) 7.952 14.197 ( -3.328 0.000 -5.516) 6.442 14.216 ( 0.262 0.000 2.386) 2.401 14.463 ( -1.728 0.000 1.868) 2.544 14.569 ( 3.711 0.000 5.841) 6.921 14.628 ( 4.539 0.000 3.497) 5.730 14.670 ( -4.175 0.000 -2.404) 4.818 14.787 ( 2.903 0.000 1.977) 3.512 14.833 ( -0.943 0.000 3.846) 3.960 14.961 ( 2.033 0.000 11.856) 12.029 14.968 ( -2.739 0.000 -3.125) 4.156 15.191 ( -0.372 0.000 -2.797) 2.821 15.236 ( 0.782 0.000 4.271) 4.342 15.316 ( 5.081 0.000 -4.430) 6.741 15.345 ( 2.053 0.000 -4.921) 5.332 15.365 ( -0.589 0.000 -8.248) 8.269 15.388 ( -2.579 0.000 -1.097) 2.803 15.515 ( -3.038 0.000 -3.058) 4.311 15.556 ( -3.519 0.000 -0.756) 3.599 15.659 ( -1.487 0.000 -3.613) 3.907 15.890 ( 1.180 0.000 0.605) 1.326 15.915 ( -5.551 0.000 -1.865) 5.856 16.092 ( 0.406 0.000 0.512) 0.653 16.178 ( -1.923 0.000 1.797) 2.632 16.238 ( -0.987 0.000 3.976) 4.097 16.329 ( -3.653 0.000 1.783) 4.065 16.431 ( 5.369 0.000 5.653) 7.796 16.528 ( -0.015 0.000 -3.109) 3.109 16.610 ( -0.376 0.000 -0.896) 0.972 16.644 ( 0.215 0.000 6.900) 6.903 17.506 ( 2.076 0.000 4.846) 5.272 17.589 ( 4.707 0.000 4.866) 6.770 17.668 ( -1.376 0.000 -2.775) 3.097 18.046 ( -4.595 0.000 -6.656) 8.088 18.278 ( -0.042 0.000 4.682) 4.682 18.395 ( 1.691 0.000 4.325) 4.644 18.583 ( -1.603 0.000 3.086) 3.478 18.716 ( 4.173 0.000 -8.417) 9.395 19.224 ( 4.057 0.000 5.122) 6.534 19.596 ( 7.493 0.000 7.228) 10.411 19.775 ( -2.692 0.000 5.720) 6.322 19.817 ( -2.316 0.000 -3.132) 3.895 20.079 ( -1.866 0.000 2.241) 2.916 20.523 ( -9.737 0.000 2.554) 10.066 20.563 ( 6.437 0.000 2.121) 6.778 20.971 ( 6.410 0.000 1.408) 6.563 21.004 ( -0.331 0.000 -1.363) 1.402 21.213 ( -5.862 0.000 1.723) 6.110 21.271 ( 4.325 0.000 2.283) 4.890 21.398 ( 4.913 0.000 8.898) 10.164 21.434 ( 4.466 0.000 -5.431) 7.032 21.973 ( 1.009 0.000 -9.060) 9.116 22.022 ( -5.670 0.000 7.380) 9.306 22.178 ( -3.218 0.000 -4.471) 5.508 22.549 ( -6.466 0.000 0.360) 6.476 22.657 ( 1.613 0.000 -5.414) 5.649 22.877 ( 0.761 0.000 8.309) 8.344 23.307 ( 3.874 0.000 -1.812) 4.277 24.167 ( -2.049 0.000 0.999) 2.280 24.405 ( -1.243 0.000 -5.158) 5.306 24.505 ( 0.260 0.000 4.992) 4.998 24.628 ( 10.248 0.000 0.101) 10.248 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -19.716 0.000 -10.325) 22.256 1.702 ( -7.990 0.000 -9.357) 12.304 2.046 ( -3.727 0.000 -1.139) 3.897 2.051 ( -2.727 0.000 -3.769) 4.652 2.111 ( -0.169 0.000 -3.370) 3.375 2.116 ( 4.793 0.000 -3.663) 6.033 2.299 ( -1.981 0.000 2.600) 3.269 2.362 ( -1.816 0.000 0.579) 1.906 2.474 ( -0.334 0.000 -3.369) 3.385 2.492 ( 3.733 0.000 0.659) 3.791 2.629 ( -6.963 0.000 3.560) 7.821 2.678 ( -2.907 0.000 6.139) 6.792 2.710 ( 2.272 0.000 -2.999) 3.763 2.775 ( -9.232 0.000 4.481) 10.262 2.858 ( -8.031 0.000 -11.044) 13.655 2.929 ( 11.702 0.000 0.414) 11.710 3.163 ( -4.361 0.000 1.581) 4.638 3.201 ( 3.480 0.000 1.150) 3.665 3.245 ( -9.914 0.000 -6.894) 12.075 3.318 ( -9.249 0.000 4.748) 10.397 3.328 ( -0.169 0.000 2.737) 2.742 3.660 ( -2.138 0.000 -7.375) 7.679 3.668 ( 3.280 0.000 -1.922) 3.801 3.767 ( -3.753 0.000 9.028) 9.777 3.821 ( -5.187 0.000 -4.905) 7.139 3.938 ( 0.781 0.000 -6.308) 6.356 4.046 ( 0.921 0.000 -4.127) 4.229 4.232 ( -0.679 0.000 3.614) 3.677 4.368 ( 4.501 0.000 -0.784) 4.569 4.378 ( 4.724 0.000 2.056) 5.152 4.520 ( -45.596 0.000 -9.703) 46.617 4.526 ( 7.051 0.000 -2.020) 7.335 4.697 ( -6.908 0.000 -5.548) 8.860 5.023 ( -7.928 0.000 2.716) 8.380 5.039 ( 0.566 0.000 6.561) 6.585 5.262 ( 14.234 0.000 3.617) 14.687 5.306 ( -4.533 0.000 12.247) 13.059 5.421 ( 0.028 0.000 -4.151) 4.152 5.465 ( 6.154 0.000 15.878) 17.029 5.490 ( -4.874 0.000 16.948) 17.635 5.511 ( -4.208 0.000 -4.889) 6.450 5.630 ( -2.770 0.000 -4.104) 4.951 5.692 ( 13.711 0.000 -12.546) 18.585 5.822 ( -1.272 0.000 2.737) 3.018 5.889 ( 4.601 0.000 8.828) 9.955 5.935 ( -6.065 0.000 11.192) 12.730 5.981 ( 10.256 0.000 2.718) 10.610 6.001 ( 2.007 0.000 -0.395) 2.046 6.105 ( 2.263 0.000 6.039) 6.449 6.132 ( -2.231 0.000 -3.384) 4.053 6.255 ( -5.194 0.000 4.296) 6.740 6.380 ( -0.550 0.000 -8.260) 8.279 6.405 ( 7.027 0.000 -9.856) 12.104 6.487 ( -12.341 0.000 -3.750) 12.898 6.644 ( 8.079 0.000 9.502) 12.473 6.723 ( -3.833 0.000 -6.050) 7.162 6.884 ( 6.566 0.000 2.920) 7.186 6.904 ( 11.194 0.000 15.505) 19.124 6.961 ( 3.502 0.000 4.103) 5.394 6.997 ( -1.568 0.000 3.948) 4.248 7.075 ( 1.472 0.000 8.127) 8.260 7.153 ( 3.511 0.000 5.197) 6.272 7.191 ( -4.689 0.000 9.828) 10.889 7.277 ( 2.933 0.000 6.564) 7.189 7.351 ( 3.114 0.000 3.942) 5.024 7.451 ( 6.057 0.000 4.992) 7.849 7.552 ( -6.531 0.000 -4.700) 8.046 7.582 ( -3.586 0.000 -0.524) 3.624 7.783 ( 6.484 0.000 5.540) 8.528 7.789 ( 10.450 0.000 5.832) 11.967 7.873 ( -2.574 0.000 -13.183) 13.432 7.896 ( 1.799 0.000 0.690) 1.926 7.939 ( 1.742 0.000 1.893) 2.572 8.005 ( -2.394 0.000 3.810) 4.500 8.084 ( 5.977 0.000 -8.304) 10.231 8.208 ( -0.439 0.000 -6.292) 6.307 8.383 ( 7.332 0.000 5.179) 8.977 8.509 ( 1.252 0.000 1.496) 1.950 8.615 ( 7.957 0.000 5.843) 9.872 8.652 ( 5.603 0.000 1.801) 5.886 8.659 ( -6.725 0.000 -9.659) 11.770 8.727 ( 4.173 0.000 -11.038) 11.801 8.962 ( 3.551 0.000 4.513) 5.742 8.972 ( -7.311 0.000 2.488) 7.723 9.058 ( 3.469 0.000 -13.380) 13.823 9.142 ( -6.008 0.000 -7.498) 9.608 9.170 ( -4.629 0.000 3.294) 5.682 9.271 ( -4.251 0.000 2.604) 4.986 9.335 ( 3.541 0.000 -4.351) 5.610 9.393 ( -4.855 0.000 -6.171) 7.852 9.471 ( -2.714 0.000 -5.184) 5.851 9.542 ( -1.482 0.000 -1.967) 2.463 9.649 ( 11.006 0.000 -12.132) 16.380 9.747 ( 0.794 0.000 -6.213) 6.264 9.802 ( -3.234 0.000 -11.609) 12.051 9.958 ( 1.177 0.000 -13.224) 13.277 10.283 ( 7.062 0.000 -1.724) 7.270 10.299 ( 4.622 0.000 0.157) 4.625 10.348 ( -7.255 0.000 2.758) 7.762 10.353 ( -2.097 0.000 11.212) 11.406 10.544 ( 0.678 0.000 2.481) 2.572 10.585 ( 3.553 0.000 0.423) 3.578 10.639 ( 3.942 0.000 -1.099) 4.093 10.711 ( 0.917 0.000 5.804) 5.876 10.849 ( -2.577 0.000 6.820) 7.290 10.903 ( -13.548 0.000 3.844) 14.083 10.955 ( -2.408 0.000 4.870) 5.433 10.981 ( -7.891 0.000 -3.601) 8.674 11.147 ( -3.157 0.000 -3.173) 4.476 11.154 ( -0.686 0.000 -6.028) 6.067 11.255 ( -6.081 0.000 -9.061) 10.912 11.355 ( -11.334 0.000 -2.506) 11.607 11.431 ( 0.579 0.000 -3.397) 3.446 11.453 ( 9.290 0.000 -3.342) 9.873 11.492 ( -6.153 0.000 -1.970) 6.460 11.600 ( 1.208 0.000 5.765) 5.891 11.657 ( 3.407 0.000 -2.640) 4.310 11.760 ( -1.908 0.000 2.035) 2.789 11.776 ( 0.116 0.000 -4.335) 4.336 11.822 ( 4.359 0.000 3.359) 5.503 12.024 ( 2.494 0.000 -5.816) 6.328 12.081 ( 5.413 0.000 4.843) 7.263 12.116 ( 3.229 0.000 -3.746) 4.945 12.225 ( 0.292 0.000 -4.671) 4.680 12.254 ( -4.445 0.000 -6.299) 7.709 12.274 ( 2.432 0.000 -11.103) 11.366 12.470 ( 0.341 0.000 -5.663) 5.673 12.557 ( 1.900 0.000 -3.027) 3.574 12.694 ( 2.835 0.000 7.631) 8.141 12.823 ( -3.818 0.000 2.095) 4.355 12.876 ( -2.370 0.000 -3.641) 4.344 12.922 ( -2.998 0.000 -0.037) 2.998 13.176 ( 1.874 0.000 2.384) 3.033 13.360 ( 5.365 0.000 4.183) 6.803 13.435 ( 6.712 0.000 3.598) 7.616 13.515 ( 0.052 0.000 -6.832) 6.832 13.519 ( -9.925 0.000 5.420) 11.309 13.650 ( -3.147 0.000 5.660) 6.476 13.701 ( 1.416 0.000 9.581) 9.685 13.775 ( 2.539 0.000 -2.603) 3.637 13.910 ( -2.988 0.000 -2.920) 4.178 14.065 ( 6.707 0.000 -3.133) 7.403 14.132 ( -0.926 0.000 1.680) 1.919 14.245 ( 0.212 0.000 2.616) 2.624 14.288 ( 4.862 0.000 0.030) 4.862 14.448 ( -2.856 0.000 2.193) 3.601 14.612 ( -2.492 0.000 0.537) 2.549 14.680 ( 0.918 0.000 2.309) 2.485 14.685 ( 3.112 0.000 4.997) 5.887 14.785 ( -4.687 0.000 -3.189) 5.669 14.931 ( 6.243 0.000 6.949) 9.342 14.941 ( -0.080 0.000 1.292) 1.294 15.123 ( -1.270 0.000 -4.697) 4.865 15.164 ( 5.906 0.000 4.710) 7.554 15.224 ( -4.548 0.000 -9.367) 10.413 15.298 ( -2.991 0.000 0.202) 2.998 15.303 ( -3.061 0.000 -2.963) 4.260 15.341 ( 4.737 0.000 0.531) 4.767 15.354 ( 8.239 0.000 0.176) 8.241 15.442 ( -3.379 0.000 -1.088) 3.550 15.504 ( -3.028 0.000 0.238) 3.037 15.661 ( 3.710 0.000 -0.742) 3.784 15.867 ( -3.608 0.000 4.310) 5.621 15.930 ( 0.200 0.000 4.892) 4.896 16.090 ( -0.496 0.000 -0.650) 0.818 16.204 ( 2.523 0.000 1.803) 3.101 16.213 ( -5.569 0.000 -2.060) 5.938 16.329 ( -2.327 0.000 5.572) 6.038 16.330 ( -6.224 0.000 -7.874) 10.037 16.565 ( 1.395 0.000 -0.155) 1.404 16.692 ( -3.398 0.000 3.284) 4.726 16.694 ( 5.453 0.000 6.385) 8.396 17.569 ( 0.303 0.000 2.411) 2.430 17.593 ( -3.346 0.000 -2.275) 4.046 17.697 ( 2.336 0.000 3.528) 4.231 17.857 ( -7.633 0.000 -6.828) 10.241 18.347 ( -0.237 0.000 5.944) 5.949 18.499 ( 3.485 0.000 5.720) 6.698 18.573 ( -1.331 0.000 -0.804) 1.555 18.693 ( 4.744 0.000 -6.670) 8.185 19.370 ( 4.789 0.000 7.274) 8.709 19.680 ( -2.916 0.000 -7.754) 8.284 19.771 ( -0.383 0.000 5.175) 5.189 19.791 ( -4.203 0.000 4.446) 6.118 20.204 ( 7.524 0.000 11.092) 13.403 20.372 ( -10.874 0.000 -2.152) 11.085 20.703 ( 4.124 0.000 6.324) 7.550 20.985 ( -7.248 0.000 -5.135) 8.883 20.998 ( -0.397 0.000 0.478) 0.621 21.175 ( 2.868 0.000 0.832) 2.987 21.396 ( 4.423 0.000 6.853) 8.156 21.448 ( 4.127 0.000 -3.151) 5.193 21.531 ( -0.883 0.000 3.385) 3.498 21.851 ( 3.142 0.000 -12.025) 12.429 22.019 ( -5.499 0.000 5.743) 7.951 22.117 ( 0.391 0.000 -1.937) 1.976 22.448 ( -6.332 0.000 -1.141) 6.434 22.646 ( 5.176 0.000 -1.415) 5.366 22.999 ( 1.255 0.000 6.857) 6.971 23.320 ( 2.656 0.000 -3.414) 4.326 24.176 ( 0.462 0.000 3.391) 3.422 24.316 ( -0.597 0.000 -4.958) 4.994 24.553 ( -0.558 0.000 2.051) 2.126 24.819 ( 14.443 0.000 -0.841) 14.467 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -25.314 0.000 -3.666) 25.578 1.447 ( -20.895 0.000 3.256) 21.147 1.943 ( -9.665 0.000 -0.818) 9.699 2.004 ( -0.531 0.000 -0.751) 0.920 2.078 ( -0.458 0.000 0.253) 0.524 2.140 ( 2.339 0.000 -2.615) 3.509 2.270 ( -4.183 0.000 2.444) 4.844 2.292 ( -9.028 0.000 3.970) 9.862 2.427 ( -6.132 0.000 -4.182) 7.422 2.532 ( 2.574 0.000 -0.774) 2.688 2.605 ( -3.573 0.000 4.535) 5.773 2.609 ( -3.289 0.000 -6.667) 7.434 2.670 ( -0.445 0.000 0.482) 0.656 2.726 ( -5.905 0.000 2.526) 6.423 2.764 ( 3.640 0.000 1.625) 3.986 3.075 ( -17.318 0.000 1.122) 17.355 3.117 ( 3.765 0.000 7.328) 8.239 3.143 ( -21.001 0.000 15.306) 25.987 3.213 ( 6.738 0.000 -0.579) 6.763 3.332 ( 10.620 0.000 -0.505) 10.632 3.405 ( 6.584 0.000 6.400) 9.182 3.566 ( -2.906 0.000 0.947) 3.056 3.686 ( -5.484 0.000 -2.179) 5.901 3.704 ( -0.330 0.000 -4.113) 4.126 3.786 ( -1.711 0.000 1.788) 2.474 3.825 ( -26.600 0.000 -1.269) 26.630 3.912 ( 4.911 0.000 -0.174) 4.914 4.056 ( 0.638 0.000 4.364) 4.410 4.209 ( -8.341 0.000 -2.838) 8.811 4.303 ( -2.696 0.000 -7.964) 8.408 4.403 ( 2.244 0.000 -5.289) 5.745 4.514 ( -10.159 0.000 -3.254) 10.668 4.580 ( 2.860 0.000 0.193) 2.866 4.868 ( -15.678 0.000 -1.176) 15.722 5.102 ( -1.253 0.000 0.789) 1.481 5.256 ( -8.445 0.000 3.904) 9.304 5.352 ( 2.207 0.000 -4.469) 4.984 5.433 ( -7.734 0.000 -7.580) 10.829 5.435 ( -0.099 0.000 1.252) 1.256 5.534 ( -1.819 0.000 4.458) 4.815 5.535 ( -3.676 0.000 6.853) 7.776 5.654 ( -0.095 0.000 7.413) 7.413 5.777 ( -7.145 0.000 -1.957) 7.408 5.931 ( -9.554 0.000 -8.203) 12.592 5.950 ( 17.503 0.000 4.953) 18.190 5.995 ( -2.418 0.000 6.235) 6.688 6.037 ( 5.134 0.000 -1.786) 5.436 6.066 ( 1.572 0.000 2.826) 3.233 6.068 ( -0.956 0.000 6.596) 6.665 6.210 ( 2.951 0.000 2.252) 3.712 6.235 ( -0.605 0.000 -0.198) 0.637 6.323 ( -2.966 0.000 1.299) 3.238 6.342 ( 6.764 0.000 -2.368) 7.166 6.456 ( 9.124 0.000 -0.729) 9.153 6.763 ( 4.509 0.000 3.639) 5.794 6.895 ( 9.312 0.000 2.309) 9.594 7.009 ( 3.402 0.000 -0.660) 3.465 7.051 ( 0.130 0.000 5.070) 5.072 7.091 ( 4.528 0.000 6.140) 7.629 7.112 ( 0.810 0.000 7.343) 7.388 7.184 ( 3.568 0.000 7.163) 8.003 7.228 ( -0.774 0.000 -0.584) 0.969 7.310 ( 5.285 0.000 9.986) 11.298 7.385 ( 1.058 0.000 -3.656) 3.806 7.440 ( 1.679 0.000 -3.792) 4.147 7.455 ( 5.983 0.000 9.877) 11.548 7.491 ( 1.634 0.000 -10.237) 10.366 7.577 ( 6.746 0.000 -12.316) 14.043 7.771 ( -2.166 0.000 1.486) 2.627 7.886 ( 7.304 0.000 -1.517) 7.460 7.919 ( 8.759 0.000 8.814) 12.426 8.020 ( 2.541 0.000 -11.445) 11.724 8.034 ( 4.579 0.000 15.950) 16.594 8.037 ( -5.022 0.000 -16.179) 16.941 8.061 ( 1.132 0.000 7.715) 7.798 8.324 ( -5.063 0.000 -17.679) 18.389 8.324 ( 11.783 0.000 20.780) 23.888 8.514 ( -6.323 0.000 -24.260) 25.070 8.579 ( 6.748 0.000 0.444) 6.762 8.631 ( 7.076 0.000 -16.662) 18.102 8.677 ( -0.002 0.000 -8.632) 8.632 8.703 ( 6.848 0.000 7.441) 10.112 8.807 ( -5.457 0.000 2.259) 5.906 8.899 ( -3.753 0.000 -11.535) 12.130 8.965 ( 3.990 0.000 9.077) 9.915 9.074 ( -7.247 0.000 1.565) 7.414 9.121 ( -3.177 0.000 0.642) 3.241 9.199 ( -4.590 0.000 -4.547) 6.460 9.202 ( -5.563 0.000 1.049) 5.661 9.378 ( -2.290 0.000 -1.847) 2.942 9.482 ( 7.994 0.000 1.761) 8.186 9.570 ( 6.658 0.000 -10.481) 12.417 9.588 ( -6.835 0.000 -0.162) 6.837 9.624 ( 1.763 0.000 -1.742) 2.478 9.705 ( -1.000 0.000 -3.655) 3.789 9.844 ( 2.988 0.000 -6.409) 7.071 10.084 ( -10.650 0.000 -8.476) 13.611 10.299 ( 2.802 0.000 -3.909) 4.809 10.480 ( -2.982 0.000 -2.935) 4.184 10.489 ( 1.721 0.000 4.657) 4.965 10.504 ( 0.079 0.000 6.275) 6.276 10.656 ( -4.231 0.000 0.624) 4.277 10.718 ( -9.348 0.000 0.707) 9.375 10.735 ( 7.436 0.000 -2.183) 7.749 10.764 ( -12.057 0.000 2.282) 12.270 10.828 ( -3.060 0.000 8.748) 9.267 10.908 ( 1.029 0.000 0.776) 1.288 11.049 ( 1.136 0.000 1.535) 1.910 11.050 ( -5.092 0.000 -1.554) 5.324 11.090 ( -2.721 0.000 7.612) 8.084 11.115 ( -7.530 0.000 -6.707) 10.083 11.155 ( -1.655 0.000 10.105) 10.240 11.317 ( -7.117 0.000 -7.299) 10.195 11.447 ( 0.173 0.000 2.914) 2.919 11.597 ( 3.535 0.000 5.852) 6.837 11.649 ( 0.574 0.000 -5.915) 5.943 11.666 ( 5.077 0.000 -0.425) 5.095 11.830 ( 3.226 0.000 4.374) 5.435 11.862 ( 3.249 0.000 -3.426) 4.721 11.877 ( 3.037 0.000 -3.026) 4.287 11.933 ( 3.640 0.000 4.405) 5.714 12.133 ( -0.976 0.000 -6.362) 6.437 12.149 ( 4.890 0.000 -8.267) 9.605 12.219 ( 7.056 0.000 -1.709) 7.260 12.256 ( 5.927 0.000 7.215) 9.338 12.273 ( 3.628 0.000 3.665) 5.157 12.414 ( 3.052 0.000 -5.331) 6.143 12.516 ( 1.698 0.000 -4.331) 4.652 12.763 ( -5.910 0.000 6.566) 8.835 12.797 ( -3.422 0.000 -0.732) 3.500 12.850 ( 0.887 0.000 1.981) 2.170 12.878 ( -1.972 0.000 -2.580) 3.247 13.259 ( 1.501 0.000 8.788) 8.916 13.327 ( -9.195 0.000 0.176) 9.197 13.342 ( 0.820 0.000 -9.960) 9.994 13.494 ( -0.814 0.000 -10.207) 10.240 13.639 ( -2.098 0.000 8.041) 8.310 13.668 ( 8.313 0.000 5.243) 9.828 13.774 ( 0.859 0.000 1.173) 1.454 13.855 ( 5.251 0.000 5.389) 7.524 13.913 ( 5.476 0.000 1.523) 5.684 14.118 ( 6.613 0.000 -3.579) 7.519 14.153 ( -2.751 0.000 3.665) 4.583 14.272 ( 0.090 0.000 -1.057) 1.061 14.326 ( 3.155 0.000 -0.646) 3.220 14.455 ( -0.574 0.000 1.559) 1.662 14.591 ( -1.524 0.000 0.540) 1.617 14.677 ( -2.126 0.000 -3.946) 4.482 14.733 ( 1.541 0.000 4.900) 5.136 14.848 ( 8.941 0.000 5.020) 10.254 14.941 ( -5.074 0.000 -1.375) 5.258 15.005 ( -7.973 0.000 -2.823) 8.458 15.074 ( 1.627 0.000 4.470) 4.757 15.089 ( 2.937 0.000 -3.638) 4.676 15.182 ( -1.994 0.000 -7.280) 7.549 15.232 ( 3.942 0.000 -3.887) 5.536 15.237 ( -3.362 0.000 -0.316) 3.377 15.371 ( -3.079 0.000 -3.911) 4.978 15.395 ( 3.023 0.000 -5.788) 6.530 15.518 ( 4.895 0.000 6.216) 7.912 15.522 ( 1.363 0.000 6.497) 6.639 15.699 ( 3.166 0.000 -2.291) 3.908 15.900 ( -1.971 0.000 6.872) 7.149 16.018 ( 0.048 0.000 6.469) 6.470 16.024 ( -8.404 0.000 -7.298) 11.130 16.092 ( -1.977 0.000 6.795) 7.076 16.189 ( -4.233 0.000 -2.541) 4.938 16.283 ( 3.770 0.000 2.156) 4.343 16.390 ( 0.111 0.000 5.986) 5.987 16.600 ( 4.147 0.000 -1.064) 4.281 16.614 ( -7.189 0.000 -2.650) 7.662 16.814 ( 2.113 0.000 2.702) 3.430 17.541 ( -2.327 0.000 1.348) 2.689 17.589 ( -0.327 0.000 1.625) 1.658 17.687 ( -6.117 0.000 -3.663) 7.130 17.752 ( -0.589 0.000 3.500) 3.549 18.407 ( -1.748 0.000 5.727) 5.988 18.538 ( 0.056 0.000 -2.830) 2.830 18.620 ( 3.432 0.000 4.410) 5.588 18.668 ( 4.735 0.000 -9.305) 10.441 19.501 ( -5.197 0.000 -8.906) 10.312 19.535 ( 4.054 0.000 8.001) 8.969 19.757 ( -6.387 0.000 2.375) 6.814 19.798 ( -2.142 0.000 2.209) 3.077 20.160 ( -11.561 0.000 -4.399) 12.370 20.480 ( 8.870 0.000 10.508) 13.751 20.703 ( -12.339 0.000 -14.286) 18.877 20.798 ( -3.097 0.000 5.367) 6.196 21.014 ( -0.338 0.000 4.284) 4.297 21.195 ( 1.679 0.000 -5.297) 5.557 21.448 ( -3.927 0.000 -6.469) 7.567 21.472 ( -0.282 0.000 2.441) 2.457 21.549 ( 1.930 0.000 7.329) 7.578 21.779 ( 5.749 0.000 -11.791) 13.118 22.008 ( -4.144 0.000 4.217) 5.913 22.147 ( 1.132 0.000 4.020) 4.176 22.355 ( -5.861 0.000 2.319) 6.303 22.781 ( 12.847 0.000 -0.269) 12.850 23.069 ( -1.802 0.000 4.909) 5.229 23.318 ( 5.648 0.000 -6.265) 8.435 24.258 ( 0.877 0.000 6.749) 6.806 24.281 ( 2.729 0.000 -3.101) 4.131 24.540 ( 1.151 0.000 -4.143) 4.300 24.986 ( 14.397 0.000 -9.070) 17.016 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -21.259 0.000 18.116) 27.931 1.209 ( -27.329 0.000 18.238) 32.856 1.756 ( -20.645 0.000 7.514) 21.969 1.996 ( 0.708 0.000 -0.625) 0.944 2.010 ( -25.919 0.000 0.700) 25.928 2.107 ( -0.269 0.000 3.626) 3.636 2.120 ( -1.775 0.000 -0.049) 1.776 2.273 ( -2.417 0.000 5.262) 5.790 2.358 ( 1.339 0.000 5.316) 5.482 2.566 ( 3.152 0.000 -2.396) 3.959 2.587 ( -3.111 0.000 1.371) 3.400 2.623 ( -3.176 0.000 4.854) 5.801 2.645 ( 1.269 0.000 8.123) 8.222 2.756 ( 1.476 0.000 4.149) 4.404 2.804 ( -0.499 0.000 0.554) 0.746 2.922 ( -13.192 0.000 16.990) 21.510 3.129 ( -11.826 0.000 12.900) 17.501 3.240 ( -1.406 0.000 11.577) 11.662 3.357 ( 5.778 0.000 3.319) 6.664 3.369 ( -4.682 0.000 -7.606) 8.931 3.496 ( 1.371 0.000 -3.021) 3.318 3.526 ( -6.017 0.000 2.646) 6.573 3.609 ( -2.488 0.000 0.034) 2.489 3.704 ( -1.107 0.000 9.806) 9.868 3.753 ( 9.781 0.000 5.423) 11.183 3.818 ( 1.808 0.000 3.415) 3.864 3.970 ( 1.292 0.000 -3.835) 4.046 4.011 ( -5.857 0.000 -0.974) 5.938 4.152 ( -9.498 0.000 -5.445) 10.948 4.157 ( 6.930 0.000 1.547) 7.100 4.317 ( -10.742 0.000 0.925) 10.781 4.355 ( 4.646 0.000 -8.694) 9.857 4.619 ( -1.094 0.000 2.268) 2.518 4.619 ( -10.046 0.000 -6.282) 11.849 5.000 ( -4.488 0.000 -3.988) 6.003 5.162 ( -8.131 0.000 -11.203) 13.842 5.181 ( -8.477 0.000 3.517) 9.177 5.379 ( 0.940 0.000 -0.149) 0.952 5.424 ( 1.579 0.000 -1.512) 2.186 5.523 ( -14.129 0.000 -2.129) 14.288 5.565 ( -3.249 0.000 2.306) 3.985 5.596 ( -2.754 0.000 2.367) 3.631 5.696 ( 3.596 0.000 4.200) 5.529 5.830 ( -5.488 0.000 3.590) 6.558 5.941 ( -6.005 0.000 -3.240) 6.824 6.000 ( -7.484 0.000 1.513) 7.636 6.055 ( 0.576 0.000 -3.517) 3.564 6.083 ( 2.611 0.000 -1.888) 3.222 6.225 ( -2.262 0.000 -15.652) 15.815 6.244 ( 1.636 0.000 -0.353) 1.674 6.283 ( 3.386 0.000 9.115) 9.724 6.313 ( 4.808 0.000 4.359) 6.489 6.485 ( 8.092 0.000 -0.913) 8.143 6.654 ( 15.260 0.000 8.288) 17.366 6.820 ( -2.181 0.000 2.447) 3.278 7.009 ( 3.447 0.000 5.544) 6.528 7.044 ( -1.796 0.000 -0.337) 1.828 7.045 ( 2.798 0.000 -5.844) 6.479 7.125 ( -11.701 0.000 -13.052) 17.529 7.146 ( 0.064 0.000 -1.956) 1.957 7.147 ( 3.068 0.000 -8.928) 9.441 7.231 ( 2.081 0.000 -3.757) 4.295 7.242 ( 1.042 0.000 -6.249) 6.335 7.333 ( 3.864 0.000 -5.322) 6.577 7.484 ( 1.209 0.000 -7.662) 7.756 7.513 ( 3.667 0.000 1.266) 3.880 7.538 ( 2.379 0.000 3.946) 4.608 7.692 ( 12.103 0.000 12.917) 17.701 7.731 ( 0.497 0.000 -6.856) 6.874 7.846 ( 1.386 0.000 0.079) 1.388 7.994 ( 4.587 0.000 1.549) 4.841 8.045 ( 2.178 0.000 -1.258) 2.515 8.077 ( -0.870 0.000 -13.083) 13.112 8.092 ( 4.095 0.000 2.333) 4.712 8.188 ( 13.549 0.000 6.506) 15.030 8.220 ( 6.467 0.000 -8.956) 11.047 8.435 ( 10.032 0.000 24.078) 26.084 8.474 ( -4.339 0.000 -2.742) 5.133 8.521 ( -2.568 0.000 -17.748) 17.933 8.632 ( 6.518 0.000 -6.345) 9.096 8.683 ( -3.933 0.000 -5.272) 6.577 8.726 ( -1.283 0.000 7.855) 7.959 8.754 ( 3.598 0.000 -7.997) 8.769 8.840 ( 2.047 0.000 5.179) 5.569 8.987 ( -8.910 0.000 1.692) 9.070 8.993 ( -5.272 0.000 -4.909) 7.204 9.149 ( -2.314 0.000 -0.800) 2.448 9.161 ( -2.607 0.000 8.304) 8.703 9.266 ( 5.525 0.000 9.024) 10.581 9.408 ( 2.328 0.000 9.779) 10.053 9.498 ( -3.514 0.000 4.184) 5.464 9.498 ( -7.121 0.000 -5.985) 9.302 9.642 ( 10.051 0.000 5.854) 11.632 9.648 ( -2.329 0.000 5.948) 6.388 9.706 ( 6.874 0.000 -0.242) 6.878 9.814 ( -10.295 0.000 -10.114) 14.432 9.918 ( 6.042 0.000 5.221) 7.985 10.252 ( -0.403 0.000 -8.164) 8.174 10.383 ( -3.208 0.000 -1.227) 3.434 10.468 ( -4.552 0.000 3.557) 5.777 10.476 ( -11.288 0.000 -3.548) 11.833 10.599 ( -3.470 0.000 4.338) 5.555 10.615 ( -3.883 0.000 -2.405) 4.567 10.617 ( 2.953 0.000 -9.571) 10.016 10.769 ( 2.430 0.000 -2.998) 3.859 10.865 ( -5.358 0.000 -1.751) 5.637 10.944 ( 0.720 0.000 8.180) 8.212 11.018 ( -4.176 0.000 6.272) 7.535 11.053 ( 7.126 0.000 3.936) 8.141 11.096 ( 2.160 0.000 1.368) 2.557 11.139 ( -4.461 0.000 -5.163) 6.823 11.181 ( 2.198 0.000 7.720) 8.027 11.421 ( -3.974 0.000 7.386) 8.387 11.452 ( 1.375 0.000 15.068) 15.131 11.485 ( -8.540 0.000 -9.305) 12.630 11.698 ( -2.643 0.000 8.358) 8.766 11.743 ( 1.498 0.000 -7.248) 7.401 11.744 ( 8.960 0.000 -4.475) 10.015 11.930 ( 1.852 0.000 6.245) 6.514 12.014 ( 1.890 0.000 0.970) 2.124 12.040 ( 6.559 0.000 -2.855) 7.154 12.077 ( 3.920 0.000 -1.495) 4.195 12.212 ( 10.145 0.000 -0.048) 10.145 12.308 ( 4.786 0.000 0.827) 4.857 12.345 ( -0.936 0.000 4.044) 4.151 12.368 ( 5.184 0.000 -2.608) 5.803 12.442 ( 0.149 0.000 3.767) 3.770 12.542 ( 1.748 0.000 -1.564) 2.346 12.767 ( -2.102 0.000 -0.847) 2.266 12.779 ( -5.487 0.000 10.995) 12.288 12.831 ( 4.120 0.000 -1.538) 4.398 12.841 ( -3.385 0.000 3.717) 5.027 13.128 ( -9.509 0.000 -3.264) 10.054 13.278 ( 1.679 0.000 -3.782) 4.138 13.382 ( 3.882 0.000 -5.749) 6.937 13.534 ( 2.404 0.000 13.170) 13.387 13.614 ( 4.423 0.000 2.319) 4.994 13.836 ( 5.640 0.000 0.789) 5.695 13.900 ( 9.153 0.000 -0.701) 9.179 13.920 ( 3.674 0.000 -3.539) 5.101 14.041 ( 6.940 0.000 -1.192) 7.042 14.110 ( -5.753 0.000 -1.237) 5.885 14.156 ( 3.750 0.000 -3.227) 4.947 14.276 ( 6.340 0.000 -3.274) 7.135 14.369 ( 0.433 0.000 3.639) 3.664 14.410 ( -4.589 0.000 -2.717) 5.333 14.586 ( -4.474 0.000 -6.378) 7.790 14.595 ( 1.351 0.000 -0.648) 1.499 14.823 ( 3.601 0.000 1.504) 3.902 14.827 ( -1.134 0.000 0.773) 1.372 14.908 ( -4.702 0.000 0.292) 4.711 14.951 ( -2.596 0.000 -4.615) 5.295 15.063 ( 3.113 0.000 -0.650) 3.180 15.125 ( -4.054 0.000 -1.483) 4.317 15.158 ( 2.651 0.000 -0.868) 2.789 15.194 ( 1.520 0.000 1.863) 2.404 15.242 ( 1.517 0.000 -0.497) 1.596 15.266 ( -0.729 0.000 -4.477) 4.536 15.386 ( 1.573 0.000 2.034) 2.571 15.605 ( 4.666 0.000 0.333) 4.678 15.652 ( 3.817 0.000 5.075) 6.351 15.687 ( -0.430 0.000 -2.835) 2.867 15.859 ( -4.451 0.000 -2.506) 5.108 15.963 ( -1.212 0.000 6.053) 6.174 16.069 ( 2.789 0.000 0.738) 2.885 16.149 ( -0.972 0.000 2.314) 2.510 16.189 ( -6.477 0.000 11.482) 13.183 16.323 ( 0.137 0.000 0.016) 0.138 16.470 ( -3.573 0.000 2.638) 4.442 16.475 ( 0.964 0.000 -0.392) 1.041 16.641 ( 4.953 0.000 -3.792) 6.238 16.816 ( -1.071 0.000 -3.256) 3.428 17.550 ( -2.359 0.000 0.977) 2.553 17.589 ( -1.166 0.000 -1.306) 1.751 17.613 ( -0.215 0.000 2.794) 2.802 17.768 ( -4.069 0.000 4.295) 5.916 18.437 ( -3.691 0.000 5.542) 6.658 18.511 ( 1.380 0.000 -2.775) 3.099 18.565 ( 1.700 0.000 -17.203) 17.287 18.684 ( 0.471 0.000 0.352) 0.588 19.336 ( -2.690 0.000 -7.032) 7.529 19.504 ( -17.002 0.000 -11.055) 20.280 19.744 ( 3.628 0.000 7.133) 8.003 19.786 ( -1.972 0.000 1.795) 2.666 20.005 ( -6.039 0.000 6.546) 8.906 20.350 ( -11.756 0.000 -7.528) 13.960 20.694 ( 5.095 0.000 5.004) 7.142 20.752 ( -4.551 0.000 0.376) 4.567 21.062 ( -4.886 0.000 6.162) 7.864 21.112 ( 0.374 0.000 -8.187) 8.195 21.340 ( 1.281 0.000 -5.831) 5.970 21.485 ( -1.015 0.000 -1.365) 1.701 21.586 ( -5.081 0.000 5.494) 7.484 21.743 ( 8.003 0.000 -8.703) 11.823 22.027 ( -3.608 0.000 7.794) 8.589 22.207 ( -1.542 0.000 4.537) 4.792 22.373 ( -1.128 0.000 9.253) 9.322 22.950 ( 10.508 0.000 -3.268) 11.004 23.081 ( -0.926 0.000 1.423) 1.698 23.305 ( 5.619 0.000 -12.197) 13.429 24.307 ( -5.048 0.000 2.955) 5.850 24.312 ( 4.237 0.000 -1.151) 4.390 24.526 ( 6.715 0.000 -4.852) 8.285 24.921 ( 2.214 0.000 -23.608) 23.712 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -8.413 0.000 33.646) 34.682 1.099 ( -21.814 0.000 26.231) 34.116 1.704 ( -12.128 0.000 31.162) 33.439 1.894 ( -4.293 0.000 10.639) 11.472 2.012 ( 0.956 0.000 0.999) 1.383 2.114 ( 0.397 0.000 -0.950) 1.029 2.141 ( -0.890 0.000 3.304) 3.422 2.261 ( -6.258 0.000 -0.842) 6.314 2.401 ( -3.269 0.000 3.901) 5.089 2.499 ( -4.487 0.000 -0.401) 4.505 2.598 ( 1.066 0.000 -2.886) 3.077 2.619 ( -5.734 0.000 -1.633) 5.962 2.721 ( -3.001 0.000 1.595) 3.398 2.794 ( -0.887 0.000 0.591) 1.065 2.898 ( 2.022 0.000 21.260) 21.356 3.021 ( -9.164 0.000 13.314) 16.162 3.118 ( -7.196 0.000 14.266) 15.978 3.143 ( -8.394 0.000 -2.872) 8.872 3.286 ( -8.103 0.000 -0.499) 8.119 3.387 ( 3.816 0.000 4.967) 6.264 3.462 ( -2.573 0.000 -2.920) 3.892 3.541 ( -4.234 0.000 -2.900) 5.132 3.593 ( -6.772 0.000 6.874) 9.649 3.766 ( -6.962 0.000 -7.520) 10.248 3.870 ( 2.773 0.000 -3.041) 4.116 3.886 ( -6.456 0.000 -3.073) 7.150 3.887 ( -1.334 0.000 -0.826) 1.569 3.941 ( 3.223 0.000 5.469) 6.348 4.124 ( 7.969 0.000 12.831) 15.105 4.248 ( 9.163 0.000 -7.230) 11.672 4.290 ( 0.469 0.000 0.712) 0.852 4.342 ( 6.622 0.000 -6.123) 9.019 4.509 ( 0.154 0.000 3.637) 3.641 4.587 ( -2.865 0.000 -0.936) 3.014 4.989 ( -0.933 0.000 1.212) 1.529 5.028 ( 5.359 0.000 6.255) 8.236 5.083 ( -8.484 0.000 0.891) 8.531 5.298 ( -5.172 0.000 -2.468) 5.730 5.398 ( -5.422 0.000 -4.545) 7.075 5.411 ( 0.118 0.000 2.588) 2.591 5.504 ( -2.829 0.000 -3.911) 4.827 5.604 ( 0.960 0.000 2.308) 2.500 5.777 ( -4.770 0.000 -1.160) 4.909 5.818 ( -0.498 0.000 -3.002) 3.044 5.835 ( -3.762 0.000 -2.138) 4.327 5.853 ( 2.636 0.000 3.458) 4.348 5.909 ( -4.789 0.000 2.449) 5.379 6.088 ( 2.618 0.000 -3.548) 4.410 6.137 ( 5.512 0.000 -6.092) 8.215 6.228 ( -4.902 0.000 2.945) 5.718 6.355 ( -1.525 0.000 0.340) 1.562 6.550 ( 1.828 0.000 8.370) 8.568 6.579 ( 6.250 0.000 0.511) 6.271 6.755 ( 4.274 0.000 -4.016) 5.865 6.885 ( 3.679 0.000 -0.002) 3.679 6.893 ( 1.629 0.000 0.698) 1.772 6.960 ( -4.049 0.000 -1.191) 4.221 7.097 ( 5.580 0.000 1.876) 5.887 7.106 ( -1.991 0.000 -6.020) 6.341 7.133 ( -1.024 0.000 0.569) 1.171 7.183 ( 2.534 0.000 1.726) 3.066 7.190 ( 5.923 0.000 -3.088) 6.679 7.291 ( 6.921 0.000 -1.974) 7.197 7.368 ( 4.525 0.000 1.519) 4.773 7.383 ( 3.539 0.000 -3.018) 4.651 7.542 ( -0.565 0.000 -2.934) 2.987 7.620 ( 2.677 0.000 1.231) 2.946 7.690 ( 1.520 0.000 -4.593) 4.838 7.872 ( -12.549 0.000 -5.708) 13.786 7.935 ( 5.642 0.000 0.183) 5.645 8.005 ( 11.283 0.000 6.816) 13.182 8.070 ( 7.857 0.000 1.159) 7.942 8.141 ( 4.218 0.000 -14.197) 14.810 8.142 ( 8.537 0.000 -7.365) 11.275 8.253 ( 6.143 0.000 -1.927) 6.439 8.335 ( -9.236 0.000 -0.771) 9.268 8.379 ( 10.881 0.000 -1.881) 11.043 8.445 ( -8.613 0.000 -7.187) 11.218 8.480 ( 10.367 0.000 4.344) 11.241 8.656 ( 3.855 0.000 -4.206) 5.705 8.668 ( -5.278 0.000 2.112) 5.685 8.715 ( -3.934 0.000 -0.151) 3.937 8.767 ( 8.816 0.000 -4.433) 9.867 8.884 ( -8.664 0.000 2.505) 9.019 8.901 ( -1.214 0.000 -1.691) 2.082 8.977 ( 0.863 0.000 4.969) 5.043 9.071 ( -5.929 0.000 0.070) 5.930 9.192 ( -3.364 0.000 15.700) 16.056 9.346 ( 1.034 0.000 -5.655) 5.749 9.350 ( -10.819 0.000 -9.644) 14.494 9.427 ( 2.113 0.000 -2.084) 2.968 9.520 ( -0.551 0.000 10.443) 10.458 9.766 ( 0.165 0.000 17.762) 17.763 9.791 ( 5.180 0.000 -1.567) 5.411 9.873 ( 8.482 0.000 16.940) 18.945 9.908 ( 8.561 0.000 9.505) 12.792 10.101 ( 8.612 0.000 2.413) 8.944 10.154 ( -2.177 0.000 2.560) 3.360 10.234 ( -7.935 0.000 -6.692) 10.381 10.361 ( 0.577 0.000 0.597) 0.830 10.419 ( -6.515 0.000 -5.167) 8.315 10.532 ( 3.322 0.000 -4.955) 5.966 10.605 ( 3.802 0.000 1.369) 4.041 10.688 ( -0.246 0.000 4.223) 4.230 10.749 ( 2.214 0.000 -4.162) 4.714 10.797 ( -2.506 0.000 3.572) 4.364 11.007 ( 4.031 0.000 -0.577) 4.072 11.039 ( -3.600 0.000 2.255) 4.248 11.105 ( -2.879 0.000 10.939) 11.311 11.159 ( 1.077 0.000 -3.373) 3.541 11.237 ( 7.189 0.000 -0.737) 7.227 11.265 ( -5.730 0.000 4.104) 7.048 11.280 ( -2.736 0.000 5.215) 5.889 11.453 ( 6.547 0.000 2.954) 7.183 11.607 ( -2.754 0.000 6.600) 7.151 11.716 ( 2.405 0.000 -0.848) 2.550 11.730 ( -5.233 0.000 7.402) 9.065 11.845 ( 7.727 0.000 -0.532) 7.745 12.006 ( -5.636 0.000 6.192) 8.372 12.018 ( 1.397 0.000 -5.076) 5.265 12.047 ( 7.368 0.000 -2.277) 7.712 12.164 ( 5.176 0.000 -0.677) 5.220 12.288 ( -3.857 0.000 -0.712) 3.922 12.343 ( 2.116 0.000 1.068) 2.370 12.410 ( 3.665 0.000 2.653) 4.524 12.411 ( -6.563 0.000 -5.343) 8.463 12.471 ( 7.498 0.000 2.544) 7.918 12.520 ( -1.480 0.000 8.638) 8.764 12.694 ( -0.684 0.000 -5.043) 5.089 12.734 ( -1.697 0.000 -5.599) 5.850 12.906 ( -12.922 0.000 13.312) 18.553 12.962 ( 5.662 0.000 5.099) 7.620 13.010 ( -2.778 0.000 2.004) 3.425 13.313 ( 4.738 0.000 2.768) 5.488 13.478 ( 12.016 0.000 0.111) 12.016 13.483 ( -5.368 0.000 -2.409) 5.883 13.840 ( -4.409 0.000 -10.490) 11.379 13.841 ( 3.931 0.000 -6.177) 7.322 13.904 ( 5.334 0.000 -7.930) 9.557 13.913 ( 10.731 0.000 -8.256) 13.539 13.975 ( -3.025 0.000 -5.063) 5.898 14.110 ( 4.237 0.000 -0.035) 4.237 14.149 ( -1.082 0.000 -1.942) 2.223 14.252 ( 0.947 0.000 -10.019) 10.064 14.261 ( -7.482 0.000 -4.641) 8.804 14.450 ( 1.478 0.000 0.415) 1.536 14.460 ( 1.732 0.000 -9.916) 10.066 14.576 ( -1.878 0.000 -0.635) 1.982 14.762 ( -3.823 0.000 -12.182) 12.768 14.852 ( -4.511 0.000 -1.305) 4.696 14.868 ( -0.714 0.000 1.467) 1.632 14.894 ( -3.070 0.000 7.524) 8.127 14.994 ( 1.538 0.000 -5.891) 6.089 15.058 ( -5.113 0.000 -1.743) 5.401 15.189 ( 3.428 0.000 -0.674) 3.494 15.224 ( 0.932 0.000 1.201) 1.520 15.271 ( 0.509 0.000 1.437) 1.524 15.346 ( 6.703 0.000 4.219) 7.921 15.420 ( -2.686 0.000 2.385) 3.592 15.646 ( -1.227 0.000 0.140) 1.234 15.680 ( 2.688 0.000 -0.095) 2.689 15.813 ( -1.410 0.000 0.706) 1.577 15.820 ( 7.467 0.000 4.964) 8.966 16.014 ( -0.991 0.000 4.541) 4.648 16.097 ( -3.146 0.000 1.608) 3.533 16.156 ( 3.388 0.000 -3.940) 5.196 16.193 ( -0.300 0.000 4.886) 4.895 16.343 ( -2.377 0.000 0.236) 2.389 16.382 ( -5.612 0.000 -2.067) 5.981 16.572 ( 2.102 0.000 2.365) 3.164 16.635 ( 2.595 0.000 -6.900) 7.372 16.735 ( -0.579 0.000 -5.606) 5.636 17.390 ( -12.414 0.000 -11.083) 16.641 17.509 ( -2.554 0.000 -2.405) 3.508 17.642 ( 0.474 0.000 0.863) 0.985 17.728 ( -8.051 0.000 3.351) 8.720 18.412 ( 5.676 0.000 -4.367) 7.161 18.440 ( -5.446 0.000 5.750) 7.919 18.546 ( 8.528 0.000 0.142) 8.529 18.631 ( -3.962 0.000 -4.233) 5.797 19.152 ( -12.165 0.000 0.932) 12.200 19.266 ( 2.800 0.000 -4.239) 5.080 19.807 ( 0.058 0.000 4.256) 4.257 19.860 ( -1.384 0.000 5.691) 5.857 20.178 ( 8.843 0.000 8.211) 12.068 20.290 ( 7.337 0.000 7.085) 10.200 20.612 ( -5.923 0.000 -5.604) 8.154 20.836 ( 1.942 0.000 4.126) 4.560 21.018 ( -5.288 0.000 1.478) 5.491 21.080 ( 5.670 0.000 -0.740) 5.718 21.341 ( 4.737 0.000 -1.961) 5.127 21.386 ( -1.459 0.000 -7.566) 7.705 21.627 ( -1.829 0.000 7.090) 7.322 21.811 ( 10.125 0.000 -2.234) 10.368 22.062 ( -6.547 0.000 8.817) 10.981 22.189 ( -5.284 0.000 0.228) 5.289 22.492 ( -0.759 0.000 5.187) 5.242 22.969 ( -0.157 0.000 -3.841) 3.844 23.090 ( 3.280 0.000 -5.247) 6.187 23.105 ( -8.784 0.000 -10.748) 13.881 24.198 ( -5.542 0.000 -5.064) 7.507 24.297 ( -1.366 0.000 -7.366) 7.492 24.604 ( 5.609 0.000 0.613) 5.642 24.678 ( 2.472 0.000 -4.800) 5.399 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.948 7.983 25.354) 26.872 1.533 ( 1.836 15.663 22.310) 27.321 1.840 ( -1.605 -9.720 9.902) 13.968 1.991 ( 1.282 -2.997 8.081) 8.713 2.028 ( 0.490 -1.764 4.951) 5.279 2.090 ( 0.441 -3.522 1.075) 3.709 2.192 ( -0.831 5.173 0.324) 5.249 2.285 ( 0.472 5.956 3.727) 7.042 2.330 ( -5.287 -0.552 -2.298) 5.792 2.406 ( -5.484 -0.039 -3.838) 6.693 2.509 ( -0.794 -1.885 0.322) 2.070 2.548 ( -2.885 -1.481 -0.946) 3.378 2.732 ( -4.930 2.760 6.106) 8.319 2.758 ( 0.763 -1.792 0.389) 1.986 2.851 ( -7.197 -2.884 -1.484) 7.895 2.987 ( -4.672 -8.133 4.444) 10.379 3.162 ( -4.691 1.229 1.936) 5.221 3.266 ( -2.149 0.304 9.426) 9.672 3.335 ( -9.387 0.405 -1.846) 9.575 3.383 ( 1.789 1.615 -2.656) 3.587 3.447 ( 2.255 2.255 5.153) 6.060 3.496 ( 0.959 0.711 19.942) 19.978 3.528 ( -1.291 -1.567 -0.038) 2.031 3.634 ( -7.269 2.892 -3.971) 8.774 3.686 ( 1.109 7.221 5.778) 9.314 3.774 ( -3.095 -5.417 1.426) 6.399 4.023 ( 2.019 1.110 8.388) 8.699 4.074 ( -0.235 -0.557 -1.830) 1.928 4.172 ( -0.870 -0.780 -0.522) 1.279 4.261 ( 2.314 -3.215 -3.781) 5.476 4.278 ( 1.096 -3.173 -1.343) 3.615 4.380 ( 6.444 -4.245 -4.852) 9.115 4.441 ( 2.847 0.382 2.179) 3.605 4.688 ( -0.511 -12.400 15.490) 19.848 4.976 ( -0.054 4.799 6.183) 7.827 5.032 ( -3.590 -2.057 -3.923) 5.702 5.115 ( 0.951 -3.983 3.824) 5.603 5.205 ( 1.706 4.265 -1.381) 4.797 5.278 ( 1.694 -8.866 -1.328) 9.123 5.446 ( 6.450 2.217 -1.392) 6.961 5.550 ( 4.457 4.059 0.626) 6.060 5.649 ( -2.408 4.361 -2.085) 5.400 5.679 ( 0.976 -1.485 0.080) 1.779 5.747 ( -5.318 -2.412 2.471) 6.340 5.933 ( -0.812 2.218 4.446) 5.035 5.999 ( -1.588 2.022 2.007) 3.262 6.009 ( 4.742 0.938 0.082) 4.835 6.094 ( 3.779 -7.293 0.267) 8.218 6.221 ( -1.428 6.358 3.209) 7.264 6.246 ( 2.571 4.867 -1.797) 5.790 6.346 ( -3.736 8.906 -1.136) 9.725 6.532 ( -6.345 3.010 3.855) 8.012 6.694 ( -1.811 5.122 -8.641) 10.207 6.749 ( 3.916 3.994 -7.429) 9.300 6.797 ( 0.977 3.170 -4.162) 5.322 6.905 ( -4.028 0.031 -0.961) 4.141 6.967 ( -4.110 -4.117 -4.147) 7.145 7.055 ( -0.438 -2.087 4.726) 5.185 7.094 ( 0.170 -2.446 -2.255) 3.331 7.161 ( 7.046 0.755 -0.983) 7.155 7.215 ( 0.573 0.737 0.501) 1.060 7.274 ( -2.698 3.937 3.008) 5.641 7.344 ( -1.189 0.043 -1.778) 2.139 7.380 ( -2.790 -4.933 -5.630) 7.989 7.451 ( -2.384 -2.280 -0.149) 3.302 7.504 ( 0.155 -1.862 -0.573) 1.955 7.538 ( 1.670 1.231 -1.267) 2.431 7.660 ( 4.514 -1.528 -1.836) 5.107 7.684 ( 1.661 -3.812 -7.408) 8.495 7.884 ( -1.489 -2.607 -11.532) 11.916 7.930 ( -7.334 -2.205 -0.954) 7.717 7.978 ( 3.048 -6.065 -2.004) 7.078 8.069 ( 1.927 2.004 -12.088) 12.403 8.198 ( -1.823 -2.821 -3.893) 5.142 8.239 ( 5.215 -0.478 -0.639) 5.276 8.318 ( -1.394 -0.842 -3.823) 4.155 8.451 ( 7.516 4.028 4.766) 9.769 8.459 ( -6.044 0.344 -4.271) 7.409 8.499 ( -7.392 -3.496 -8.685) 11.929 8.561 ( -5.600 1.896 -0.550) 5.938 8.618 ( 7.332 1.670 1.333) 7.637 8.695 ( 7.528 -2.668 4.861) 9.350 8.831 ( 0.351 1.697 -0.907) 1.957 8.897 ( -2.171 0.089 -0.157) 2.179 8.943 ( 3.694 6.196 3.961) 8.229 9.008 ( 0.292 4.425 -1.500) 4.681 9.107 ( 4.157 -0.668 0.840) 4.293 9.198 ( 1.842 0.120 0.878) 2.045 9.279 ( 0.797 -3.611 -6.933) 7.858 9.338 ( 5.543 -2.253 -7.420) 9.532 9.466 ( 1.082 3.093 13.353) 13.749 9.656 ( -2.982 -4.765 6.231) 8.392 9.825 ( 2.074 2.920 4.659) 5.876 9.923 ( 3.221 -1.566 -4.931) 6.094 9.972 ( -1.821 -2.777 13.463) 13.867 10.059 ( -2.613 0.333 2.269) 3.477 10.107 ( -5.575 0.846 -3.182) 6.475 10.252 ( 2.334 -3.907 6.538) 7.966 10.320 ( 2.473 4.192 2.072) 5.289 10.374 ( 6.528 6.104 3.681) 9.666 10.496 ( 1.284 -5.047 -2.204) 5.655 10.549 ( 2.589 4.142 7.067) 8.591 10.639 ( 9.321 1.763 1.447) 9.596 10.680 ( 4.674 0.678 1.150) 4.861 10.778 ( 2.188 -0.406 -0.239) 2.238 10.867 ( 2.772 -4.246 4.305) 6.651 10.958 ( 1.968 -3.418 -3.672) 5.389 10.999 ( -4.245 0.163 1.650) 4.557 11.119 ( -5.557 2.231 6.899) 9.135 11.179 ( -2.550 -0.792 8.608) 9.012 11.267 ( -3.805 4.801 9.667) 11.444 11.353 ( 1.446 1.890 3.628) 4.339 11.475 ( 7.936 0.365 1.793) 8.144 11.543 ( -0.175 3.093 -4.908) 5.803 11.599 ( 1.240 -2.877 -0.634) 3.197 11.705 ( 0.169 -3.467 2.133) 4.074 11.840 ( -1.896 3.467 6.208) 7.359 11.846 ( -2.709 -1.247 3.166) 4.350 11.981 ( -3.916 -0.117 5.090) 6.423 12.028 ( 1.713 -1.024 -2.895) 3.516 12.086 ( 2.655 1.120 -0.974) 3.042 12.137 ( -0.776 -5.010 1.646) 5.330 12.202 ( 0.377 -4.333 4.669) 6.382 12.241 ( -4.958 -1.036 3.464) 6.137 12.411 ( -0.087 -0.274 2.160) 2.179 12.438 ( 0.387 -1.383 -0.536) 1.532 12.553 ( 2.564 -0.068 4.384) 5.079 12.606 ( -3.166 -0.391 2.059) 3.797 12.665 ( -4.338 0.857 2.217) 4.946 12.717 ( 2.519 1.820 9.042) 9.561 12.841 ( -5.920 0.954 -0.119) 5.998 12.999 ( -4.144 -3.542 5.449) 7.708 13.083 ( 0.517 1.744 1.570) 2.403 13.283 ( -4.390 -5.295 -6.135) 9.216 13.436 ( 5.730 0.905 -3.934) 7.009 13.562 ( 0.266 -3.886 -6.023) 7.172 13.618 ( -10.315 -3.191 -7.111) 12.929 13.670 ( 5.779 -3.451 -6.476) 9.341 13.821 ( -4.308 -1.004 -8.123) 9.250 13.838 ( -2.710 -1.985 -10.134) 10.676 13.890 ( 2.194 1.784 -2.174) 3.567 14.013 ( 5.369 -2.818 0.606) 6.093 14.070 ( 0.233 -0.343 -4.982) 4.999 14.130 ( 5.435 -1.227 -10.376) 11.777 14.187 ( -5.427 3.564 -5.860) 8.746 14.309 ( -5.597 -4.064 -0.950) 6.982 14.494 ( 3.978 5.460 -2.487) 7.199 14.525 ( 2.727 2.226 -1.643) 3.885 14.698 ( 0.118 0.857 -3.480) 3.586 14.722 ( -3.041 -6.360 1.096) 7.134 14.884 ( 1.974 0.810 0.499) 2.191 14.947 ( -2.704 5.436 0.794) 6.123 14.963 ( -3.660 2.464 -1.437) 4.640 15.027 ( 1.831 -1.863 1.199) 2.874 15.193 ( -0.166 0.560 -5.675) 5.705 15.204 ( -2.018 -3.137 -3.652) 5.220 15.345 ( -0.031 2.304 0.140) 2.309 15.376 ( 0.805 -2.047 3.698) 4.302 15.505 ( 0.941 -0.689 3.127) 3.337 15.602 ( 1.177 -5.406 -1.273) 5.677 15.689 ( 4.019 4.046 3.756) 6.829 15.875 ( -1.221 1.722 2.839) 3.538 15.951 ( 2.355 5.678 0.326) 6.155 15.993 ( -2.711 -1.631 4.076) 5.160 16.080 ( -5.568 4.151 1.775) 7.168 16.093 ( 0.526 -3.193 -3.301) 4.622 16.209 ( -4.727 -0.077 0.080) 4.729 16.308 ( 0.586 -2.242 0.537) 2.379 16.335 ( -4.323 5.682 1.148) 7.231 16.503 ( -2.071 -3.368 -1.832) 4.357 16.613 ( -0.684 2.515 -3.937) 4.722 16.671 ( 1.123 -0.728 -4.699) 4.886 17.392 ( 4.961 3.917 1.222) 6.438 17.489 ( 2.645 -1.642 1.330) 3.385 17.625 ( -3.892 2.309 -4.569) 6.432 17.662 ( -3.196 0.707 -0.749) 3.358 18.315 ( -3.267 -5.016 3.632) 7.002 18.369 ( -3.644 -7.222 -1.428) 8.214 18.624 ( 2.709 9.084 -4.186) 10.363 18.781 ( 10.742 2.368 -6.345) 12.699 19.109 ( -2.483 2.224 3.138) 4.578 19.271 ( 3.344 -3.652 -1.930) 5.314 19.832 ( -2.483 0.225 2.730) 3.697 19.949 ( -2.170 1.710 5.582) 6.228 20.177 ( 6.101 -8.653 3.357) 11.107 20.319 ( 0.732 -6.379 13.644) 15.080 20.724 ( 2.395 8.505 -9.947) 13.305 20.836 ( -2.133 -0.900 -2.379) 3.320 21.037 ( 0.298 3.840 0.322) 3.865 21.199 ( -0.735 -1.442 -6.821) 7.011 21.331 ( 8.058 3.827 -1.060) 8.983 21.517 ( 0.828 2.211 -1.483) 2.788 21.677 ( 0.945 5.168 2.045) 5.638 21.933 ( 4.459 -3.362 3.046) 6.361 21.989 ( -7.941 -1.161 2.817) 8.506 22.007 ( -3.592 -4.857 -1.071) 6.135 22.556 ( -2.931 9.830 4.021) 11.018 22.861 ( 0.977 -4.448 1.120) 4.690 22.968 ( -0.818 -1.264 -11.070) 11.172 23.037 ( 0.730 -1.823 -6.467) 6.758 24.129 ( -4.063 4.785 -5.630) 8.432 24.233 ( 1.781 0.213 -7.710) 7.916 24.699 ( 4.440 3.093 -0.996) 5.502 24.770 ( 7.564 0.056 -2.773) 8.057 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 4.479 7.626 15.400) 17.759 1.899 ( 13.797 5.384 14.801) 20.938 1.979 ( 3.887 -2.600 7.275) 8.648 2.066 ( 2.154 0.886 1.218) 2.628 2.083 ( 1.667 -1.365 0.165) 2.161 2.135 ( 2.986 0.262 1.196) 3.228 2.193 ( 1.357 -2.064 0.036) 2.471 2.259 ( 0.741 -2.312 -1.435) 2.820 2.300 ( -0.128 0.544 -0.845) 1.013 2.351 ( 1.575 2.117 1.404) 2.989 2.515 ( -0.776 0.873 2.901) 3.127 2.574 ( 0.376 -0.923 1.761) 2.024 2.637 ( -4.732 -0.790 4.215) 6.386 2.814 ( -0.158 -0.354 0.270) 0.472 2.858 ( -4.053 -6.523 1.525) 7.829 2.961 ( 7.331 -4.220 6.047) 10.398 3.154 ( -1.534 2.750 1.119) 3.342 3.231 ( -4.557 5.083 5.721) 8.907 3.318 ( 2.103 -1.933 -6.340) 6.954 3.362 ( -1.576 1.046 6.464) 6.736 3.438 ( -2.750 -3.122 0.516) 4.192 3.521 ( 1.760 5.723 0.412) 6.002 3.538 ( -0.567 -1.965 -0.937) 2.249 3.662 ( 7.994 4.918 0.136) 9.387 3.797 ( 2.587 -8.706 4.991) 10.363 3.910 ( -4.212 -2.481 -2.524) 5.502 4.133 ( 2.268 -0.433 -2.253) 3.226 4.144 ( 1.153 -2.890 5.315) 6.159 4.228 ( 7.918 1.509 10.250) 13.040 4.252 ( 5.946 0.597 -0.717) 6.018 4.313 ( 3.905 -1.729 -1.060) 4.400 4.342 ( 2.203 1.775 2.141) 3.548 4.441 ( -4.629 4.429 3.449) 7.276 4.777 ( -3.812 -7.834 -2.586) 9.088 4.849 ( -6.171 4.947 6.834) 10.453 4.971 ( -8.034 0.714 3.638) 8.848 5.196 ( -0.693 -7.802 -3.345) 8.517 5.293 ( 3.510 -12.623 8.663) 15.707 5.411 ( 8.010 6.959 7.505) 12.997 5.498 ( -6.473 3.573 -3.627) 8.236 5.565 ( -2.443 -1.182 0.530) 2.765 5.625 ( 1.554 -0.698 -0.271) 1.725 5.676 ( 2.235 4.865 -0.185) 5.357 5.780 ( 4.832 1.874 0.869) 5.255 5.955 ( -5.652 -3.566 -0.697) 6.719 5.967 ( 2.750 -1.791 -2.980) 4.433 6.071 ( 0.175 1.032 1.876) 2.148 6.141 ( 1.482 -2.747 -1.367) 3.407 6.236 ( 1.089 4.716 -1.157) 4.977 6.289 ( -1.554 6.288 3.159) 7.206 6.365 ( -1.637 0.341 3.828) 4.177 6.490 ( -0.916 4.545 2.808) 5.421 6.546 ( -5.133 7.240 -7.363) 11.532 6.639 ( -2.670 4.438 3.656) 6.339 6.656 ( -5.154 3.194 -12.711) 14.083 6.861 ( -0.232 3.029 1.733) 3.498 6.907 ( -3.451 -2.267 -1.911) 4.550 6.980 ( -7.447 -2.289 -4.406) 8.951 7.088 ( -5.235 -2.947 4.208) 7.335 7.155 ( -0.840 -3.000 -1.562) 3.485 7.182 ( -4.065 -3.420 1.349) 5.481 7.249 ( -1.202 2.105 -0.676) 2.517 7.319 ( -7.298 0.001 -1.518) 7.454 7.326 ( -5.925 -0.332 -1.428) 6.104 7.395 ( 1.542 -1.166 -0.030) 1.933 7.429 ( -2.790 -0.401 -8.605) 9.055 7.510 ( 2.421 0.114 -4.293) 4.930 7.548 ( -0.322 -1.048 -3.027) 3.219 7.609 ( -3.898 -0.152 -2.139) 4.448 7.716 ( -9.365 1.415 1.330) 9.564 7.796 ( -2.858 -7.205 -7.554) 10.824 7.952 ( -2.831 -7.380 -2.784) 8.380 8.095 ( 3.656 -1.550 -3.496) 5.291 8.164 ( -3.495 -1.121 -0.373) 3.690 8.227 ( 0.324 -0.769 -5.181) 5.248 8.232 ( 5.629 1.037 -1.749) 5.985 8.383 ( 6.712 -3.921 -0.246) 7.777 8.474 ( 7.498 -2.940 0.355) 8.061 8.513 ( -0.343 5.967 1.178) 6.092 8.667 ( -1.144 0.808 -0.335) 1.440 8.692 ( 1.275 2.644 -0.069) 2.936 8.743 ( 2.313 4.075 1.550) 4.936 8.884 ( 1.996 0.367 2.179) 2.977 8.924 ( 3.361 2.125 3.102) 5.044 8.979 ( -1.898 3.521 -0.140) 4.003 9.082 ( 9.594 -2.176 -0.662) 9.860 9.157 ( 0.562 -3.769 -3.124) 4.927 9.177 ( -1.426 -1.945 -4.819) 5.388 9.265 ( 5.585 -0.000 -4.307) 7.053 9.292 ( 5.491 -0.224 -8.543) 10.158 9.556 ( -7.234 0.030 -0.980) 7.300 9.652 ( -0.213 -4.104 6.430) 7.631 9.818 ( -1.808 1.005 -7.860) 8.127 9.861 ( -9.100 2.155 -2.420) 9.660 9.894 ( -2.687 4.576 2.922) 6.058 10.056 ( -8.064 -1.857 8.342) 11.750 10.078 ( 3.676 1.550 -3.149) 5.082 10.382 ( 4.216 0.999 0.051) 4.333 10.425 ( 8.519 -5.012 6.386) 11.767 10.500 ( -1.529 -0.764 1.524) 2.290 10.580 ( 3.763 3.235 10.026) 11.187 10.674 ( -2.730 4.020 7.742) 9.140 10.720 ( 2.500 1.180 0.937) 2.919 10.808 ( -1.323 -2.164 -4.259) 4.958 10.834 ( 6.854 -2.733 0.251) 7.383 10.880 ( 1.179 5.521 2.941) 6.365 10.883 ( -5.642 3.245 -0.646) 6.540 10.954 ( 6.723 -4.095 -3.235) 8.511 11.143 ( -1.142 3.204 4.592) 5.715 11.287 ( -1.014 1.066 8.688) 8.812 11.304 ( -2.945 2.897 -0.596) 4.174 11.410 ( -1.531 2.110 4.853) 5.509 11.484 ( 2.011 -1.060 6.589) 6.970 11.551 ( -4.239 -2.843 -3.776) 6.349 11.636 ( 5.805 -0.255 1.684) 6.050 11.705 ( 0.744 4.397 -6.577) 7.946 11.813 ( -1.020 -5.620 2.308) 6.160 11.898 ( -6.706 0.531 8.187) 10.596 11.959 ( 1.062 -1.023 1.403) 2.036 12.031 ( 0.345 -1.864 -1.867) 2.661 12.079 ( -2.300 -3.508 -0.554) 4.231 12.153 ( 1.681 1.471 3.905) 4.499 12.261 ( -0.619 2.422 3.116) 3.995 12.350 ( 2.689 1.370 4.201) 5.172 12.396 ( -1.596 -1.414 -0.576) 2.209 12.489 ( 2.927 -1.836 7.622) 8.369 12.543 ( -4.010 -0.444 -0.402) 4.055 12.619 ( -11.382 1.919 7.290) 13.652 12.684 ( 6.762 -2.519 2.357) 7.591 12.780 ( 3.589 0.202 1.017) 3.735 12.917 ( 6.338 -3.181 6.679) 9.742 12.959 ( -9.412 -7.340 -0.397) 11.942 13.129 ( 4.205 1.473 1.147) 4.601 13.209 ( 2.425 -0.438 1.527) 2.899 13.298 ( -8.473 -1.822 -11.498) 14.399 13.334 ( -3.890 -1.995 -9.826) 10.755 13.538 ( -0.574 -1.192 -2.361) 2.706 13.585 ( -7.569 -0.035 -8.578) 11.440 13.637 ( -2.267 0.811 -7.582) 7.955 13.737 ( -2.509 1.099 -5.865) 6.474 13.976 ( 9.195 -1.752 -1.516) 9.483 13.998 ( -1.963 4.689 -3.272) 6.045 14.016 ( 4.766 0.153 -7.615) 8.985 14.128 ( 0.237 -1.187 -3.781) 3.970 14.200 ( 6.018 1.296 9.012) 10.914 14.270 ( 4.523 -0.889 -0.342) 4.622 14.458 ( -3.088 2.544 -5.334) 6.668 14.530 ( 3.465 3.674 -2.871) 5.809 14.647 ( -5.039 -7.172 0.209) 8.768 14.746 ( 1.185 -3.188 2.092) 3.993 14.816 ( -6.824 5.948 -1.527) 9.180 14.951 ( 3.381 -1.651 1.590) 4.085 15.005 ( 4.495 4.585 1.655) 6.631 15.096 ( -3.573 -2.955 -2.830) 5.432 15.119 ( 3.570 -6.306 2.970) 7.832 15.143 ( 4.634 3.719 -4.960) 7.740 15.348 ( -1.836 -3.755 2.738) 4.997 15.372 ( -2.451 -3.496 -0.992) 4.383 15.573 ( 0.657 -1.612 2.566) 3.101 15.622 ( 1.980 -2.605 -0.633) 3.332 15.788 ( 0.170 3.937 3.675) 5.388 15.826 ( -4.224 6.683 -1.838) 8.117 15.967 ( -5.515 2.522 -1.452) 6.236 15.979 ( -0.633 -1.277 3.384) 3.672 16.040 ( 3.795 8.342 4.057) 10.022 16.102 ( 2.103 0.796 -0.557) 2.317 16.184 ( -3.432 -0.317 3.033) 4.591 16.293 ( 0.038 -2.115 2.374) 3.180 16.352 ( 0.442 0.313 0.987) 1.126 16.439 ( -1.311 -1.965 -3.939) 4.593 16.566 ( -2.397 1.029 -1.186) 2.865 16.618 ( -1.529 -0.143 -3.000) 3.370 17.457 ( -1.968 1.749 -3.004) 3.995 17.531 ( 2.472 3.926 -0.615) 4.680 17.584 ( 1.173 -2.067 -2.234) 3.261 17.665 ( 9.569 -1.849 4.057) 10.556 18.288 ( -4.156 -4.510 -0.111) 6.134 18.307 ( -3.936 -4.826 2.422) 6.682 18.618 ( 1.769 8.402 -2.368) 8.906 18.832 ( 7.758 -1.563 -7.846) 11.144 19.120 ( 0.131 4.670 1.457) 4.894 19.331 ( 7.014 -3.964 -2.333) 8.388 19.815 ( -4.886 0.310 4.140) 6.412 19.952 ( -3.533 -3.132 1.772) 5.043 20.221 ( -5.154 3.831 1.562) 6.609 20.477 ( -2.440 -5.616 10.975) 12.568 20.684 ( 7.823 2.948 -7.250) 11.066 20.752 ( -2.024 -0.350 -5.144) 5.539 21.056 ( 0.617 2.214 0.599) 2.375 21.122 ( 0.903 0.559 -3.984) 4.123 21.392 ( -1.271 -2.011 -2.990) 3.821 21.448 ( -2.990 -3.272 -1.116) 4.571 21.679 ( -4.132 5.345 0.346) 6.765 21.843 ( -6.161 -1.705 -0.016) 6.393 21.989 ( 7.304 3.785 -1.220) 8.317 22.161 ( 9.100 -2.989 5.326) 10.959 22.587 ( -3.170 5.646 4.768) 8.042 22.768 ( -3.461 3.084 -8.670) 9.832 22.847 ( -3.392 -3.246 0.231) 4.701 23.069 ( 7.768 -6.018 -2.626) 10.171 24.067 ( 0.331 3.179 -0.829) 3.302 24.204 ( 4.517 -2.910 -4.720) 7.152 24.691 ( -1.792 3.688 -2.705) 4.913 24.786 ( 1.344 -0.918 -5.040) 5.296 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 4.341 2.554 6.673) 8.361 2.055 ( 5.720 0.617 -4.680) 7.416 2.080 ( -0.375 -1.851 0.963) 2.120 2.118 ( 7.884 2.294 -5.791) 10.048 2.151 ( 5.880 -2.486 0.279) 6.390 2.194 ( 4.024 -1.472 -1.966) 4.714 2.262 ( 2.806 0.764 5.507) 6.228 2.303 ( 1.833 0.445 -3.155) 3.676 2.320 ( 3.903 -4.057 3.123) 6.438 2.399 ( 0.892 0.695 4.471) 4.612 2.535 ( -0.353 5.833 0.777) 5.895 2.593 ( 0.007 2.173 1.837) 2.845 2.699 ( 3.782 1.366 5.966) 7.195 2.846 ( 6.098 5.339 2.874) 8.600 2.967 ( 2.342 -6.280 9.998) 12.037 3.118 ( -3.151 4.452 -1.532) 5.666 3.139 ( 2.439 -2.906 4.520) 5.901 3.249 ( -1.101 4.208 -0.150) 4.352 3.302 ( -1.077 -1.867 7.065) 7.387 3.420 ( 0.684 -3.961 2.064) 4.518 3.466 ( 3.132 0.498 2.947) 4.329 3.532 ( 0.812 -2.850 4.321) 5.239 3.616 ( 7.293 -2.174 3.701) 8.462 3.804 ( -2.471 -7.054 -2.509) 7.884 3.830 ( 12.461 2.384 1.049) 12.730 3.923 ( 2.855 -3.527 1.194) 4.692 4.115 ( 5.831 2.611 -2.830) 6.987 4.159 ( 3.361 1.311 -7.460) 8.287 4.210 ( -3.692 4.411 -4.832) 7.513 4.255 ( -4.835 2.417 -2.289) 5.870 4.317 ( -0.327 -2.526 3.254) 4.132 4.374 ( 2.677 -2.713 5.324) 6.548 4.551 ( -5.133 0.315 -5.171) 7.292 4.707 ( -6.102 -8.653 7.604) 13.036 4.938 ( -0.666 -0.156 5.280) 5.324 5.060 ( 1.604 -4.452 4.238) 6.352 5.162 ( 5.767 6.362 11.899) 14.674 5.310 ( -4.314 2.953 -8.928) 10.346 5.417 ( 2.021 -0.873 -3.403) 4.053 5.446 ( -0.371 -3.123 -2.040) 3.749 5.594 ( -2.905 0.771 -5.131) 5.946 5.605 ( 5.024 3.018 3.279) 6.716 5.704 ( -3.795 2.849 1.650) 5.023 5.792 ( -4.321 -1.362 -2.333) 5.096 5.837 ( -2.224 2.096 1.058) 3.234 5.927 ( -6.499 -2.370 -3.926) 7.954 6.072 ( -2.957 6.483 1.572) 7.297 6.133 ( 1.615 2.905 -5.139) 6.120 6.180 ( -3.234 2.296 -2.671) 4.782 6.238 ( 2.843 2.000 -3.217) 4.736 6.297 ( -1.864 0.772 9.124) 9.344 6.384 ( -5.405 2.639 -1.020) 6.101 6.516 ( -1.152 1.960 -4.208) 4.782 6.634 ( -2.008 -1.099 5.710) 6.151 6.711 ( 0.425 -4.414 -4.899) 6.608 6.768 ( -1.966 -1.360 -2.065) 3.159 6.835 ( -4.999 1.603 -0.304) 5.258 6.941 ( -5.293 -3.258 4.737) 7.815 7.003 ( -12.841 -6.347 -1.468) 14.399 7.069 ( -9.296 -7.647 -1.572) 12.140 7.092 ( -3.887 3.349 5.164) 7.279 7.206 ( 0.210 1.444 -0.360) 1.503 7.216 ( -0.919 -0.472 -1.870) 2.137 7.274 ( -0.922 2.669 1.363) 3.136 7.348 ( -1.190 3.791 0.045) 3.974 7.412 ( -1.640 0.328 0.389) 1.718 7.487 ( 4.609 -0.290 -3.975) 6.094 7.592 ( 2.448 -3.072 0.402) 3.948 7.602 ( 2.341 0.533 4.554) 5.148 7.677 ( -2.161 -5.030 -3.412) 6.451 7.783 ( 2.877 3.465 10.395) 11.329 7.886 ( -2.120 -2.848 0.759) 3.631 8.011 ( -7.397 -2.888 2.941) 8.468 8.091 ( -0.932 -1.424 -4.389) 4.708 8.253 ( -1.485 5.098 -4.300) 6.832 8.295 ( 4.770 3.175 0.506) 5.752 8.475 ( -6.214 -1.109 -0.698) 6.351 8.498 ( -1.446 -4.060 -1.441) 4.544 8.555 ( 0.344 1.488 0.362) 1.569 8.568 ( -4.671 -0.091 -4.942) 6.801 8.644 ( 4.278 -2.371 -2.538) 5.510 8.713 ( -7.024 -3.567 -7.476) 10.860 8.812 ( 0.650 5.033 -3.744) 6.306 8.944 ( -0.570 4.717 3.835) 6.106 9.040 ( 0.605 -2.436 -2.943) 3.868 9.078 ( 3.295 -3.236 -7.031) 8.412 9.157 ( 4.661 0.486 -2.000) 5.095 9.218 ( 9.643 -0.891 -0.289) 9.689 9.291 ( 4.131 -0.864 1.720) 4.557 9.364 ( 9.836 -1.359 -2.011) 10.131 9.442 ( -1.867 -0.107 0.177) 1.879 9.617 ( -3.939 -4.422 -2.148) 6.300 9.777 ( -3.384 4.897 4.660) 7.559 9.831 ( -3.941 2.199 6.742) 8.113 9.857 ( -2.224 5.696 -0.835) 6.172 10.028 ( -5.301 -2.202 6.700) 8.823 10.110 ( 4.598 1.565 -4.539) 6.648 10.346 ( -7.728 -5.344 -4.039) 10.228 10.443 ( -1.522 3.100 -3.368) 4.824 10.519 ( -0.441 6.147 -3.582) 7.128 10.584 ( -6.000 -1.086 -3.988) 7.286 10.658 ( -2.222 3.150 -3.576) 5.258 10.743 ( 11.769 -4.777 -5.061) 13.673 10.786 ( -1.087 4.608 8.601) 9.818 10.883 ( -1.910 -0.407 6.427) 6.717 10.965 ( 4.092 -0.092 4.683) 6.220 11.019 ( 7.345 0.784 3.678) 8.252 11.070 ( 8.734 -1.255 -2.991) 9.317 11.154 ( 0.182 0.158 -1.568) 1.587 11.241 ( 1.804 0.109 -3.787) 4.196 11.346 ( -0.158 -0.389 2.863) 2.894 11.381 ( -4.810 -2.759 -4.696) 7.267 11.486 ( -3.261 1.249 -2.080) 4.065 11.546 ( -1.313 0.332 3.842) 4.074 11.639 ( -1.712 4.969 -1.177) 5.386 11.713 ( 4.209 -0.230 -0.536) 4.249 11.806 ( 0.043 -1.399 -2.222) 2.626 11.909 ( -2.920 2.842 0.553) 4.112 11.962 ( -3.279 -0.523 2.901) 4.409 11.981 ( -1.205 -2.594 -0.302) 2.876 12.114 ( 1.840 -1.279 2.320) 3.225 12.188 ( -3.045 1.672 -6.481) 7.353 12.243 ( 3.418 -3.363 1.546) 5.038 12.346 ( -1.834 2.324 -0.494) 3.002 12.398 ( 0.617 -0.664 -0.591) 1.082 12.516 ( -4.498 -0.525 3.324) 5.618 12.534 ( -6.225 -1.197 2.608) 6.855 12.613 ( -4.197 -8.954 3.749) 10.576 12.737 ( -3.554 -0.245 -2.217) 4.196 12.859 ( 8.730 2.038 7.129) 11.454 12.901 ( -2.001 2.151 2.008) 3.559 13.035 ( -1.637 -4.168 -9.203) 10.235 13.103 ( 2.786 -4.545 4.641) 7.068 13.138 ( -0.326 -3.044 -3.953) 5.000 13.292 ( 3.101 2.320 -0.536) 3.909 13.339 ( 2.401 0.644 5.596) 6.123 13.421 ( -0.028 3.708 2.059) 4.242 13.492 ( -2.877 -1.938 1.411) 3.745 13.568 ( -7.762 4.180 -2.466) 9.154 13.615 ( 1.071 1.843 1.654) 2.698 13.950 ( 0.969 3.391 -4.055) 5.374 14.000 ( 3.152 -0.641 -5.506) 6.377 14.048 ( 3.041 -2.049 -3.137) 4.825 14.130 ( 7.189 -4.038 -0.388) 8.255 14.310 ( -2.782 1.423 -3.997) 5.073 14.343 ( 2.619 3.197 -0.047) 4.133 14.465 ( 6.740 0.098 9.982) 12.045 14.536 ( 1.628 4.788 -3.005) 5.883 14.604 ( -0.994 -5.878 -1.623) 6.179 14.663 ( -6.132 4.215 4.622) 8.760 14.818 ( 0.289 -3.663 -0.710) 3.743 14.957 ( -1.445 -4.497 -2.126) 5.180 15.060 ( -0.420 -0.979 3.101) 3.279 15.114 ( 1.199 3.533 1.947) 4.209 15.159 ( 3.377 1.688 0.146) 3.778 15.209 ( 2.861 -2.303 -0.919) 3.786 15.341 ( 5.037 -0.434 0.335) 5.067 15.379 ( -2.126 -9.406 2.331) 9.921 15.522 ( -3.240 -0.800 -3.819) 5.072 15.638 ( 1.158 -2.694 -1.865) 3.475 15.699 ( -4.867 5.221 -0.935) 7.198 15.843 ( -4.286 0.849 -0.023) 4.369 15.953 ( 3.696 4.478 5.282) 7.849 15.992 ( -0.710 6.770 -0.196) 6.810 16.092 ( -0.977 2.281 -1.076) 2.705 16.183 ( 0.598 -1.063 4.857) 5.007 16.196 ( 1.937 0.783 4.649) 5.097 16.323 ( -3.067 -0.519 -2.580) 4.041 16.340 ( 0.741 -3.072 -0.691) 3.235 16.399 ( 0.712 -1.715 0.296) 1.880 16.520 ( -0.982 0.265 0.898) 1.357 16.579 ( -0.871 -0.052 0.484) 0.997 17.378 ( 0.412 3.304 -3.434) 4.783 17.500 ( -0.543 -2.392 -3.612) 4.366 17.666 ( 6.492 6.261 2.276) 9.302 17.896 ( 10.265 -4.874 5.442) 12.599 18.239 ( -2.535 -1.875 0.886) 3.275 18.291 ( -3.095 -3.727 3.542) 6.001 18.610 ( 0.146 6.174 -1.229) 6.297 18.813 ( 3.740 -3.740 -8.395) 9.922 19.147 ( 2.216 6.821 0.036) 7.172 19.395 ( 5.844 -2.252 -2.559) 6.765 19.799 ( -5.617 2.399 4.650) 7.677 19.909 ( -3.234 -4.397 0.957) 5.542 20.129 ( -6.064 5.352 0.379) 8.097 20.470 ( -7.280 -9.398 0.314) 11.892 20.672 ( -1.406 2.487 -0.467) 2.895 20.758 ( 7.534 -2.314 -3.308) 8.548 21.063 ( 0.382 0.964 0.758) 1.284 21.142 ( 2.741 0.475 1.295) 3.069 21.266 ( -4.243 1.316 -5.188) 6.831 21.387 ( -6.262 -1.280 0.019) 6.392 21.600 ( -3.807 5.193 -2.001) 6.743 21.822 ( 2.502 -5.823 -0.746) 6.381 22.109 ( 7.147 8.156 0.277) 10.848 22.314 ( 2.284 -2.350 3.405) 4.726 22.539 ( -4.553 -0.364 0.473) 4.592 22.692 ( -3.425 -1.328 4.624) 5.905 22.850 ( 2.686 4.628 -1.254) 5.496 23.145 ( 6.250 -4.916 -1.953) 8.188 24.101 ( 2.921 2.345 1.937) 4.217 24.243 ( 6.272 -4.105 -1.914) 7.737 24.599 ( -4.585 3.706 -3.348) 6.780 24.705 ( -2.984 -1.453 -5.014) 6.013 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.075 -0.425 -6.410) 6.514 2.049 ( -0.940 -0.783 -2.036) 2.375 2.091 ( 4.965 1.132 -3.116) 5.970 2.140 ( 4.673 -0.688 -5.772) 7.458 2.189 ( 6.401 2.377 -5.232) 8.602 2.216 ( 2.001 3.352 -4.419) 5.897 2.288 ( 4.196 0.628 -1.987) 4.685 2.363 ( 2.756 -2.307 2.372) 4.307 2.403 ( -2.032 0.287 2.060) 2.908 2.457 ( 2.444 -5.718 2.242) 6.611 2.538 ( -0.127 2.346 2.561) 3.476 2.630 ( 0.550 -0.979 3.979) 4.134 2.836 ( 0.614 9.492 2.608) 9.863 2.903 ( -4.920 2.942 3.403) 6.667 3.040 ( 0.446 3.059 -3.929) 5.000 3.069 ( -6.506 0.995 -3.349) 7.385 3.108 ( 0.560 -1.595 3.848) 4.203 3.218 ( -5.381 2.208 1.619) 6.038 3.413 ( 4.577 -4.615 2.843) 7.094 3.505 ( 3.037 0.627 8.664) 9.202 3.562 ( 5.660 1.867 2.563) 6.488 3.706 ( 3.236 -11.224 0.948) 11.720 3.719 ( -2.635 -0.800 0.981) 2.923 3.734 ( 0.484 -4.122 -1.805) 4.526 3.903 ( -4.450 -2.363 -3.602) 6.194 3.923 ( 3.134 -1.109 -2.926) 4.429 4.055 ( 5.251 2.606 -0.483) 5.882 4.146 ( -2.750 -0.013 -4.780) 5.515 4.192 ( 1.013 -0.759 -6.704) 6.822 4.265 ( 6.536 0.933 0.027) 6.602 4.319 ( 3.435 3.871 1.939) 5.526 4.441 ( 5.485 -2.507 7.171) 9.370 4.593 ( 3.527 1.220 12.814) 13.346 4.782 ( -5.637 -6.658 19.454) 21.320 4.973 ( -3.311 1.762 3.154) 4.901 5.037 ( 1.180 -2.073 1.295) 2.714 5.164 ( 2.476 4.725 -12.347) 13.450 5.325 ( 1.326 -4.657 -6.207) 7.872 5.351 ( -0.041 4.523 4.620) 6.465 5.461 ( -1.427 1.070 -2.125) 2.774 5.541 ( 4.797 1.112 0.367) 4.938 5.645 ( -2.270 -2.419 0.513) 3.357 5.682 ( -2.263 1.367 -0.445) 2.681 5.740 ( 3.940 1.393 0.602) 4.223 5.832 ( -0.784 2.542 -1.163) 2.903 5.918 ( 2.727 -1.478 3.576) 4.734 6.002 ( -7.408 6.588 2.579) 10.243 6.086 ( 6.135 4.542 -9.128) 11.899 6.144 ( -3.631 5.449 3.780) 7.561 6.229 ( 4.577 -0.360 -5.523) 7.182 6.322 ( -4.058 -3.943 -2.014) 6.006 6.375 ( -0.965 -1.629 -2.408) 3.063 6.482 ( -1.561 -0.848 4.113) 4.480 6.573 ( -2.484 -2.782 -1.491) 4.017 6.655 ( -6.463 -0.502 -0.724) 6.523 6.702 ( -9.074 -0.430 -1.482) 9.204 6.802 ( -3.504 -8.214 -1.537) 9.061 6.864 ( -7.154 -6.704 2.898) 10.223 6.934 ( -1.756 -3.273 1.428) 3.979 6.966 ( 0.987 -0.502 3.990) 4.141 7.063 ( -4.408 -0.893 6.856) 8.199 7.104 ( -6.866 0.438 -0.588) 6.905 7.247 ( 0.999 5.146 -2.620) 5.860 7.272 ( -1.020 4.900 -3.164) 5.921 7.348 ( 1.773 5.151 4.424) 7.018 7.415 ( -6.096 0.213 -0.652) 6.135 7.525 ( -0.999 2.119 2.216) 3.225 7.568 ( -3.275 -4.168 -0.962) 5.387 7.633 ( 1.486 -3.000 -5.501) 6.440 7.649 ( -0.239 3.722 3.880) 5.382 7.850 ( -5.489 1.831 9.016) 10.714 7.954 ( -1.942 -3.041 1.305) 3.837 8.036 ( 2.291 -2.869 3.782) 5.271 8.046 ( -1.099 -3.078 1.572) 3.627 8.111 ( -4.108 3.815 -5.449) 7.818 8.230 ( -4.046 0.371 -0.135) 4.066 8.379 ( -2.264 2.904 -1.407) 3.942 8.418 ( -1.896 -1.779 -3.919) 4.703 8.492 ( 0.599 1.386 -1.579) 2.185 8.523 ( 2.684 0.864 1.961) 3.435 8.653 ( 3.115 -3.300 -3.181) 5.542 8.690 ( 2.249 -0.658 1.507) 2.786 8.815 ( 2.032 5.338 -0.216) 5.716 9.018 ( 2.506 -0.473 -2.451) 3.537 9.058 ( 3.176 -1.998 2.079) 4.290 9.118 ( 3.769 0.877 5.510) 6.733 9.171 ( 3.342 2.460 -1.530) 4.423 9.251 ( 0.905 -2.079 -2.307) 3.235 9.375 ( -4.773 -2.001 -2.279) 5.655 9.420 ( 0.055 -6.727 0.941) 6.793 9.526 ( 7.787 -2.997 -0.533) 8.361 9.607 ( 4.897 -4.421 0.983) 6.670 9.772 ( 1.999 4.567 -0.134) 4.987 9.777 ( -2.884 5.147 3.489) 6.854 9.930 ( 0.492 8.361 7.614) 11.319 10.044 ( -4.725 -0.695 5.411) 7.217 10.105 ( -4.039 -3.494 -5.655) 7.779 10.180 ( -0.620 0.422 0.720) 1.039 10.351 ( -1.018 3.834 -6.258) 7.409 10.473 ( -1.470 1.036 -5.604) 5.885 10.527 ( 7.694 1.791 -5.727) 9.757 10.605 ( 1.929 5.752 -2.418) 6.531 10.743 ( 0.771 -1.695 -8.160) 8.370 10.824 ( -1.681 0.980 -6.220) 6.517 10.929 ( 0.002 -5.766 1.973) 6.094 11.006 ( -3.736 -3.297 -1.960) 5.354 11.031 ( 0.819 0.388 -4.742) 4.828 11.125 ( -0.120 -2.530 -0.430) 2.569 11.153 ( 4.467 1.869 -0.289) 4.851 11.226 ( 3.641 -5.959 -6.448) 9.504 11.327 ( 0.824 0.692 -2.808) 3.007 11.373 ( 0.198 -0.051 -5.631) 5.635 11.468 ( 5.749 0.515 6.162) 8.443 11.531 ( -2.968 0.870 2.693) 4.101 11.587 ( -2.921 5.421 0.327) 6.167 11.721 ( -4.084 -1.176 -0.853) 4.335 11.754 ( 4.485 1.296 -8.915) 10.063 11.862 ( -2.646 -0.211 -6.041) 6.598 11.883 ( -1.843 2.399 -6.285) 6.976 11.937 ( -5.525 -0.291 0.131) 5.534 12.096 ( -2.331 -0.730 -0.324) 2.464 12.162 ( -0.303 -3.940 -1.231) 4.139 12.263 ( -6.804 -0.322 -3.271) 7.556 12.324 ( 0.652 2.050 -2.842) 3.564 12.352 ( -0.997 1.871 1.160) 2.416 12.404 ( -2.524 -5.470 1.528) 6.215 12.525 ( -4.131 -1.116 7.745) 8.849 12.622 ( -3.666 1.593 -0.244) 4.004 12.677 ( -0.728 -1.734 -4.879) 5.229 12.813 ( 0.174 -5.157 -12.574) 13.591 12.960 ( 1.312 2.126 7.993) 8.374 13.037 ( 0.877 1.695 7.557) 7.794 13.134 ( 2.050 1.779 -0.637) 2.788 13.196 ( -4.371 1.410 -2.459) 5.210 13.229 ( 2.479 -3.236 -0.555) 4.114 13.399 ( -3.333 -2.998 -1.013) 4.597 13.469 ( 0.297 4.543 6.745) 8.138 13.545 ( 5.065 4.134 4.662) 8.030 13.594 ( -0.282 -0.623 8.607) 8.634 13.726 ( 1.822 -3.134 10.845) 11.435 13.935 ( 2.788 2.434 -2.574) 4.508 13.971 ( 1.930 -0.565 -1.154) 2.319 14.065 ( 1.809 1.446 0.113) 2.318 14.231 ( -0.251 4.658 -1.139) 4.801 14.267 ( 5.523 -3.780 2.145) 7.028 14.416 ( 5.994 0.142 1.258) 6.127 14.465 ( -2.184 2.965 -5.005) 6.214 14.570 ( -1.188 2.365 2.931) 3.949 14.654 ( 3.276 -2.582 4.377) 6.046 14.724 ( -0.307 -2.914 2.756) 4.022 14.785 ( 0.072 -1.385 0.268) 1.412 14.909 ( -2.289 -0.869 1.238) 2.744 15.010 ( -7.233 -4.076 -1.890) 8.515 15.124 ( -2.251 -4.044 4.657) 6.566 15.203 ( 1.955 0.076 0.281) 1.976 15.288 ( 6.293 3.335 -0.349) 7.131 15.333 ( -0.544 -6.205 -2.641) 6.766 15.430 ( 3.765 -2.423 -2.787) 5.274 15.455 ( -0.265 3.218 -2.421) 4.035 15.612 ( -1.257 -1.720 -1.909) 2.860 15.635 ( -3.075 5.324 -1.228) 6.270 15.750 ( -4.886 0.579 -2.450) 5.496 15.967 ( -0.887 5.087 -1.656) 5.422 16.033 ( -2.391 -3.316 -3.032) 5.090 16.070 ( -0.196 3.234 -0.323) 3.256 16.190 ( -0.330 -0.240 -1.014) 1.093 16.209 ( -0.576 1.871 3.981) 4.436 16.298 ( -0.620 3.336 5.294) 6.288 16.351 ( -0.358 -2.953 0.645) 3.044 16.462 ( 3.181 -3.988 2.485) 5.674 16.551 ( 0.667 0.230 4.137) 4.197 16.605 ( 0.998 -1.493 0.843) 1.984 17.413 ( 4.031 2.362 3.106) 5.610 17.484 ( 1.504 -1.432 0.909) 2.267 17.759 ( 3.554 7.867 -0.598) 8.653 18.046 ( 4.160 -5.788 -0.347) 7.136 18.237 ( -1.135 -0.169 3.044) 3.254 18.308 ( -1.244 -3.009 4.397) 5.471 18.599 ( -0.450 3.973 0.517) 4.032 18.748 ( 2.288 -3.490 -8.210) 9.209 19.195 ( 3.310 7.222 1.668) 8.118 19.463 ( 5.697 -0.985 1.017) 5.870 19.765 ( -4.563 3.672 4.022) 7.105 19.888 ( -2.702 -0.047 1.177) 2.948 20.089 ( -2.080 0.316 1.639) 2.668 20.364 ( -3.235 -11.895 -0.903) 12.360 20.664 ( -2.506 4.417 2.870) 5.833 20.821 ( 5.365 -4.619 -1.392) 7.215 21.083 ( -0.659 2.629 0.952) 2.873 21.185 ( 0.126 0.009 0.261) 0.290 21.215 ( 2.356 0.372 3.261) 4.040 21.297 ( -4.933 -0.763 -0.188) 4.995 21.541 ( 1.045 7.298 -3.673) 8.237 21.844 ( 1.430 -8.841 -1.116) 9.025 22.172 ( 1.199 8.336 -0.091) 8.423 22.294 ( -4.456 -0.345 -1.913) 4.862 22.528 ( -2.352 -1.292 3.178) 4.159 22.740 ( -1.368 -5.019 7.295) 8.960 22.851 ( 1.501 10.150 -3.433) 10.819 23.208 ( 5.626 -5.255 -1.839) 7.915 24.177 ( 1.713 2.199 2.827) 3.970 24.328 ( 5.147 -4.915 0.638) 7.145 24.512 ( -0.946 2.991 -1.932) 3.684 24.597 ( -2.703 -1.298 -3.900) 4.919 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -2.067 2.342 -10.052) 10.526 1.982 ( -2.831 0.870 -5.694) 6.418 2.107 ( 1.115 0.240 -2.158) 2.441 2.126 ( 2.283 0.580 -4.905) 5.441 2.161 ( 2.286 3.887 -5.260) 6.928 2.193 ( -1.677 4.103 -5.814) 7.311 2.313 ( 1.175 1.236 -1.179) 2.074 2.387 ( -1.221 0.017 0.599) 1.360 2.416 ( 5.839 2.243 -1.220) 6.373 2.490 ( 0.505 -2.947 -0.916) 3.127 2.592 ( -0.357 -1.480 5.526) 5.732 2.673 ( -0.497 -2.443 2.805) 3.753 2.735 ( -7.779 2.477 -0.516) 8.180 2.864 ( -7.296 -2.471 -5.433) 9.427 2.922 ( -3.814 6.101 5.113) 8.827 3.031 ( 2.596 3.975 -7.636) 8.991 3.146 ( 2.363 -0.577 -0.226) 2.443 3.176 ( -7.434 -3.353 7.355) 10.982 3.408 ( -5.882 0.856 -1.491) 6.128 3.465 ( -13.773 4.466 -3.598) 14.919 3.527 ( -8.212 -1.710 -7.323) 11.136 3.657 ( 1.126 -4.749 -4.008) 6.315 3.703 ( -5.484 -1.003 -2.652) 6.173 3.712 ( 4.635 1.059 1.961) 5.143 3.861 ( 1.862 -6.672 1.865) 7.173 3.921 ( 2.581 -7.303 -4.684) 9.052 4.116 ( -4.142 2.416 -6.109) 7.766 4.172 ( 4.511 -0.606 -0.867) 4.634 4.215 ( 12.460 0.889 3.027) 12.853 4.298 ( 6.216 1.195 1.195) 6.441 4.468 ( 8.640 5.385 3.083) 10.638 4.684 ( 7.105 -5.535 6.739) 11.248 4.860 ( -3.947 0.483 12.054) 12.693 4.909 ( 4.471 -1.101 15.368) 16.043 4.988 ( -3.250 3.504 10.014) 11.096 5.115 ( 7.867 1.456 -2.074) 8.265 5.200 ( 2.014 -1.376 15.012) 15.209 5.304 ( -3.977 -1.534 -2.233) 4.812 5.395 ( 5.263 -4.724 0.517) 7.091 5.416 ( -1.872 -4.053 -2.205) 4.980 5.546 ( -8.616 0.533 -0.863) 8.676 5.629 ( -1.369 -1.380 -1.926) 2.736 5.662 ( 3.895 -5.058 -4.054) 7.562 5.747 ( -6.982 2.303 -3.455) 8.123 5.817 ( 4.046 5.958 2.240) 7.542 5.925 ( -5.557 1.161 5.514) 7.914 5.991 ( -2.991 1.119 0.411) 3.220 6.055 ( 1.125 1.964 0.670) 2.361 6.152 ( -1.508 9.181 2.510) 9.637 6.195 ( 1.540 0.567 -5.484) 5.724 6.269 ( -6.588 -3.125 -2.012) 7.564 6.373 ( 6.619 -0.699 -3.248) 7.406 6.463 ( 4.560 1.732 3.266) 5.870 6.496 ( -2.827 -1.003 -6.249) 6.932 6.578 ( 2.649 -1.458 0.702) 3.105 6.652 ( -1.456 2.867 6.785) 7.509 6.767 ( 0.466 -8.168 3.075) 8.740 6.860 ( -2.445 -2.474 5.513) 6.518 6.910 ( 0.291 0.824 -2.465) 2.616 6.975 ( 0.265 -2.965 2.269) 3.743 7.019 ( -8.831 0.138 -5.535) 10.423 7.102 ( -4.242 2.490 7.006) 8.560 7.152 ( -2.282 7.949 3.610) 9.024 7.275 ( -1.224 3.100 4.120) 5.299 7.311 ( -4.658 2.060 3.425) 6.137 7.369 ( -1.674 -2.558 -0.550) 3.106 7.524 ( -2.829 -7.162 0.910) 7.754 7.551 ( 0.734 -3.283 3.404) 4.785 7.640 ( 5.492 -2.275 -1.143) 6.053 7.766 ( 3.030 0.639 2.828) 4.194 7.825 ( -4.319 0.592 2.618) 5.085 7.924 ( -0.449 -3.675 -1.028) 3.842 8.005 ( -3.972 1.424 -0.784) 4.292 8.055 ( -0.022 1.203 -0.929) 1.520 8.130 ( -1.448 1.640 1.435) 2.617 8.243 ( 4.980 0.569 2.362) 5.542 8.361 ( 6.499 2.265 -2.944) 7.485 8.410 ( 3.909 3.600 -3.873) 6.576 8.527 ( 0.905 3.296 0.942) 3.545 8.632 ( 1.764 -2.599 -1.782) 3.611 8.692 ( 5.173 -1.181 9.113) 10.546 8.725 ( 1.045 -2.217 -0.378) 2.480 8.824 ( 0.455 3.915 -2.493) 4.663 9.019 ( 3.857 1.719 -1.726) 4.562 9.130 ( -1.458 2.850 2.649) 4.155 9.155 ( 2.434 4.819 -0.268) 5.406 9.174 ( 2.301 -4.422 -2.333) 5.504 9.263 ( -4.877 -3.026 0.884) 5.807 9.365 ( 5.238 -5.215 3.551) 8.200 9.411 ( 3.441 -6.315 -4.841) 8.669 9.541 ( -1.758 3.430 -0.304) 3.866 9.620 ( -2.424 1.752 1.823) 3.503 9.789 ( -2.921 5.699 -7.994) 10.242 9.878 ( -0.005 0.385 -6.244) 6.256 9.947 ( 7.337 1.218 0.242) 7.441 9.973 ( -0.612 6.401 -5.261) 8.308 10.091 ( 3.128 -7.286 7.563) 10.958 10.185 ( -1.577 -1.385 0.229) 2.111 10.344 ( 1.367 0.728 0.329) 1.584 10.400 ( -1.610 0.616 -5.250) 5.526 10.518 ( 2.447 1.014 -5.732) 6.315 10.598 ( 4.098 -0.685 -12.427) 13.103 10.672 ( -1.696 1.059 -1.514) 2.508 10.703 ( 2.682 -0.393 1.584) 3.139 10.851 ( -6.108 1.551 -5.162) 8.146 10.909 ( -6.378 -2.494 3.740) 7.803 11.035 ( -4.417 -3.493 -1.726) 5.889 11.088 ( 1.647 -4.790 -3.855) 6.365 11.164 ( 2.996 -2.933 -4.637) 6.251 11.204 ( -2.234 4.344 -4.370) 6.554 11.251 ( 3.113 -6.180 -0.384) 6.930 11.391 ( 5.068 -3.579 -7.474) 9.714 11.507 ( -5.987 1.693 1.898) 6.505 11.534 ( -2.340 1.901 -0.321) 3.032 11.581 ( 1.705 4.654 -3.389) 6.004 11.680 ( -5.952 0.128 -5.530) 8.126 11.705 ( 0.491 -1.130 -2.682) 2.952 11.733 ( -1.253 1.523 -2.586) 3.252 11.764 ( 2.169 1.273 -2.768) 3.740 11.870 ( -5.529 -0.169 1.516) 5.736 11.999 ( -4.419 -0.744 -2.092) 4.946 12.082 ( -1.518 -1.623 -1.185) 2.518 12.161 ( 0.193 2.488 -5.575) 6.108 12.322 ( 0.470 0.742 -6.660) 6.718 12.342 ( -2.944 -3.358 -3.064) 5.416 12.414 ( 0.099 -0.149 -0.863) 0.881 12.490 ( -2.190 1.354 -5.295) 5.888 12.533 ( -1.327 -0.946 -3.378) 3.750 12.620 ( 2.434 2.614 4.128) 5.459 12.816 ( -0.466 -4.647 3.228) 5.677 12.979 ( -2.474 4.932 -1.348) 5.680 13.043 ( -5.263 -0.121 -4.075) 6.657 13.142 ( 2.924 2.043 -2.991) 4.656 13.237 ( 5.159 4.397 12.715) 14.409 13.248 ( 1.883 -3.453 -0.205) 3.938 13.441 ( 2.115 -4.807 7.939) 9.519 13.548 ( -2.396 -0.114 6.609) 7.031 13.616 ( -4.484 -1.859 5.997) 7.715 13.674 ( 1.467 6.735 3.774) 7.859 13.843 ( 0.143 1.430 1.686) 2.215 13.961 ( 4.067 1.923 -1.979) 4.915 14.045 ( 2.893 4.209 2.606) 5.734 14.087 ( 0.821 -3.580 -0.941) 3.791 14.206 ( 0.246 -0.476 -0.252) 0.592 14.298 ( -0.664 5.982 -0.895) 6.085 14.419 ( -0.718 -4.420 0.986) 4.585 14.557 ( 5.861 -3.392 3.454) 7.602 14.595 ( -0.133 1.287 2.438) 2.760 14.676 ( -1.363 -0.635 0.058) 1.505 14.761 ( -0.619 -3.512 -0.209) 3.572 14.784 ( 0.244 -2.890 3.321) 4.410 14.902 ( 0.978 -7.190 -2.275) 7.604 14.999 ( 0.814 3.804 11.942) 12.560 15.165 ( -0.559 -4.465 5.354) 6.994 15.202 ( -0.453 0.500 -3.158) 3.230 15.297 ( 1.461 -3.208 -5.683) 6.688 15.339 ( 3.387 0.250 -4.439) 5.590 15.390 ( -1.775 -0.010 -2.057) 2.717 15.444 ( 3.205 4.126 -3.645) 6.370 15.549 ( -5.494 5.617 -1.789) 8.058 15.571 ( -1.490 2.216 -0.992) 2.848 15.665 ( -1.550 1.159 -2.364) 3.056 15.888 ( -4.624 -2.474 -2.521) 5.818 15.959 ( -0.349 -0.693 -2.406) 2.528 16.061 ( 0.808 2.051 -0.289) 2.223 16.187 ( -1.186 2.064 2.102) 3.176 16.274 ( -0.914 2.097 3.107) 3.858 16.321 ( -3.644 -1.303 1.013) 4.001 16.432 ( 6.275 0.185 6.546) 9.070 16.502 ( -0.018 -2.292 -0.556) 2.358 16.591 ( -1.143 -1.424 -1.323) 2.255 16.626 ( -0.227 -1.888 5.683) 5.993 17.517 ( 2.275 1.210 4.701) 5.360 17.573 ( 3.872 -1.245 4.924) 6.386 17.742 ( -1.502 6.833 -3.967) 8.043 17.996 ( -4.026 -5.289 -6.453) 9.264 18.279 ( -0.512 0.508 5.375) 5.423 18.364 ( 0.206 -2.971 5.589) 6.333 18.609 ( -0.074 2.438 0.894) 2.598 18.696 ( 3.478 -1.967 -6.532) 7.657 19.293 ( 4.669 7.190 4.382) 9.628 19.587 ( 5.115 -4.284 4.244) 7.907 19.786 ( -1.614 4.219 4.983) 6.725 19.844 ( -3.524 1.598 -1.178) 4.045 20.084 ( -0.153 1.684 3.671) 4.042 20.383 ( -0.027 -10.308 4.458) 11.231 20.662 ( -1.433 6.011 2.250) 6.576 20.882 ( 1.881 -6.250 1.445) 6.685 21.082 ( 1.567 5.040 0.658) 5.319 21.208 ( -4.798 -0.931 1.664) 5.163 21.267 ( 3.565 -0.136 2.031) 4.105 21.321 ( 3.742 -3.806 5.161) 7.425 21.543 ( 4.888 7.375 -3.043) 9.356 21.835 ( 0.749 -8.939 -2.865) 9.417 22.135 ( -5.323 5.428 -1.725) 7.795 22.190 ( -3.025 0.990 -3.956) 5.078 22.506 ( -3.970 1.084 1.872) 4.521 22.750 ( -4.169 -1.972 0.757) 4.673 22.894 ( 5.582 8.579 2.351) 10.502 23.260 ( 4.398 -5.490 -2.075) 7.334 24.187 ( -2.449 2.295 0.834) 3.459 24.346 ( -2.267 -5.306 -2.043) 6.121 24.532 ( 2.075 2.138 1.958) 3.565 24.610 ( 8.559 -1.832 0.026) 8.753 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -11.441 9.699 -6.287) 16.263 1.793 ( -10.452 8.419 -8.347) 15.805 2.027 ( -6.318 -1.425 -3.952) 7.587 2.060 ( -2.635 0.608 -2.207) 3.491 2.109 ( -0.555 0.164 -3.340) 3.390 2.142 ( 2.158 2.024 -3.482) 4.569 2.313 ( -3.231 0.832 0.050) 3.337 2.372 ( 0.346 0.459 1.507) 1.613 2.455 ( -1.347 -2.567 -2.494) 3.824 2.488 ( 2.278 -0.591 0.315) 2.374 2.615 ( -8.853 -0.132 0.894) 8.899 2.664 ( -1.229 -0.381 6.109) 6.243 2.687 ( 0.267 -1.706 -0.930) 1.962 2.767 ( -4.528 -2.201 2.784) 5.753 2.892 ( -6.661 3.024 -10.539) 12.829 2.936 ( 7.796 2.194 -3.524) 8.832 3.115 ( -6.797 -4.943 3.832) 9.237 3.192 ( -1.618 -1.164 1.349) 2.407 3.255 ( -1.887 2.838 -2.415) 4.177 3.329 ( -4.204 1.263 3.561) 5.652 3.405 ( -2.997 3.691 0.984) 4.855 3.569 ( -1.358 -6.629 -3.836) 7.779 3.607 ( -5.041 -4.230 -0.756) 6.624 3.758 ( 1.909 2.940 -2.211) 4.144 3.885 ( -2.737 -11.764 -4.836) 13.010 3.893 ( -2.086 0.213 0.064) 2.097 3.990 ( 2.672 5.954 -3.303) 7.314 4.224 ( 1.791 -4.048 2.745) 5.209 4.395 ( 2.353 1.824 1.987) 3.580 4.400 ( 2.941 3.090 -1.229) 4.440 4.562 ( -12.648 5.306 -4.201) 14.345 4.624 ( -19.985 6.832 -5.254) 21.764 4.704 ( -8.010 1.202 -4.103) 9.079 4.946 ( -6.135 -5.099 6.236) 10.125 5.115 ( -3.578 4.333 3.943) 6.865 5.252 ( 0.824 -1.030 7.793) 7.903 5.285 ( 3.798 -1.210 4.825) 6.259 5.373 ( -1.446 -3.770 -2.886) 4.963 5.436 ( -1.570 -3.489 16.390) 16.830 5.456 ( -4.344 -2.895 7.578) 9.202 5.512 ( 5.449 -2.148 -0.744) 5.904 5.602 ( 10.625 -6.928 0.792) 12.708 5.613 ( 2.015 -0.483 -3.564) 4.122 5.738 ( 5.388 -5.061 1.390) 7.521 5.911 ( -4.813 -0.935 6.685) 8.291 5.936 ( -2.259 -2.927 4.399) 5.747 5.989 ( 7.324 7.189 1.824) 10.424 6.093 ( -3.928 1.925 -1.230) 4.544 6.135 ( -1.908 0.370 -4.080) 4.520 6.156 ( 1.749 9.639 1.765) 9.954 6.213 ( -0.303 -1.958 2.347) 3.072 6.323 ( -3.447 -3.465 -8.883) 10.139 6.362 ( 4.381 -2.430 -7.891) 9.347 6.660 ( 3.706 9.253 2.130) 10.193 6.682 ( 2.601 4.646 8.038) 9.642 6.717 ( 7.259 -6.461 -1.820) 9.887 6.805 ( -8.258 -4.140 4.752) 10.388 6.892 ( 2.891 -4.483 4.511) 6.986 6.972 ( 9.568 6.015 9.264) 14.613 7.004 ( 2.356 0.630 6.159) 6.624 7.060 ( 1.133 -1.587 7.428) 7.679 7.130 ( 1.523 -0.964 3.918) 4.313 7.272 ( 0.734 8.259 12.410) 14.925 7.311 ( 3.174 4.057 3.033) 5.978 7.372 ( 2.683 0.251 4.992) 5.673 7.432 ( 2.669 -2.194 5.290) 6.318 7.512 ( -0.993 -4.877 -1.604) 5.229 7.576 ( -1.813 -0.897 3.491) 4.035 7.753 ( 7.846 -2.301 -0.366) 8.185 7.795 ( 7.091 -1.275 -0.650) 7.234 7.833 ( 0.843 -2.707 1.763) 3.338 7.887 ( 0.118 0.032 0.088) 0.151 7.958 ( 0.654 1.400 2.723) 3.131 8.006 ( -3.751 0.569 2.147) 4.359 8.144 ( 4.981 6.172 -6.318) 10.140 8.266 ( 0.560 4.745 -7.366) 8.779 8.402 ( 4.808 1.727 -1.739) 5.397 8.492 ( 2.926 -6.420 -0.380) 7.066 8.580 ( 3.649 1.352 6.115) 7.248 8.655 ( 5.128 0.239 0.119) 5.135 8.696 ( -0.846 2.508 -3.690) 4.541 8.726 ( 0.045 2.295 -9.742) 10.009 8.865 ( 2.893 -5.794 1.190) 6.584 9.002 ( -2.285 -5.717 -18.210) 19.223 9.095 ( -0.937 5.750 -0.716) 5.870 9.118 ( -5.188 4.414 3.026) 7.453 9.227 ( -0.465 0.230 -1.561) 1.645 9.257 ( -2.545 -0.069 0.393) 2.576 9.320 ( 1.251 -2.514 -5.092) 5.815 9.403 ( -1.866 -4.964 -3.850) 6.554 9.462 ( -3.083 6.123 -1.213) 6.962 9.617 ( -0.496 6.849 -2.821) 7.424 9.680 ( 5.638 0.936 -10.341) 11.815 9.725 ( -4.741 -3.850 -4.958) 7.867 9.856 ( 1.804 7.889 -11.476) 14.042 9.978 ( 2.245 2.084 -13.658) 13.997 10.214 ( 1.233 -8.473 0.990) 8.619 10.225 ( 7.932 -5.951 1.548) 10.036 10.313 ( 0.692 0.113 1.918) 2.042 10.413 ( -2.714 0.593 4.431) 5.230 10.496 ( -0.939 0.594 0.734) 1.332 10.552 ( 4.309 -2.292 -0.326) 4.891 10.630 ( -1.038 -0.831 0.414) 1.392 10.760 ( -1.369 -2.961 3.532) 4.808 10.814 ( -9.972 -2.163 2.084) 10.414 10.828 ( -2.921 -5.834 4.967) 8.200 10.924 ( -6.703 1.963 0.049) 6.985 11.045 ( -2.052 -2.864 -2.013) 4.057 11.090 ( -4.324 4.938 -2.754) 7.118 11.189 ( -2.415 0.888 -1.660) 3.062 11.257 ( -4.916 -3.985 0.383) 6.340 11.283 ( -1.375 -3.844 -6.224) 7.443 11.440 ( -3.770 0.837 -1.827) 4.272 11.470 ( -3.735 1.930 -5.112) 6.619 11.533 ( -0.317 1.656 -0.940) 1.931 11.584 ( 0.915 -1.499 3.222) 3.670 11.688 ( 2.358 0.307 -1.184) 2.656 11.699 ( 2.662 3.479 -0.512) 4.411 11.834 ( 2.899 1.379 1.222) 3.435 11.873 ( 2.504 2.484 -1.990) 4.050 11.979 ( 1.772 -4.320 -0.689) 4.720 12.078 ( 1.579 -3.860 -5.060) 6.557 12.091 ( 1.378 2.788 -1.300) 3.370 12.208 ( -1.932 -1.357 -3.963) 4.613 12.263 ( 2.003 1.018 -6.900) 7.257 12.299 ( 0.078 0.754 -8.675) 8.708 12.452 ( -0.253 -1.083 -4.657) 4.788 12.513 ( 0.862 -3.700 -2.586) 4.596 12.724 ( 0.924 2.736 6.384) 7.007 12.801 ( -5.831 -1.598 1.890) 6.334 12.920 ( -0.068 3.097 -3.193) 4.449 12.944 ( -3.416 1.591 -1.479) 4.048 13.204 ( 3.767 2.957 3.980) 6.226 13.328 ( 6.407 -3.035 4.826) 8.576 13.441 ( 0.317 0.781 4.656) 4.731 13.522 ( -1.824 -2.018 0.031) 2.721 13.555 ( -1.756 3.219 6.344) 7.328 13.620 ( -3.614 2.374 -2.232) 4.866 13.724 ( 2.776 0.733 8.626) 9.092 13.830 ( -2.396 4.111 0.402) 4.775 13.917 ( -0.660 -0.008 -5.929) 5.965 14.075 ( 4.362 -0.516 -2.827) 5.223 14.141 ( 1.102 2.502 4.676) 5.417 14.245 ( 2.922 0.742 2.653) 4.016 14.330 ( 3.244 3.604 -0.524) 4.877 14.411 ( -1.994 -3.127 1.993) 4.210 14.589 ( -2.437 -5.608 -2.869) 6.755 14.627 ( -0.933 -1.309 4.114) 4.417 14.662 ( 3.023 -2.873 1.049) 4.300 14.737 ( -1.252 -4.167 1.204) 4.514 14.897 ( 3.796 -1.715 3.250) 5.284 14.945 ( 3.261 -1.229 2.423) 4.245 15.112 ( -2.224 0.198 -4.030) 4.607 15.171 ( 0.829 0.856 2.952) 3.184 15.200 ( -2.989 -2.734 -0.756) 4.120 15.240 ( 1.727 0.423 -1.656) 2.430 15.323 ( 5.368 -1.710 -5.681) 8.001 15.343 ( -2.937 -3.070 3.036) 5.222 15.436 ( -1.062 7.983 -2.584) 8.458 15.493 ( 2.431 6.544 0.545) 7.003 15.557 ( -0.301 4.901 0.677) 4.957 15.655 ( 1.924 -0.447 -0.606) 2.066 15.829 ( -2.864 -4.142 1.553) 5.269 15.930 ( -0.770 -7.253 -1.189) 7.390 16.070 ( -0.915 4.909 1.918) 5.349 16.204 ( -0.733 2.334 1.275) 2.759 16.255 ( -2.208 -0.522 -2.187) 3.151 16.279 ( -2.937 -0.339 0.515) 3.001 16.422 ( -4.667 5.862 -0.023) 7.493 16.566 ( 2.572 0.036 0.977) 2.751 16.643 ( 0.434 -4.235 4.404) 6.125 16.663 ( 1.205 -3.675 3.982) 5.551 17.585 ( 0.173 1.824 2.462) 3.068 17.629 ( -2.861 2.850 -1.285) 4.238 17.691 ( 1.312 -0.035 1.699) 2.147 17.824 ( -6.553 -3.504 -6.055) 9.585 18.347 ( -0.795 0.498 6.424) 6.492 18.448 ( 0.571 -4.087 6.020) 7.299 18.610 ( 1.059 2.702 -1.284) 3.173 18.682 ( 4.285 -1.245 -5.625) 7.180 19.432 ( 4.884 6.275 5.864) 9.880 19.652 ( -0.413 -3.393 -3.509) 4.898 19.767 ( -3.433 -0.057 1.903) 3.925 19.793 ( -4.233 -0.228 2.292) 4.819 20.240 ( 6.123 3.896 10.958) 13.144 20.366 ( -7.972 -1.075 0.735) 8.077 20.718 ( 2.568 1.851 5.323) 6.194 20.869 ( -4.913 -6.233 -0.763) 7.973 21.122 ( -0.813 6.264 -1.486) 6.489 21.184 ( 3.868 1.011 1.666) 4.332 21.366 ( 2.827 -2.102 4.415) 5.648 21.420 ( 2.829 -2.192 2.190) 4.196 21.588 ( 1.765 4.711 -0.367) 5.044 21.788 ( 2.464 -5.736 -8.019) 10.162 22.036 ( -3.935 1.325 -0.081) 4.153 22.104 ( -2.200 -1.838 -3.043) 4.181 22.489 ( -2.243 6.178 2.800) 7.144 22.719 ( 0.615 2.755 0.210) 2.831 22.997 ( 2.644 2.617 3.056) 4.814 23.279 ( 3.166 -4.923 -3.717) 6.934 24.180 ( -0.342 0.577 2.692) 2.774 24.273 ( -1.766 -4.040 -2.794) 5.220 24.589 ( 2.291 3.675 0.636) 4.377 24.770 ( 12.214 -4.852 -0.895) 13.173 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -22.219 20.490 -1.974) 30.289 1.549 ( -17.622 10.213 2.499) 20.520 1.904 ( -8.858 -5.148 0.662) 10.266 2.014 ( -1.400 0.857 0.008) 1.641 2.054 ( -3.264 -3.777 -0.978) 5.087 2.099 ( -6.930 -9.398 -0.528) 11.689 2.195 ( -3.287 3.711 -3.034) 5.812 2.392 ( -4.642 3.486 2.189) 6.204 2.410 ( -3.236 -1.213 0.395) 3.478 2.510 ( 0.474 -2.300 -1.132) 2.607 2.540 ( -0.896 -1.062 0.729) 1.569 2.632 ( 1.225 0.119 -1.891) 2.256 2.688 ( -2.818 -0.289 3.021) 4.141 2.727 ( -4.027 -0.685 2.534) 4.807 2.802 ( 0.479 4.996 3.192) 5.948 3.046 ( -10.078 -2.882 6.871) 12.533 3.098 ( 8.788 -0.836 3.545) 9.513 3.202 ( -14.131 4.676 8.553) 17.167 3.277 ( 2.558 5.598 2.141) 6.517 3.354 ( 5.069 1.818 -0.067) 5.385 3.410 ( 2.140 -0.217 1.959) 2.910 3.535 ( -0.052 -1.015 2.446) 2.649 3.556 ( 0.316 -9.116 -1.261) 9.208 3.714 ( -6.696 -3.044 -4.734) 8.747 3.793 ( -1.764 0.962 4.030) 4.503 3.874 ( -12.674 -0.067 1.977) 12.827 3.897 ( -10.916 5.240 -6.416) 13.703 4.079 ( 0.911 4.616 4.137) 6.265 4.232 ( -5.290 0.238 -3.570) 6.386 4.331 ( -5.396 1.893 -5.196) 7.726 4.393 ( -3.319 -3.751 -7.011) 8.616 4.480 ( -10.786 -1.976 0.849) 10.999 4.561 ( -4.149 -2.134 -6.334) 7.867 4.827 ( -13.757 -10.302 0.936) 17.212 5.081 ( -13.150 -2.114 -5.088) 14.258 5.165 ( -3.743 1.751 4.584) 6.171 5.314 ( 1.024 -3.191 -2.009) 3.907 5.368 ( -0.091 -6.508 0.994) 6.584 5.456 ( -8.368 0.353 -0.285) 8.380 5.511 ( -0.942 -0.134 -0.680) 1.170 5.605 ( 5.080 5.957 4.436) 8.998 5.682 ( 0.027 2.619 6.727) 7.219 5.750 ( 3.995 -2.316 0.671) 4.666 5.872 ( -5.014 -4.045 -1.221) 6.557 5.915 ( 7.185 -7.252 1.994) 10.401 5.920 ( 0.470 -4.989 1.350) 5.190 6.065 ( -0.685 3.630 4.557) 5.866 6.087 ( 0.885 4.190 2.456) 4.937 6.150 ( 3.606 4.798 6.343) 8.733 6.223 ( 2.786 1.075 2.247) 3.738 6.249 ( 5.737 -1.729 -1.785) 6.252 6.251 ( 1.403 1.190 -0.327) 1.869 6.375 ( 5.449 3.039 -1.256) 6.364 6.714 ( 2.314 14.787 0.866) 14.992 6.734 ( -1.786 -8.119 3.455) 9.002 6.860 ( 12.521 3.613 0.333) 13.036 6.954 ( 10.837 -3.251 5.613) 12.630 7.011 ( 2.886 -3.566 9.042) 10.139 7.118 ( 1.655 0.041 4.996) 5.263 7.133 ( 1.050 1.772 1.993) 2.866 7.196 ( 3.341 0.213 1.282) 3.585 7.222 ( 5.429 2.267 8.262) 10.143 7.332 ( -0.736 2.269 -2.451) 3.420 7.366 ( -0.143 -3.328 -3.808) 5.060 7.406 ( -1.122 -0.233 -2.207) 2.487 7.440 ( 5.573 -1.561 -5.715) 8.133 7.554 ( 1.991 5.276 9.391) 10.954 7.673 ( 6.999 5.317 -4.463) 9.858 7.753 ( -1.497 -0.662 -1.857) 2.475 7.861 ( 10.486 -2.458 -2.237) 11.000 7.926 ( 0.381 0.378 2.623) 2.677 8.032 ( 2.420 -3.165 8.730) 9.597 8.060 ( 1.215 3.046 -9.259) 9.822 8.085 ( 3.872 6.097 9.467) 11.907 8.098 ( 0.324 5.624 -3.278) 6.518 8.266 ( -6.738 -4.397 -17.275) 19.056 8.315 ( 11.918 -1.471 12.835) 17.577 8.506 ( -1.788 1.004 -17.353) 17.474 8.527 ( 0.978 -5.531 -7.977) 9.756 8.618 ( 3.366 -1.667 -7.942) 8.786 8.696 ( 6.416 2.549 -8.330) 10.819 8.706 ( 5.034 -0.078 5.414) 7.393 8.830 ( -0.878 0.080 -1.964) 2.153 8.845 ( -1.280 -5.185 -1.986) 5.698 8.973 ( -2.999 2.418 -1.435) 4.111 9.063 ( -7.109 0.378 -0.222) 7.123 9.162 ( -5.925 0.971 2.911) 6.673 9.205 ( -1.114 1.360 -3.779) 4.168 9.220 ( -1.998 1.045 -0.981) 2.459 9.358 ( -2.104 -1.347 -2.333) 3.419 9.515 ( 2.561 -0.273 4.241) 4.962 9.550 ( -2.154 -2.272 -5.660) 6.468 9.619 ( 0.690 3.446 -6.791) 7.646 9.666 ( 4.512 7.477 0.484) 8.746 9.730 ( -1.164 2.421 -7.011) 7.508 9.927 ( 4.453 8.731 -4.510) 10.789 10.079 ( -8.365 -2.232 -9.232) 12.656 10.282 ( 2.984 -1.887 -3.568) 5.020 10.368 ( 1.592 -7.108 1.280) 7.395 10.459 ( 4.370 -1.806 2.384) 5.295 10.517 ( -6.695 -2.390 1.970) 7.377 10.626 ( -0.949 -2.856 -0.589) 3.066 10.674 ( -4.011 -4.236 3.101) 6.606 10.692 ( -4.562 -4.794 6.030) 8.953 10.764 ( -3.392 -3.671 9.074) 10.359 10.815 ( -4.573 -0.929 -5.227) 7.007 10.839 ( -4.700 -3.964 1.484) 6.325 10.964 ( -2.991 -3.592 0.067) 4.675 11.049 ( -5.375 1.315 1.040) 5.630 11.134 ( -3.166 1.073 12.358) 12.802 11.161 ( -3.405 4.346 -2.994) 6.280 11.185 ( -3.120 3.254 -1.325) 4.699 11.338 ( -6.022 1.598 -1.688) 6.455 11.435 ( 0.608 -2.456 0.440) 2.568 11.566 ( 1.957 -1.714 -0.245) 2.613 11.647 ( 1.659 -1.293 1.781) 2.756 11.692 ( 1.227 3.045 -5.244) 6.187 11.811 ( 6.071 0.129 4.638) 7.641 11.867 ( -0.532 -0.429 -6.137) 6.175 11.905 ( 2.375 -0.210 -0.456) 2.427 11.931 ( 4.017 1.544 3.807) 5.746 12.066 ( 5.566 -5.258 -5.546) 9.454 12.137 ( 1.788 -1.053 -2.324) 3.116 12.194 ( 2.097 -4.026 1.642) 4.827 12.272 ( 6.547 2.783 -2.975) 7.711 12.292 ( 4.590 1.638 3.384) 5.933 12.408 ( 3.234 -0.343 -3.655) 4.892 12.488 ( 2.853 -2.948 -3.248) 5.233 12.718 ( -8.415 -1.702 3.485) 9.266 12.778 ( -4.399 -3.126 6.107) 8.150 12.869 ( -3.257 2.267 -0.933) 4.076 12.907 ( 0.074 2.639 -1.264) 2.926 13.316 ( -7.518 2.669 0.788) 8.016 13.363 ( 3.364 5.572 4.446) 7.883 13.395 ( -0.490 3.462 -6.653) 7.516 13.487 ( -0.329 -0.812 -7.601) 7.652 13.594 ( -3.197 -4.121 4.339) 6.784 13.639 ( 5.344 -1.396 9.290) 10.808 13.808 ( 1.094 2.465 0.383) 2.724 13.878 ( 4.341 0.907 3.970) 5.952 13.936 ( 5.968 2.969 1.383) 6.807 14.109 ( 4.414 -2.016 -1.764) 5.163 14.185 ( -1.784 3.114 2.444) 4.342 14.314 ( 1.102 4.031 0.304) 4.190 14.330 ( 3.127 0.843 -4.994) 5.952 14.448 ( 1.781 0.814 3.437) 3.956 14.529 ( -0.623 -7.671 -3.264) 8.360 14.645 ( -2.612 0.352 1.974) 3.293 14.709 ( 2.779 -3.199 2.153) 4.753 14.828 ( 7.343 -3.378 4.067) 9.048 14.934 ( -1.114 -2.157 0.427) 2.465 14.986 ( -3.061 -1.964 -0.472) 3.668 15.036 ( -2.997 1.192 -4.085) 5.205 15.084 ( -2.558 -1.243 -5.058) 5.802 15.118 ( -0.196 -2.266 0.987) 2.480 15.208 ( -3.607 -2.706 -7.230) 8.521 15.364 ( 0.527 3.577 -2.563) 4.432 15.370 ( 5.405 5.458 1.718) 7.871 15.470 ( 3.272 3.713 0.520) 4.976 15.545 ( -0.680 4.334 4.345) 6.175 15.588 ( 4.505 6.579 0.093) 7.974 15.674 ( 1.865 -2.521 -1.462) 3.460 15.830 ( -1.835 -7.801 3.655) 8.808 15.925 ( 1.580 -8.558 0.753) 8.736 16.046 ( -6.788 4.016 -1.004) 7.951 16.169 ( -1.340 6.474 4.811) 8.176 16.197 ( -3.804 -0.827 -0.373) 3.911 16.296 ( 2.494 0.542 1.728) 3.082 16.411 ( -1.575 2.429 4.066) 4.991 16.565 ( -6.699 -4.866 -2.411) 8.624 16.630 ( 4.359 3.146 0.032) 5.376 16.779 ( 3.038 -3.671 2.689) 5.472 17.551 ( -3.116 1.471 0.539) 3.488 17.617 ( -1.644 1.479 1.455) 2.646 17.671 ( -3.806 -0.418 -1.815) 4.237 17.748 ( -0.564 -0.851 2.196) 2.422 18.400 ( -2.612 -0.041 5.541) 6.126 18.495 ( -1.057 -3.970 1.280) 4.304 18.637 ( 3.549 1.509 0.283) 3.867 18.671 ( 5.079 -0.025 -7.248) 8.851 19.497 ( -5.446 1.283 -5.503) 7.847 19.568 ( 0.750 0.866 1.569) 1.943 19.747 ( -3.725 -0.359 3.199) 4.923 19.790 ( -1.294 -1.081 3.580) 3.957 20.196 ( -11.088 3.813 -3.620) 12.272 20.390 ( -3.392 -6.658 2.424) 7.856 20.753 ( -3.036 3.596 -0.699) 4.758 20.851 ( 1.416 1.062 8.192) 8.381 21.094 ( 0.935 9.990 -1.955) 10.222 21.226 ( 1.764 2.920 -4.431) 5.592 21.401 ( -0.804 -2.620 -2.717) 3.859 21.493 ( 0.743 -0.500 3.434) 3.549 21.567 ( -0.808 2.221 1.285) 2.691 21.724 ( 4.039 -5.401 -10.059) 12.111 22.018 ( -2.114 1.127 2.998) 3.838 22.098 ( 1.378 -3.458 3.256) 4.946 22.485 ( -4.353 11.818 3.864) 13.174 22.797 ( 8.399 -0.044 0.870) 8.444 23.042 ( 0.077 -0.815 1.668) 1.858 23.266 ( 4.099 -6.067 -6.978) 10.115 24.237 ( 0.259 -1.319 3.492) 3.742 24.266 ( 4.300 -1.620 1.857) 4.956 24.601 ( 2.941 6.243 -5.102) 8.582 24.904 ( 11.662 -8.138 -8.045) 16.338 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -17.995 22.414 13.950) 31.950 1.356 ( -21.756 14.535 15.273) 30.296 1.788 ( -10.800 -2.998 6.830) 13.126 1.936 ( -7.607 -11.373 0.034) 13.683 2.014 ( -6.707 1.164 1.677) 7.011 2.059 ( -1.775 -4.516 3.408) 5.929 2.159 ( -7.779 5.988 0.851) 9.854 2.223 ( -4.114 5.007 5.213) 8.317 2.459 ( -0.344 4.309 2.405) 4.947 2.516 ( 0.497 -3.081 -0.066) 3.121 2.572 ( 0.729 0.443 1.838) 2.026 2.667 ( -4.229 1.211 6.912) 8.193 2.680 ( -2.003 3.374 2.027) 4.417 2.740 ( 1.799 -1.485 4.866) 5.397 2.833 ( -2.560 3.868 2.964) 5.505 2.935 ( -13.738 1.526 13.893) 19.598 3.125 ( -10.021 2.012 13.088) 16.606 3.271 ( -1.873 1.361 8.033) 8.360 3.321 ( -6.901 -3.017 0.002) 7.531 3.356 ( 1.774 -0.286 -3.676) 4.091 3.468 ( -1.689 -2.162 -0.629) 2.815 3.527 ( 0.458 -0.421 1.305) 1.446 3.609 ( -1.089 -4.733 3.928) 6.246 3.633 ( 0.626 1.622 -0.759) 1.897 3.737 ( 5.816 -3.382 8.682) 10.983 3.873 ( 1.885 0.959 6.229) 6.578 3.949 ( 3.313 0.143 -2.929) 4.425 3.997 ( -9.658 -5.189 -2.344) 11.212 4.110 ( -2.631 -1.018 -4.992) 5.734 4.196 ( -2.751 2.857 1.820) 4.364 4.275 ( -2.643 -5.772 -5.239) 8.231 4.365 ( -8.597 -2.103 3.241) 9.426 4.438 ( -1.625 -7.062 -4.893) 8.744 4.609 ( -13.873 -19.358 -2.633) 23.961 4.862 ( -5.361 8.044 -0.887) 9.708 5.155 ( -2.094 5.159 -9.019) 10.599 5.197 ( -4.817 -4.888 3.232) 7.585 5.319 ( -1.618 -3.746 -3.310) 5.254 5.473 ( 2.185 1.489 1.008) 2.829 5.483 ( -5.069 -2.893 -3.907) 7.023 5.625 ( -2.974 6.868 5.129) 9.073 5.661 ( -1.239 0.586 -2.357) 2.726 5.766 ( -1.889 5.753 -0.499) 6.076 5.858 ( -0.405 2.516 2.241) 3.394 5.939 ( 1.979 -1.847 -1.335) 3.018 5.983 ( 1.482 -4.991 -1.918) 5.549 6.031 ( -6.658 0.133 0.625) 6.689 6.138 ( 2.310 -0.337 -3.351) 4.084 6.227 ( -2.067 6.437 1.106) 6.850 6.279 ( 5.460 3.304 -2.785) 6.963 6.285 ( 2.114 1.546 6.814) 7.300 6.382 ( 2.335 5.563 5.981) 8.495 6.564 ( 13.385 2.644 3.574) 14.104 6.742 ( -0.694 -1.157 0.948) 1.649 6.754 ( 3.258 6.200 2.637) 7.484 7.013 ( -0.145 -1.973 -5.681) 6.016 7.059 ( 4.271 1.440 -3.438) 5.669 7.078 ( 1.257 5.529 -2.182) 6.076 7.133 ( -2.913 1.503 -8.462) 9.075 7.135 ( 2.178 -0.526 -6.014) 6.418 7.194 ( 0.525 1.492 -5.409) 5.635 7.226 ( -3.438 2.229 -6.577) 7.749 7.298 ( 0.529 5.129 0.437) 5.175 7.339 ( 3.551 1.697 -1.525) 4.221 7.425 ( 5.810 -3.745 0.467) 6.928 7.445 ( -0.422 -5.186 1.021) 5.302 7.545 ( 2.788 -2.918 -4.327) 5.917 7.677 ( -0.989 -3.022 -5.944) 6.742 7.772 ( 3.461 -3.746 1.291) 5.261 7.791 ( 1.955 0.058 3.557) 4.060 7.940 ( 2.675 -1.193 -4.979) 5.777 8.030 ( -0.827 -3.665 -5.639) 6.776 8.065 ( 11.879 -0.580 -0.380) 11.900 8.092 ( 1.940 -6.062 -4.414) 7.746 8.169 ( -0.795 5.767 -3.868) 6.989 8.288 ( 10.468 7.816 6.109) 14.422 8.463 ( 6.713 2.090 12.755) 14.564 8.515 ( 4.304 0.010 -0.902) 4.398 8.557 ( 0.489 2.810 -4.378) 5.225 8.592 ( -1.851 -3.739 -7.334) 8.438 8.660 ( 4.594 2.398 -7.745) 9.318 8.744 ( 0.745 1.589 5.286) 5.569 8.793 ( 0.110 0.238 -3.206) 3.217 8.826 ( 1.887 -2.889 -0.410) 3.475 8.977 ( -1.553 -0.060 1.605) 2.234 9.004 ( -6.065 2.366 1.869) 6.773 9.127 ( -3.511 1.089 1.284) 3.894 9.203 ( -0.150 -0.384 4.303) 4.323 9.246 ( 3.442 -1.209 4.249) 5.600 9.354 ( 0.967 -5.191 6.782) 8.595 9.491 ( -5.813 0.298 2.450) 6.315 9.553 ( -1.557 3.533 -0.621) 3.910 9.585 ( -4.178 -1.896 -1.042) 4.705 9.679 ( 7.970 3.403 6.295) 10.711 9.773 ( 2.944 3.998 -3.089) 5.847 9.823 ( -6.591 0.288 -5.424) 8.540 9.995 ( 5.349 8.020 4.077) 10.468 10.257 ( 1.269 -0.130 -7.079) 7.193 10.367 ( -3.005 -2.016 2.745) 4.542 10.416 ( -4.001 -2.854 1.006) 5.017 10.499 ( -5.457 -0.154 -1.768) 5.739 10.567 ( -4.772 -2.786 2.844) 6.214 10.568 ( -5.586 -1.918 -4.103) 7.191 10.650 ( -0.358 -0.284 -5.386) 5.405 10.752 ( 4.139 -0.112 -3.243) 5.260 10.802 ( -1.138 -5.532 3.872) 6.847 10.898 ( -4.932 -11.482 3.562) 12.994 10.918 ( 1.611 -3.238 4.760) 5.978 11.001 ( -3.814 0.299 5.231) 6.481 11.158 ( 1.835 2.700 2.110) 3.887 11.178 ( 0.314 6.147 3.833) 7.251 11.263 ( 0.481 3.755 3.683) 5.282 11.368 ( -1.328 -5.000 7.453) 9.073 11.427 ( -1.623 2.032 3.615) 4.453 11.548 ( -2.635 0.350 2.766) 3.836 11.602 ( -0.009 -6.413 -1.565) 6.601 11.704 ( 1.830 -0.991 1.056) 2.334 11.781 ( 0.995 0.796 -5.167) 5.322 11.913 ( 0.012 -1.342 5.567) 5.727 11.971 ( 2.057 -3.637 0.595) 4.221 12.053 ( 4.640 0.341 -2.016) 5.070 12.081 ( 3.645 -0.750 -1.081) 3.875 12.161 ( 6.232 -2.478 -1.642) 6.904 12.254 ( 3.421 -4.644 2.639) 6.343 12.338 ( 5.251 2.211 -1.011) 5.787 12.415 ( 1.730 0.226 3.693) 4.084 12.450 ( 3.380 1.575 2.046) 4.253 12.529 ( 2.547 -1.864 -1.964) 3.718 12.669 ( -6.574 -2.795 7.804) 10.579 12.741 ( -4.229 -4.056 0.449) 5.877 12.877 ( -2.987 2.618 6.674) 7.766 12.915 ( 0.056 4.341 6.092) 7.481 13.153 ( -9.336 3.497 -1.848) 10.139 13.291 ( 1.341 1.147 -6.210) 6.456 13.386 ( 3.519 0.598 -6.422) 7.347 13.516 ( -3.429 -8.650 1.026) 9.361 13.630 ( 5.107 7.936 11.962) 15.237 13.848 ( 5.162 1.491 -1.350) 5.540 13.869 ( 7.004 -3.276 4.253) 8.825 13.944 ( 5.763 -0.152 -2.790) 6.405 14.018 ( 3.459 -0.605 -2.668) 4.410 14.125 ( -2.525 -0.126 -1.354) 2.868 14.127 ( -3.934 -0.894 -6.201) 7.398 14.297 ( 2.982 0.042 -5.800) 6.522 14.326 ( 2.387 2.448 -0.996) 3.562 14.463 ( -2.831 -6.162 -1.324) 6.909 14.519 ( 3.763 2.475 -2.691) 5.247 14.600 ( -3.651 1.529 -2.378) 4.617 14.796 ( 0.906 -0.067 2.990) 3.125 14.827 ( -4.455 -0.210 -2.294) 5.015 14.914 ( -0.232 -3.718 -3.625) 5.198 14.936 ( 1.048 -0.971 -4.077) 4.320 14.994 ( -1.123 -1.601 0.740) 2.091 15.086 ( 2.028 -2.317 2.880) 4.216 15.120 ( 2.669 -2.799 2.180) 4.440 15.143 ( 0.416 -3.666 1.430) 3.957 15.310 ( -1.168 4.416 -6.205) 7.705 15.421 ( 2.613 11.804 -2.421) 12.330 15.465 ( 1.675 1.044 -2.626) 3.285 15.611 ( -0.952 1.226 3.757) 4.065 15.654 ( 3.843 3.812 -0.768) 5.467 15.685 ( 3.064 -0.144 1.150) 3.276 15.856 ( -1.605 -5.420 3.667) 6.738 15.942 ( -3.521 2.046 1.226) 4.253 15.992 ( 3.845 -4.973 2.479) 6.757 16.149 ( -4.168 -1.099 1.680) 4.626 16.257 ( -1.926 3.883 5.922) 7.339 16.320 ( -0.093 -0.914 0.184) 0.937 16.441 ( -0.749 -1.810 -1.596) 2.527 16.463 ( -0.923 -0.842 3.498) 3.714 16.681 ( 4.411 3.602 -3.020) 6.446 16.798 ( 0.006 -1.973 -3.018) 3.606 17.539 ( -2.064 -0.496 1.105) 2.393 17.567 ( -3.047 -1.458 -0.925) 3.502 17.663 ( 0.103 3.817 2.295) 4.454 17.752 ( -3.395 -1.178 2.851) 4.587 18.389 ( -6.393 -1.668 2.432) 7.040 18.469 ( -1.283 -4.081 -1.789) 4.637 18.643 ( 5.454 4.577 -8.764) 11.291 18.694 ( 3.494 0.602 -1.163) 3.731 19.313 ( -7.648 0.956 -6.633) 10.169 19.494 ( -9.339 -4.531 -3.785) 11.048 19.798 ( -2.023 4.063 1.584) 4.808 19.807 ( 1.168 2.261 6.154) 6.659 20.015 ( -7.126 1.718 1.260) 7.438 20.222 ( -10.872 -8.762 -2.710) 14.224 20.764 ( 0.227 5.841 2.296) 6.280 20.950 ( -0.037 1.536 2.379) 2.832 21.100 ( 2.976 14.283 -2.832) 14.862 21.160 ( -0.165 3.966 -3.647) 5.390 21.334 ( 2.195 1.287 -6.682) 7.150 21.502 ( -0.401 1.520 -1.076) 1.905 21.580 ( -3.099 -0.749 3.839) 4.990 21.711 ( 8.047 -4.313 -5.860) 10.849 22.033 ( -3.355 1.393 5.720) 6.776 22.166 ( -1.695 -3.779 4.969) 6.469 22.484 ( -3.733 11.219 7.228) 13.859 22.912 ( 2.815 -5.971 -0.206) 6.605 23.064 ( 4.472 -0.181 -2.503) 5.128 23.221 ( 4.810 -7.296 -10.838) 13.922 24.312 ( 5.070 2.435 2.790) 6.279 24.387 ( 4.349 2.921 4.015) 6.601 24.545 ( 3.378 4.159 -10.443) 11.737 24.848 ( 2.696 -7.488 -19.172) 20.758 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -10.987 14.973 23.562) 30.001 1.306 ( -13.302 20.436 21.483) 32.498 1.777 ( -6.537 -8.012 10.086) 14.444 1.856 ( -6.739 3.672 13.744) 15.741 1.978 ( -2.518 -1.465 4.791) 5.607 2.086 ( -0.389 -3.532 1.536) 3.871 2.149 ( -2.283 4.529 7.598) 9.136 2.274 ( -1.674 3.965 3.228) 5.380 2.422 ( -5.819 -0.273 -0.517) 5.848 2.479 ( -2.929 -1.469 0.212) 3.284 2.578 ( -0.021 -0.375 -2.920) 2.944 2.634 ( -4.473 -0.213 -2.933) 5.353 2.709 ( -3.886 -0.316 4.074) 5.639 2.808 ( -4.730 2.396 2.742) 5.969 2.874 ( -0.223 -3.752 14.259) 14.746 3.043 ( -8.876 -2.450 6.423) 11.227 3.083 ( -6.229 0.529 12.844) 14.285 3.168 ( -3.779 4.734 9.506) 11.272 3.279 ( -6.303 -0.179 -0.301) 6.313 3.371 ( 1.905 0.193 1.880) 2.683 3.450 ( -4.995 -5.686 3.018) 8.148 3.494 ( -2.115 0.587 -3.599) 4.215 3.579 ( -4.936 -1.473 3.400) 6.172 3.737 ( -3.886 -4.356 -0.467) 5.856 3.813 ( -1.398 -1.760 0.684) 2.350 3.856 ( -2.340 -1.484 -5.054) 5.764 3.913 ( -3.272 1.484 -1.173) 3.780 4.021 ( 1.588 0.741 5.368) 5.647 4.086 ( 2.448 -1.450 12.130) 12.459 4.248 ( 7.950 0.944 -8.180) 11.446 4.265 ( 2.376 -7.075 4.978) 8.971 4.335 ( 2.796 -0.900 -2.676) 3.973 4.385 ( 0.366 -7.134 -0.808) 7.189 4.494 ( -3.488 -18.091 10.431) 21.172 4.853 ( 1.891 8.566 2.865) 9.228 5.078 ( 2.499 2.455 -1.733) 3.909 5.152 ( -4.727 -0.048 -6.062) 7.688 5.260 ( -0.320 -8.814 1.494) 8.946 5.330 ( -5.048 2.286 -5.841) 8.052 5.492 ( 1.172 3.301 -0.401) 3.526 5.546 ( -4.947 4.165 -8.677) 10.821 5.663 ( -0.630 5.014 -1.508) 5.274 5.735 ( -0.936 -0.246 3.726) 3.849 5.768 ( -4.931 3.038 -4.760) 7.497 5.929 ( -5.278 2.151 2.659) 6.289 5.948 ( 2.019 3.118 1.181) 3.898 6.019 ( 1.154 -3.286 -1.990) 4.011 6.071 ( 0.805 -5.412 -4.392) 7.016 6.195 ( -0.608 13.277 0.247) 13.293 6.274 ( 0.225 3.599 -3.171) 4.802 6.377 ( -0.296 5.105 2.902) 5.879 6.556 ( 1.926 3.845 4.037) 5.899 6.668 ( 8.736 5.599 -3.636) 10.994 6.782 ( 1.544 2.226 -5.078) 5.755 6.842 ( 1.352 1.202 9.773) 9.939 6.886 ( 0.628 0.265 0.826) 1.071 6.944 ( -0.998 -4.284 1.000) 4.511 7.077 ( 5.670 0.306 -5.746) 8.079 7.089 ( 2.090 -1.627 -7.331) 7.795 7.130 ( 1.495 -0.150 -6.817) 6.981 7.185 ( 1.604 2.298 2.602) 3.825 7.274 ( 2.137 4.198 0.000) 4.711 7.326 ( 1.737 4.722 -0.250) 5.037 7.373 ( 5.126 1.980 2.868) 6.198 7.424 ( 8.647 1.816 -6.200) 10.794 7.486 ( 0.859 -6.181 -1.600) 6.442 7.561 ( -1.615 -6.294 0.155) 6.499 7.617 ( 0.444 -7.638 -1.503) 7.797 7.774 ( -4.904 -7.093 0.211) 8.626 7.899 ( 4.039 -10.746 -2.207) 11.690 7.982 ( -2.473 2.253 -0.223) 3.353 8.022 ( 4.946 -3.320 4.460) 7.442 8.105 ( 7.388 3.993 -5.703) 10.151 8.184 ( 4.665 0.100 1.322) 4.849 8.261 ( 11.431 0.414 -0.131) 11.439 8.335 ( 0.652 0.685 -9.565) 9.612 8.391 ( 0.547 0.565 -4.438) 4.507 8.422 ( -4.643 -3.977 -1.269) 6.243 8.549 ( 2.637 5.646 -0.153) 6.233 8.658 ( 0.322 0.041 -6.667) 6.675 8.672 ( -5.047 0.212 -2.974) 5.862 8.747 ( -3.549 0.426 -1.813) 4.008 8.792 ( 7.950 2.755 -1.739) 8.591 8.866 ( 3.610 0.109 1.835) 4.051 8.923 ( -5.683 3.064 1.161) 6.560 9.048 ( 0.369 5.378 3.403) 6.375 9.074 ( -3.457 1.318 0.722) 3.770 9.242 ( -2.124 2.092 7.529) 8.098 9.325 ( -1.733 -4.196 -1.078) 4.666 9.354 ( -5.687 1.076 -5.779) 8.179 9.382 ( -0.874 -1.005 -5.184) 5.352 9.516 ( 1.201 -0.625 8.385) 8.494 9.698 ( -0.252 -3.689 13.847) 14.332 9.746 ( 9.418 -7.193 6.836) 13.681 9.894 ( 1.243 4.540 6.153) 7.747 9.930 ( 7.212 1.935 9.361) 11.974 10.155 ( 1.873 1.468 5.490) 5.983 10.196 ( 1.680 3.995 0.495) 4.362 10.267 ( -5.409 4.373 -2.837) 7.512 10.397 ( 0.857 2.544 -3.495) 4.407 10.448 ( -1.720 3.907 -0.632) 4.315 10.495 ( 2.646 -2.936 -2.228) 4.537 10.570 ( 2.323 -2.921 3.129) 4.871 10.633 ( -0.132 -5.562 -0.790) 5.619 10.756 ( 0.383 -2.221 0.687) 2.356 10.788 ( 1.398 0.520 -1.532) 2.138 10.930 ( 1.399 -7.193 7.208) 10.279 10.964 ( 0.151 -4.269 -0.554) 4.307 11.100 ( 1.029 -1.302 8.869) 9.023 11.178 ( -4.243 -0.769 -2.505) 4.987 11.225 ( -3.558 3.219 7.625) 9.009 11.309 ( 2.146 4.466 0.659) 4.998 11.345 ( 0.591 3.508 4.444) 5.692 11.503 ( 5.811 4.194 2.463) 7.578 11.598 ( 0.692 -2.283 -0.299) 2.404 11.682 ( -5.153 0.328 10.002) 11.257 11.758 ( 3.018 -2.368 1.860) 4.263 11.787 ( 5.493 -2.139 3.723) 6.972 11.958 ( -3.517 -3.221 3.195) 5.740 12.002 ( 4.065 -5.728 1.659) 7.217 12.046 ( 1.400 0.535 -2.302) 2.747 12.112 ( 2.309 -4.451 -1.529) 5.242 12.231 ( 0.198 -3.275 1.889) 3.786 12.324 ( -2.153 -3.018 0.446) 3.734 12.378 ( -0.932 0.172 1.605) 1.864 12.433 ( -0.424 -0.511 1.387) 1.538 12.490 ( 1.173 3.967 -1.327) 4.344 12.549 ( 2.655 1.060 5.780) 6.448 12.650 ( -3.069 -1.039 0.556) 3.287 12.721 ( -2.645 -2.949 1.183) 4.134 12.907 ( -7.511 1.335 8.344) 11.305 12.999 ( -3.747 -1.296 5.691) 6.937 13.054 ( -1.865 7.406 2.814) 8.139 13.307 ( 5.538 0.802 0.347) 5.606 13.428 ( -1.322 -7.268 -2.766) 7.888 13.450 ( 7.695 -3.538 -1.595) 8.619 13.840 ( -1.621 0.097 -9.939) 10.071 13.852 ( 4.447 0.946 -2.274) 5.084 13.896 ( -0.835 -1.843 -0.863) 2.200 13.907 ( 1.310 -2.462 -10.464) 10.830 13.954 ( -2.557 -2.366 -4.625) 5.791 13.992 ( -6.355 -2.074 -2.532) 7.148 14.086 ( 6.561 -1.204 -1.267) 6.790 14.212 ( -0.490 -3.904 -10.601) 11.308 14.346 ( -1.653 2.417 -5.554) 6.279 14.392 ( -1.752 -4.863 -1.081) 5.281 14.494 ( -0.926 2.945 -5.201) 6.048 14.520 ( 0.818 3.990 -2.305) 4.680 14.740 ( -2.754 -6.484 0.216) 7.048 14.787 ( -0.348 -1.356 -7.868) 7.992 14.866 ( -1.387 2.241 2.126) 3.386 14.939 ( 3.613 -3.076 -1.735) 5.052 15.005 ( -4.243 5.587 2.387) 7.410 15.077 ( -2.626 0.996 -0.410) 2.838 15.201 ( 2.248 -0.683 1.409) 2.739 15.227 ( 2.809 -0.935 1.020) 3.131 15.270 ( 3.762 0.212 -0.103) 3.770 15.409 ( -0.488 7.631 -3.061) 8.237 15.453 ( 2.096 -3.723 -1.369) 4.487 15.618 ( -1.428 3.685 3.193) 5.081 15.638 ( -0.835 -4.182 -2.385) 4.886 15.826 ( 3.607 -0.129 4.862) 6.055 15.890 ( 2.007 5.528 3.480) 6.834 15.964 ( -1.103 -2.576 4.336) 5.162 16.079 ( 2.050 -4.560 3.006) 5.834 16.096 ( -2.597 -1.537 0.405) 3.045 16.245 ( 1.567 2.360 -0.649) 2.906 16.342 ( -2.869 -3.970 -1.763) 5.206 16.392 ( -2.453 4.323 0.553) 5.001 16.526 ( 0.750 -3.132 1.487) 3.547 16.676 ( 2.238 2.667 -5.712) 6.690 16.727 ( -0.704 -0.626 -5.901) 5.975 17.441 ( -6.183 3.167 -6.803) 9.723 17.499 ( -2.636 -0.940 -1.916) 3.391 17.675 ( -0.147 2.970 -0.649) 3.044 17.731 ( -5.329 0.116 2.781) 6.012 18.314 ( -4.994 -2.172 3.772) 6.624 18.425 ( -1.786 -6.825 -1.448) 7.201 18.632 ( 5.638 8.486 -6.237) 11.945 18.715 ( 5.222 3.899 -3.944) 7.617 19.142 ( -7.223 1.443 0.386) 7.376 19.314 ( -5.062 -0.699 -3.493) 6.189 19.807 ( 0.608 3.055 2.885) 4.246 19.891 ( -1.147 2.336 6.532) 7.032 20.047 ( 2.865 -7.633 4.732) 9.427 20.161 ( -1.954 -8.558 9.528) 12.955 20.786 ( 1.049 6.622 -1.555) 6.882 20.897 ( -1.326 0.960 -5.232) 5.482 21.056 ( -1.714 5.330 -1.916) 5.918 21.210 ( 5.985 4.915 -0.191) 7.746 21.300 ( 2.812 6.799 -6.834) 10.042 21.481 ( 3.987 5.949 -3.172) 7.832 21.627 ( -0.134 0.389 5.668) 5.683 21.788 ( 9.029 -2.863 -1.518) 9.593 22.047 ( -5.716 -1.153 6.235) 8.537 22.130 ( -9.016 -4.898 2.124) 10.478 22.553 ( -0.764 6.146 5.516) 8.294 22.854 ( -5.940 -9.229 0.304) 10.980 23.083 ( 5.525 0.776 -9.943) 11.401 23.133 ( 0.821 -0.117 -9.154) 9.191 24.323 ( -3.210 3.880 -9.022) 10.332 24.352 ( -1.553 9.415 -13.468) 16.506 24.574 ( 8.584 -0.770 3.028) 9.135 24.690 ( 5.257 -0.241 -4.737) 7.081 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 2.204 -10.879 16.263) 19.690 1.607 ( 2.204 10.879 16.263) 19.690 1.853 ( 1.325 -13.230 14.990) 20.037 1.853 ( 1.325 13.230 14.990) 20.037 2.030 ( -0.616 -1.988 2.341) 3.133 2.030 ( -0.616 1.988 2.341) 3.133 2.279 ( -2.556 -3.912 -2.813) 5.455 2.279 ( -2.556 3.912 -2.813) 5.455 2.385 ( -2.438 -4.398 1.451) 5.233 2.385 ( -2.438 4.398 1.451) 5.233 2.499 ( -4.107 -2.572 -2.995) 5.697 2.499 ( -4.107 2.572 -2.995) 5.697 2.783 ( -1.445 -1.761 3.290) 4.002 2.783 ( -1.445 1.761 3.290) 4.002 2.841 ( -6.659 -6.588 0.215) 9.369 2.841 ( -6.659 6.588 0.215) 9.369 3.201 ( 0.650 -4.095 3.065) 5.156 3.201 ( 0.650 4.095 3.065) 5.156 3.381 ( -4.779 -3.497 -0.502) 5.943 3.381 ( -4.779 3.497 -0.502) 5.943 3.472 ( 2.244 -3.464 1.511) 4.395 3.472 ( 2.244 3.464 1.511) 4.395 3.593 ( -5.566 -7.521 6.790) 11.560 3.593 ( -5.566 7.521 6.790) 11.560 3.846 ( -2.404 -9.395 3.658) 10.364 3.846 ( -2.404 9.395 3.658) 10.364 3.926 ( -0.718 -15.793 11.021) 19.272 3.926 ( -0.718 15.793 11.021) 19.272 4.211 ( 2.215 -4.594 1.300) 5.263 4.211 ( 2.215 4.594 1.300) 5.263 4.310 ( 4.652 -3.651 -2.940) 6.604 4.310 ( 4.652 3.651 -2.940) 6.604 4.484 ( 2.730 -6.073 8.190) 10.555 4.484 ( 2.730 6.073 8.190) 10.555 5.023 ( -3.192 -0.819 -0.334) 3.312 5.023 ( -3.192 0.819 -0.334) 3.312 5.137 ( -1.277 -6.026 -2.590) 6.683 5.137 ( -1.277 6.026 -2.590) 6.683 5.358 ( 7.466 -9.773 1.219) 12.359 5.358 ( 7.466 9.773 1.219) 12.359 5.632 ( -3.441 -3.623 1.155) 5.128 5.632 ( -3.441 3.623 1.155) 5.128 5.725 ( 0.570 -2.228 -2.266) 3.229 5.725 ( 0.570 2.228 -2.266) 3.229 5.967 ( 0.270 -3.059 0.051) 3.071 5.967 ( 0.270 3.059 0.051) 3.071 6.020 ( 3.155 -0.470 2.788) 4.236 6.020 ( 3.155 0.470 2.788) 4.236 6.263 ( -3.071 -0.962 -0.136) 3.221 6.263 ( -3.071 0.962 -0.136) 3.221 6.559 ( -1.412 -5.551 2.294) 6.171 6.559 ( -1.412 5.551 2.294) 6.171 6.740 ( 1.721 -4.010 -4.693) 6.408 6.740 ( 1.721 4.010 -4.693) 6.408 6.840 ( -1.866 -4.749 -5.965) 7.850 6.840 ( -1.866 4.749 -5.965) 7.850 7.007 ( -3.089 -4.519 1.136) 5.591 7.007 ( -3.089 4.519 1.136) 5.591 7.127 ( -1.984 -4.568 -5.646) 7.528 7.127 ( -1.984 4.568 -5.646) 7.528 7.252 ( 4.135 -3.613 -0.093) 5.491 7.252 ( 4.135 3.613 -0.093) 5.491 7.386 ( 0.317 -6.730 -0.268) 6.743 7.386 ( 0.317 6.730 -0.268) 6.743 7.424 ( -2.570 -5.449 0.898) 6.091 7.424 ( -2.570 5.449 0.898) 6.091 7.619 ( 1.690 -2.388 -5.873) 6.561 7.619 ( 1.690 2.388 -5.873) 6.561 7.692 ( 5.067 -11.726 -0.371) 12.779 7.692 ( 5.067 11.726 -0.371) 12.779 7.928 ( -5.305 -1.865 -3.478) 6.612 7.928 ( -5.305 1.865 -3.478) 6.612 8.133 ( -0.413 -4.223 -11.570) 12.323 8.133 ( -0.413 4.223 -11.570) 12.323 8.281 ( -0.142 -4.034 -1.435) 4.284 8.281 ( -0.142 4.034 -1.435) 4.284 8.440 ( -7.384 -1.180 -8.431) 11.269 8.440 ( -7.384 1.180 -8.431) 11.269 8.582 ( 10.638 -7.772 9.370) 16.167 8.582 ( 10.638 7.772 9.370) 16.167 8.618 ( 1.787 -2.170 0.392) 2.838 8.618 ( 1.787 2.170 0.392) 2.838 8.877 ( -1.773 -2.328 -1.245) 3.180 8.877 ( -1.773 2.328 -1.245) 3.180 9.034 ( 1.373 -1.993 -1.572) 2.886 9.034 ( 1.373 1.993 -1.572) 2.886 9.150 ( -0.273 -4.635 3.672) 5.920 9.150 ( -0.273 4.635 3.672) 5.920 9.280 ( 6.109 -3.399 -8.025) 10.643 9.280 ( 6.109 3.399 -8.025) 10.643 9.549 ( -2.130 -6.273 7.592) 10.076 9.549 ( -2.130 6.273 7.592) 10.076 9.877 ( 3.663 -3.754 8.042) 9.601 9.877 ( 3.663 3.754 8.042) 9.601 10.004 ( -2.884 -5.130 2.274) 6.309 10.004 ( -2.884 5.130 2.274) 6.309 10.171 ( -0.240 -4.587 -1.578) 4.857 10.171 ( -0.240 4.587 -1.578) 4.857 10.402 ( 1.089 -3.974 -2.249) 4.695 10.402 ( 1.089 3.974 -2.249) 4.695 10.505 ( 5.030 -6.502 7.397) 11.058 10.505 ( 5.030 6.502 7.397) 11.058 10.681 ( 6.032 -1.656 4.847) 7.914 10.681 ( 6.032 1.656 4.847) 7.914 10.793 ( 3.764 -4.938 -2.002) 6.523 10.793 ( 3.764 4.938 -2.002) 6.523 10.968 ( 1.144 -3.152 3.032) 4.521 10.968 ( 1.144 3.152 3.032) 4.521 11.155 ( -4.177 -1.495 8.524) 9.610 11.155 ( -4.177 1.495 8.524) 9.610 11.347 ( -3.480 -3.189 7.996) 9.285 11.347 ( -3.480 3.189 7.996) 9.285 11.519 ( 5.962 -4.563 -2.799) 8.013 11.519 ( 5.962 4.563 -2.799) 8.013 11.622 ( 0.378 -5.019 -2.526) 5.632 11.622 ( 0.378 5.019 -2.526) 5.632 11.895 ( -3.115 -4.950 1.224) 5.975 11.895 ( -3.115 4.950 1.224) 5.975 11.945 ( -1.739 -4.193 10.285) 11.242 11.945 ( -1.739 4.193 10.285) 11.242 12.086 ( 1.405 -0.709 0.803) 1.767 12.086 ( 1.405 0.709 0.803) 1.767 12.208 ( -3.664 -2.799 5.493) 7.172 12.208 ( -3.664 2.799 5.493) 7.172 12.421 ( 0.213 -1.596 1.479) 2.186 12.421 ( 0.213 1.596 1.479) 2.186 12.570 ( -2.493 -2.106 1.886) 3.769 12.570 ( -2.493 2.106 1.886) 3.769 12.718 ( 4.193 -2.741 3.820) 6.300 12.718 ( 4.193 2.741 3.820) 6.300 12.896 ( -10.220 -6.162 4.130) 12.629 12.896 ( -10.220 6.162 4.130) 12.629 13.162 ( -1.873 -6.878 -0.906) 7.185 13.162 ( -1.873 6.878 -0.906) 7.185 13.484 ( 5.919 -4.259 -6.323) 9.651 13.484 ( 5.919 4.259 -6.323) 9.651 13.617 ( -5.463 -2.316 -8.227) 10.143 13.617 ( -5.463 2.316 -8.227) 10.143 13.804 ( -2.049 -0.587 -7.673) 7.964 13.804 ( -2.049 0.587 -7.673) 7.964 13.952 ( 3.209 -3.689 -0.892) 4.970 13.952 ( 3.209 3.689 -0.892) 4.970 14.095 ( 5.821 -2.234 -8.026) 10.163 14.095 ( 5.821 2.234 -8.026) 10.163 14.249 ( -5.231 -3.350 -1.998) 6.525 14.249 ( -5.231 3.350 -1.998) 6.525 14.579 ( 0.739 -2.551 -0.032) 2.656 14.579 ( 0.739 2.551 -0.032) 2.656 14.645 ( 0.635 -4.315 -3.987) 5.909 14.645 ( 0.635 4.315 -3.987) 5.909 14.928 ( 1.521 -3.454 0.324) 3.788 14.928 ( 1.521 3.454 0.324) 3.788 15.049 ( -2.249 -0.878 -1.481) 2.832 15.049 ( -2.249 0.878 -1.481) 2.832 15.156 ( -2.840 -2.030 -3.131) 4.689 15.156 ( -2.840 2.030 -3.131) 4.689 15.371 ( -0.307 -0.886 -1.582) 1.839 15.371 ( -0.307 0.886 -1.582) 1.839 15.513 ( 3.647 -3.440 1.786) 5.323 15.513 ( 3.647 3.440 1.786) 5.323 15.809 ( 0.700 -7.319 4.412) 8.575 15.809 ( 0.700 7.319 4.412) 8.575 16.015 ( -0.521 -4.470 -0.834) 4.577 16.015 ( -0.521 4.470 -0.834) 4.577 16.067 ( -0.885 -4.386 4.792) 6.556 16.067 ( -0.885 4.386 4.792) 6.556 16.253 ( -1.270 -3.667 -1.542) 4.176 16.253 ( -1.270 3.667 -1.542) 4.176 16.431 ( -3.797 -4.816 0.073) 6.133 16.431 ( -3.797 4.816 0.073) 6.133 16.651 ( 0.583 -1.630 -4.756) 5.061 16.651 ( 0.583 1.630 -4.756) 5.061 17.452 ( 2.411 -2.620 1.037) 3.709 17.452 ( 2.411 2.620 1.037) 3.709 17.661 ( -3.013 -1.210 -3.560) 4.818 17.661 ( -3.013 1.210 -3.560) 4.818 18.283 ( -3.982 -1.704 1.831) 4.702 18.283 ( -3.982 1.704 1.831) 4.702 18.757 ( 6.179 -5.004 -6.024) 9.975 18.757 ( 6.179 5.004 -6.024) 9.975 19.178 ( 0.234 -5.447 1.463) 5.645 19.178 ( 0.234 5.447 1.463) 5.645 19.889 ( -1.138 -5.371 -0.189) 5.493 19.889 ( -1.138 5.371 -0.189) 5.493 20.193 ( 3.052 -6.668 13.270) 15.161 20.193 ( 3.052 6.668 13.270) 15.161 20.810 ( -0.886 -2.402 -4.929) 5.554 20.810 ( -0.886 2.402 -4.929) 5.554 21.122 ( 1.026 -5.248 -2.908) 6.087 21.122 ( 1.026 5.248 -2.908) 6.087 21.456 ( -0.348 -6.966 -4.336) 8.213 21.456 ( -0.348 6.966 -4.336) 8.213 21.822 ( 3.267 -8.576 2.849) 9.610 21.822 ( 3.267 8.576 2.849) 9.610 21.971 ( -3.913 -0.465 1.333) 4.160 21.971 ( -3.913 0.465 1.333) 4.160 22.730 ( 0.450 -9.142 4.422) 10.165 22.730 ( 0.450 9.142 4.422) 10.165 22.991 ( -0.670 -2.733 -11.762) 12.094 22.991 ( -0.670 2.733 -11.762) 12.094 24.206 ( -2.705 -3.309 -7.232) 8.400 24.206 ( -2.705 3.309 -7.232) 8.400 24.753 ( 6.858 -2.189 -3.066) 7.824 24.753 ( 6.858 2.189 -3.066) 7.824 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.181 -5.383 11.963) 14.956 1.894 ( 7.181 5.383 11.963) 14.956 2.036 ( 3.992 -4.880 4.162) 7.555 2.036 ( 3.992 4.880 4.162) 7.555 2.084 ( 3.276 -3.220 4.726) 6.591 2.084 ( 3.276 3.220 4.726) 6.591 2.211 ( 0.762 -2.784 -3.216) 4.321 2.211 ( 0.762 2.784 -3.216) 4.321 2.343 ( -1.607 -3.248 0.722) 3.695 2.343 ( -1.607 3.248 0.722) 3.695 2.516 ( 3.656 -2.926 3.491) 5.841 2.516 ( 3.656 2.926 3.491) 5.841 2.735 ( -5.176 -7.734 2.979) 9.772 2.735 ( -5.176 7.734 2.979) 9.772 2.862 ( 4.269 -5.253 2.980) 7.396 2.862 ( 4.269 5.253 2.980) 7.396 3.201 ( -0.246 -3.425 -0.697) 3.504 3.201 ( -0.246 3.425 -0.697) 3.504 3.365 ( -1.012 -3.515 1.641) 4.010 3.365 ( -1.012 3.515 1.641) 4.010 3.464 ( -1.190 -4.807 -0.115) 4.954 3.464 ( -1.190 4.807 -0.115) 4.954 3.630 ( -1.294 -7.258 5.583) 9.248 3.630 ( -1.294 7.258 5.583) 9.248 3.818 ( 2.565 -9.267 -2.611) 9.963 3.818 ( 2.565 9.267 -2.611) 9.963 4.098 ( 0.733 -1.213 7.795) 7.922 4.098 ( 0.733 1.213 7.795) 7.922 4.255 ( 7.144 -1.909 -6.596) 9.909 4.255 ( 7.144 1.909 -6.596) 9.909 4.330 ( 0.128 -2.714 1.470) 3.089 4.330 ( 0.128 2.714 1.470) 3.089 4.597 ( -0.081 -11.302 5.164) 12.426 4.597 ( -0.081 11.302 5.164) 12.426 4.956 ( -7.084 -3.955 6.799) 10.585 4.956 ( -7.084 3.955 6.799) 10.585 5.124 ( 1.279 -2.888 3.402) 4.642 5.124 ( 1.279 2.888 3.402) 4.642 5.520 ( -2.028 -4.126 1.952) 4.995 5.520 ( -2.028 4.126 1.952) 4.995 5.576 ( 1.309 -4.609 0.711) 4.843 5.576 ( 1.309 4.609 0.711) 4.843 5.783 ( 6.430 -4.291 1.259) 7.832 5.783 ( 6.430 4.291 1.259) 7.832 5.903 ( -3.845 -1.714 -5.313) 6.778 5.903 ( -3.845 1.714 -5.313) 6.778 6.107 ( 2.322 -2.065 2.270) 3.848 6.107 ( 2.322 2.065 2.270) 3.848 6.271 ( 0.868 -2.346 1.636) 2.989 6.271 ( 0.868 2.346 1.636) 2.989 6.575 ( -4.172 -10.556 -12.182) 16.650 6.575 ( -4.172 10.556 -12.182) 16.650 6.591 ( -3.170 -5.389 8.380) 10.455 6.591 ( -3.170 5.389 8.380) 10.455 6.758 ( -4.016 -9.639 -5.468) 11.788 6.758 ( -4.016 9.639 -5.468) 11.788 6.946 ( -6.315 -2.446 0.797) 6.819 6.946 ( -6.315 2.446 0.797) 6.819 7.057 ( -2.036 -2.992 4.560) 5.821 7.057 ( -2.036 2.992 4.560) 5.821 7.236 ( -9.681 -6.519 -7.301) 13.767 7.236 ( -9.681 6.519 -7.301) 13.767 7.309 ( 0.467 -2.656 -0.964) 2.863 7.309 ( 0.467 2.656 -0.964) 2.863 7.460 ( -0.359 -5.335 -6.592) 8.488 7.460 ( -0.359 5.335 -6.592) 8.488 7.495 ( -0.080 -5.889 1.270) 6.024 7.495 ( -0.080 5.889 1.270) 6.024 7.639 ( -4.831 -7.132 -5.350) 10.140 7.639 ( -4.831 7.132 -5.350) 10.140 7.810 ( -3.019 -7.750 1.107) 8.391 7.810 ( -3.019 7.750 1.107) 8.391 8.110 ( -1.698 -3.206 -2.787) 4.575 8.110 ( -1.698 3.206 -2.787) 4.575 8.225 ( 7.088 -0.755 -3.008) 7.737 8.225 ( 7.088 0.755 -3.008) 7.737 8.401 ( 6.021 -4.110 -1.354) 7.415 8.401 ( 6.021 4.110 -1.354) 7.415 8.630 ( 0.924 -5.092 -0.195) 5.178 8.630 ( 0.924 5.092 -0.195) 5.178 8.754 ( -2.738 -2.700 -0.216) 3.851 8.754 ( -2.738 2.700 -0.216) 3.851 8.912 ( 4.453 -3.014 3.617) 6.480 8.912 ( 4.453 3.014 3.617) 6.480 9.040 ( 5.428 -3.942 -1.948) 6.986 9.040 ( 5.428 3.942 -1.948) 6.986 9.134 ( -3.637 -1.758 -4.201) 5.828 9.134 ( -3.637 1.758 -4.201) 5.828 9.283 ( 5.318 -1.655 -4.650) 7.256 9.283 ( 5.318 1.655 -4.650) 7.256 9.580 ( -4.362 -3.425 3.365) 6.487 9.580 ( -4.362 3.425 3.365) 6.487 9.849 ( -0.225 -2.637 -6.504) 7.022 9.849 ( -0.225 2.637 -6.504) 7.022 9.985 ( -8.382 -4.873 6.464) 11.653 9.985 ( -8.382 4.873 6.464) 11.653 10.214 ( 5.831 -11.128 -0.770) 12.587 10.214 ( 5.831 11.128 -0.770) 12.587 10.471 ( 5.146 -2.522 3.009) 6.473 10.471 ( 5.146 2.522 3.009) 6.473 10.690 ( -0.267 -4.391 3.659) 5.722 10.690 ( -0.267 4.391 3.659) 5.722 10.719 ( -0.839 -1.087 6.305) 6.453 10.719 ( -0.839 1.087 6.305) 6.453 10.881 ( 7.718 -3.913 -3.193) 9.224 10.881 ( 7.718 3.913 -3.193) 9.224 10.926 ( -3.176 -1.041 1.456) 3.645 10.926 ( -3.176 1.041 1.456) 3.645 11.219 ( -0.494 -5.145 3.134) 6.045 11.219 ( -0.494 5.145 3.134) 6.045 11.406 ( -3.663 -4.500 4.266) 7.202 11.406 ( -3.663 4.500 4.266) 7.202 11.490 ( -0.442 -2.226 0.881) 2.434 11.490 ( -0.442 2.226 0.881) 2.434 11.686 ( 5.643 -6.137 1.097) 8.409 11.686 ( 5.643 6.137 1.097) 8.409 11.841 ( -2.105 -8.831 -2.559) 9.432 11.841 ( -2.105 8.831 -2.559) 9.432 11.962 ( -6.314 -5.592 6.504) 10.651 11.962 ( -6.314 5.592 6.504) 10.651 12.099 ( 0.852 -4.581 1.418) 4.871 12.099 ( 0.852 4.581 1.418) 4.871 12.335 ( 2.967 -2.914 6.624) 7.821 12.335 ( 2.967 2.914 6.624) 7.821 12.430 ( -0.615 -3.905 -0.061) 3.953 12.430 ( -0.615 3.905 -0.061) 3.953 12.576 ( -4.382 -4.709 5.120) 8.221 12.576 ( -4.382 4.709 5.119) 8.221 12.752 ( -2.978 -6.630 1.318) 7.387 12.752 ( -2.978 6.630 1.318) 7.387 12.861 ( 2.116 -1.323 2.922) 3.843 12.861 ( 2.116 1.323 2.922) 3.843 13.174 ( 2.456 -2.971 2.157) 4.418 13.174 ( 2.456 2.971 2.157) 4.418 13.304 ( -5.911 -1.819 -10.804) 12.449 13.304 ( -5.911 1.819 -10.804) 12.449 13.537 ( -1.228 -1.890 -4.796) 5.299 13.537 ( -1.228 1.890 -4.796) 5.299 13.704 ( -0.897 -3.885 -5.772) 7.015 13.704 ( -0.897 3.885 -5.772) 7.015 13.984 ( 5.707 -2.011 -4.895) 7.783 13.984 ( 5.707 2.011 -4.895) 7.783 14.089 ( -0.279 -3.452 -4.233) 5.469 14.089 ( -0.279 3.452 -4.233) 5.469 14.239 ( 5.795 -2.454 4.719) 7.866 14.239 ( 5.795 2.454 4.719) 7.866 14.523 ( -5.110 -5.303 -3.291) 8.066 14.523 ( -5.110 5.303 -3.291) 8.066 14.642 ( 2.381 -7.351 -0.534) 7.745 14.642 ( 2.381 7.351 -0.534) 7.745 14.927 ( -3.094 -4.849 -2.069) 6.113 14.927 ( -3.094 4.849 -2.069) 6.113 15.019 ( 1.446 -2.948 2.169) 3.935 15.019 ( 1.446 2.948 2.169) 3.935 15.143 ( 4.518 -4.272 -1.399) 6.373 15.143 ( 4.518 4.272 -1.399) 6.373 15.325 ( -1.726 -2.448 -1.180) 3.220 15.325 ( -1.726 2.448 -1.180) 3.220 15.575 ( 0.540 -1.900 0.351) 2.006 15.575 ( 0.540 1.900 0.351) 2.006 15.872 ( -2.021 -5.734 3.193) 6.867 15.872 ( -2.021 5.734 3.193) 6.867 15.956 ( -1.204 -5.884 0.218) 6.010 15.956 ( -1.204 5.884 0.218) 6.010 16.136 ( 1.104 -1.822 3.790) 4.347 16.136 ( 1.104 1.822 3.790) 4.347 16.218 ( -0.525 -6.080 -0.297) 6.110 16.218 ( -0.525 6.080 -0.297) 6.110 16.386 ( -1.900 -3.272 -0.641) 3.837 16.386 ( -1.900 3.272 -0.641) 3.837 16.598 ( -1.983 -1.963 -2.401) 3.681 16.598 ( -1.983 1.963 -2.401) 3.681 17.513 ( -0.860 -3.972 -2.046) 4.550 17.513 ( -0.860 3.972 -2.046) 4.550 17.616 ( 6.294 -3.708 0.930) 7.364 17.616 ( 6.294 3.708 0.930) 7.364 18.250 ( -3.497 -0.710 1.903) 4.044 18.250 ( -3.497 0.710 1.903) 4.044 18.756 ( 2.957 -6.567 -4.976) 8.753 18.756 ( 2.957 6.567 -4.976) 8.753 19.232 ( 4.899 -6.752 -0.143) 8.343 19.232 ( 4.899 6.752 -0.143) 8.343 19.861 ( -2.369 -4.817 0.227) 5.373 19.861 ( -2.369 4.817 0.227) 5.373 20.347 ( -3.971 -8.372 9.007) 12.922 20.347 ( -3.971 8.372 9.007) 12.922 20.731 ( 0.779 -2.085 -5.985) 6.386 20.731 ( 0.779 2.085 -5.985) 6.386 21.103 ( 0.559 -2.521 -1.805) 3.151 21.103 ( 0.559 2.521 -1.805) 3.151 21.393 ( -1.223 -2.163 -3.122) 3.990 21.393 ( -1.223 2.163 -3.122) 3.990 21.777 ( -5.814 -5.178 -0.603) 7.809 21.777 ( -5.814 5.178 -0.603) 7.809 22.082 ( 9.417 -5.609 3.666) 11.558 22.082 ( 9.417 5.609 3.666) 11.558 22.700 ( -8.240 -6.767 -0.888) 10.700 22.700 ( -8.240 6.767 -0.888) 10.700 22.932 ( 7.004 -8.515 -3.296) 11.507 22.932 ( 7.004 8.515 -3.296) 11.507 24.137 ( 0.844 -4.278 -2.168) 4.870 24.137 ( 0.844 4.278 -2.168) 4.870 24.754 ( 0.181 -2.796 -4.642) 5.422 24.754 ( 0.181 2.796 -4.642) 5.422 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.253 -2.852 2.694) 4.119 2.034 ( 1.253 2.852 2.694) 4.119 2.096 ( 5.209 -3.255 -3.282) 6.964 2.096 ( 5.209 3.255 -3.282) 6.964 2.160 ( 6.173 -2.132 -2.664) 7.053 2.160 ( 6.173 2.132 -2.664) 7.053 2.270 ( 4.213 -1.309 2.082) 4.878 2.270 ( 4.213 1.309 2.082) 4.878 2.361 ( -0.030 -4.525 2.176) 5.021 2.361 ( -0.030 4.525 2.176) 5.021 2.581 ( -0.170 -1.752 0.221) 1.774 2.581 ( -0.170 1.752 0.221) 1.774 2.830 ( 5.782 -8.105 10.573) 14.523 2.830 ( 5.782 8.105 10.573) 14.523 3.004 ( 6.086 -10.579 3.570) 12.716 3.004 ( 6.086 10.579 3.570) 12.716 3.208 ( -0.143 -6.325 1.518) 6.506 3.208 ( -0.143 6.325 1.518) 6.506 3.363 ( 1.037 -5.723 -0.363) 5.828 3.363 ( 1.037 5.723 -0.363) 5.828 3.480 ( -0.708 -2.698 5.597) 6.253 3.480 ( -0.708 2.698 5.597) 6.253 3.648 ( -1.413 -5.921 2.111) 6.442 3.648 ( -1.413 5.921 2.111) 6.442 3.884 ( 7.167 -2.408 -1.493) 7.707 3.884 ( 7.167 2.408 -1.493) 7.707 4.161 ( 6.849 -1.834 -5.456) 8.947 4.161 ( 6.849 1.834 -5.456) 8.947 4.277 ( -2.208 -2.631 2.257) 4.110 4.277 ( -2.208 2.631 2.257) 4.110 4.302 ( -3.276 -3.711 1.301) 5.118 4.302 ( -3.276 3.711 1.301) 5.118 4.584 ( -3.882 -4.424 1.112) 5.990 4.584 ( -3.882 4.424 1.112) 5.990 4.967 ( -0.031 -3.831 2.024) 4.333 4.967 ( -0.031 3.831 2.024) 4.333 5.314 ( 6.590 -8.342 11.661) 15.780 5.314 ( 6.590 8.342 11.661) 15.780 5.383 ( -4.860 -3.547 -6.199) 8.639 5.383 ( -4.860 3.547 -6.199) 8.639 5.625 ( 2.203 -1.575 -5.918) 6.508 5.625 ( 2.203 1.575 -5.918) 6.508 5.761 ( -4.666 -2.545 -1.689) 5.577 5.761 ( -4.666 2.545 -1.689) 5.577 5.871 ( -0.753 -2.564 1.700) 3.167 5.871 ( -0.753 2.564 1.700) 3.167 6.147 ( 1.257 -1.944 0.977) 2.513 6.147 ( 1.257 1.944 0.977) 2.513 6.243 ( -5.022 -5.462 0.757) 7.458 6.243 ( -5.022 5.462 0.757) 7.458 6.382 ( -1.867 -8.456 -5.660) 10.346 6.382 ( -1.867 8.456 -5.660) 10.346 6.560 ( -6.166 -6.272 -4.579) 9.916 6.560 ( -6.166 6.272 -4.579) 9.916 6.710 ( -0.410 -4.803 3.630) 6.035 6.710 ( -0.410 4.803 3.630) 6.035 6.877 ( -8.693 -4.350 0.193) 9.722 6.877 ( -8.693 4.350 0.193) 9.722 6.941 ( -10.777 -4.159 0.948) 11.590 6.941 ( -10.777 4.159 0.948) 11.590 7.176 ( -1.314 -4.033 0.392) 4.260 7.176 ( -1.314 4.033 0.392) 4.260 7.284 ( -0.620 -4.490 0.876) 4.616 7.284 ( -0.620 4.490 0.876) 4.616 7.394 ( 3.054 -1.165 1.483) 3.589 7.394 ( 3.054 1.165 1.483) 3.589 7.512 ( 1.329 -3.154 -3.369) 4.803 7.512 ( 1.329 3.154 -3.369) 4.803 7.640 ( 3.546 -2.216 1.581) 4.470 7.640 ( 3.546 2.216 1.581) 4.470 7.830 ( -2.406 -3.420 7.724) 8.783 7.830 ( -2.406 3.420 7.724) 8.783 8.002 ( -2.986 -3.364 -1.710) 4.812 8.002 ( -2.986 3.364 -1.710) 4.812 8.360 ( 6.060 -4.122 0.171) 7.331 8.360 ( 6.060 4.122 0.171) 7.331 8.418 ( -4.944 -3.516 -3.447) 6.978 8.418 ( -4.944 3.516 -3.447) 6.978 8.600 ( -1.293 -2.670 -2.185) 3.685 8.600 ( -1.293 2.670 -2.185) 3.685 8.633 ( -6.168 -4.982 -5.625) 9.721 8.633 ( -6.168 4.982 -5.625) 9.721 8.917 ( 2.000 -6.841 -2.957) 7.716 8.917 ( 2.000 6.841 -2.957) 7.716 9.038 ( 2.256 -3.468 -3.697) 5.548 9.038 ( 2.256 3.468 -3.697) 5.548 9.177 ( 6.966 -2.419 0.765) 7.414 9.177 ( 6.966 2.419 0.765) 7.414 9.322 ( 3.820 -3.669 0.220) 5.301 9.322 ( 3.820 3.669 0.220) 5.301 9.509 ( -2.108 -6.769 -1.391) 7.225 9.509 ( -2.108 6.769 -1.391) 7.225 9.836 ( -5.234 -1.759 4.727) 7.269 9.836 ( -5.234 1.759 4.727) 7.269 9.961 ( 0.049 -5.243 3.148) 6.115 9.961 ( 0.049 5.243 3.148) 6.115 10.212 ( -2.280 -8.446 -4.779) 9.969 10.212 ( -2.280 8.446 -4.779) 9.969 10.496 ( -1.119 -3.287 -2.461) 4.256 10.496 ( -1.119 3.287 -2.461) 4.256 10.674 ( 4.746 -3.903 -7.539) 9.726 10.674 ( 4.746 3.903 -7.539) 9.726 10.761 ( -3.218 -7.752 5.600) 10.090 10.761 ( -3.218 7.752 5.600) 10.090 10.928 ( -0.904 -4.242 3.929) 5.852 10.928 ( -0.904 4.242 3.929) 5.852 11.032 ( 9.821 -1.662 0.832) 9.995 11.032 ( 9.821 1.662 0.832) 9.995 11.196 ( -1.040 -4.303 -4.094) 6.029 11.196 ( -1.040 4.303 -4.094) 6.029 11.348 ( -1.738 -2.540 -1.103) 3.269 11.348 ( -1.738 2.540 -1.103) 3.269 11.522 ( -1.906 -2.683 -0.184) 3.296 11.522 ( -1.906 2.683 -0.184) 3.296 11.741 ( -0.888 -1.647 2.108) 2.818 11.741 ( -0.888 1.647 2.108) 2.818 11.816 ( 1.677 -10.061 -1.369) 10.292 11.816 ( 1.677 10.061 -1.369) 10.292 11.961 ( -1.604 -2.380 2.153) 3.588 11.961 ( -1.604 2.380 2.153) 3.588 12.135 ( -0.314 -4.825 1.197) 4.981 12.135 ( -0.314 4.825 1.197) 4.981 12.314 ( -2.932 -6.208 -3.479) 7.697 12.314 ( -2.932 6.208 -3.479) 7.697 12.449 ( -1.190 -6.987 2.548) 7.532 12.449 ( -1.190 6.987 2.548) 7.532 12.518 ( -6.500 -0.472 1.708) 6.738 12.518 ( -6.500 0.472 1.708) 6.738 12.803 ( 2.282 -6.203 3.659) 7.555 12.803 ( 2.282 6.203 3.659) 7.555 12.971 ( 1.912 -4.643 -0.155) 5.024 12.971 ( 1.912 4.643 -0.155) 5.024 13.078 ( 0.326 -2.588 -2.416) 3.555 13.078 ( 0.326 2.588 -2.416) 3.555 13.324 ( 3.683 -1.382 3.224) 5.086 13.324 ( 3.683 1.382 3.224) 5.086 13.463 ( -2.157 -1.492 1.331) 2.941 13.463 ( -2.157 1.492 1.331) 2.941 13.631 ( -3.303 -1.077 -0.590) 3.524 13.631 ( -3.303 1.077 -0.590) 3.524 13.984 ( 1.561 -0.953 -5.250) 5.560 13.984 ( 1.561 0.953 -5.250) 5.560 14.063 ( 6.098 -3.803 -2.623) 7.650 14.063 ( 6.098 3.803 -2.623) 7.650 14.349 ( -0.280 -1.991 -1.792) 2.693 14.349 ( -0.280 1.991 -1.792) 2.693 14.493 ( 3.630 -3.858 6.121) 8.095 14.493 ( 3.630 3.858 6.121) 8.095 14.658 ( 0.080 -6.982 -0.459) 6.998 14.658 ( 0.080 6.982 -0.459) 6.998 14.854 ( -3.422 -7.566 -1.047) 8.369 14.854 ( -3.422 7.566 -1.047) 8.369 15.068 ( -1.246 -3.289 2.717) 4.444 15.068 ( -1.246 3.289 2.717) 4.444 15.201 ( 3.713 -4.187 -0.998) 5.684 15.201 ( 3.713 4.187 -0.998) 5.684 15.314 ( 1.832 -2.355 0.121) 2.986 15.314 ( 1.832 2.355 0.121) 2.986 15.559 ( 0.175 -4.420 -1.939) 4.830 15.559 ( 0.175 4.420 -1.939) 4.830 15.801 ( -4.976 -4.873 -0.550) 6.986 15.801 ( -4.976 4.873 -0.550) 6.986 16.032 ( 0.748 -2.538 4.134) 4.908 16.032 ( 0.748 2.538 4.134) 4.908 16.149 ( 0.428 -2.500 -0.018) 2.537 16.149 ( 0.428 2.500 -0.018) 2.537 16.242 ( 1.191 -5.311 -0.983) 5.531 16.242 ( 1.191 5.311 -0.983) 5.531 16.359 ( -1.721 -2.480 1.684) 3.457 16.359 ( -1.721 2.480 1.684) 3.457 16.552 ( -1.308 -2.464 0.418) 2.821 16.552 ( -1.308 2.464 0.418) 2.821 17.446 ( -0.183 -3.752 -3.260) 4.973 17.446 ( -0.183 3.752 -3.260) 4.973 17.787 ( 8.727 -6.884 3.962) 11.800 17.787 ( 8.727 6.884 3.962) 11.800 18.236 ( -2.352 -1.758 2.962) 4.171 18.236 ( -2.352 1.758 2.962) 4.171 18.722 ( 0.872 -6.048 -4.677) 7.695 18.722 ( 0.872 6.048 -4.677) 7.695 19.296 ( 4.632 -8.370 -1.109) 9.630 19.296 ( 4.632 8.370 -1.109) 9.630 19.842 ( -1.580 -2.705 1.926) 3.677 19.842 ( -1.580 2.705 1.926) 3.677 20.282 ( -9.639 -10.872 0.072) 14.530 20.282 ( -9.639 10.872 0.072) 14.530 20.713 ( 2.366 -2.422 -1.488) 3.699 20.713 ( 2.366 2.422 -1.488) 3.699 21.103 ( 0.734 -3.096 0.525) 3.225 21.103 ( 0.734 3.096 0.525) 3.225 21.333 ( -4.046 -4.267 -0.832) 5.939 21.333 ( -4.046 4.267 -0.832) 5.939 21.711 ( -0.148 -6.590 -2.768) 7.150 21.711 ( -0.148 6.590 -2.768) 7.150 22.242 ( 5.373 -6.023 2.272) 8.385 22.242 ( 5.373 6.023 2.272) 8.385 22.590 ( -5.478 -5.907 2.191) 8.349 22.590 ( -5.478 5.907 2.191) 8.349 23.010 ( 6.068 -9.773 -1.639) 11.620 23.010 ( 6.068 9.773 -1.639) 11.620 24.163 ( 3.326 -4.401 0.964) 5.600 24.163 ( 3.326 4.401 0.964) 5.600 24.664 ( -3.464 -3.126 -4.811) 6.702 24.664 ( -3.464 3.126 -4.811) 6.702 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.022 -0.815 -3.484) 3.578 2.035 ( 0.022 0.815 -3.484) 3.578 2.115 ( 4.251 -1.632 -4.236) 6.219 2.115 ( 4.251 1.632 -4.236) 6.219 2.243 ( 8.863 -3.104 -3.951) 10.188 2.243 ( 8.863 3.104 -3.951) 10.188 2.317 ( 1.232 -6.009 -0.959) 6.209 2.317 ( 1.232 6.009 -0.959) 6.209 2.393 ( -0.088 -1.816 3.604) 4.037 2.393 ( -0.088 1.816 3.604) 4.037 2.584 ( -0.354 -3.255 2.151) 3.918 2.584 ( -0.354 3.255 2.151) 3.918 2.981 ( -4.575 -4.274 1.960) 6.560 2.981 ( -4.575 4.274 1.960) 6.560 3.015 ( -1.616 -7.066 0.541) 7.269 3.015 ( -1.616 7.066 0.541) 7.269 3.199 ( -2.014 -5.486 -0.964) 5.923 3.199 ( -2.014 5.486 -0.964) 5.923 3.435 ( 7.197 -8.250 1.045) 10.998 3.435 ( 7.197 8.250 1.045) 10.998 3.584 ( 1.955 -0.938 4.686) 5.164 3.584 ( 1.955 0.938 4.686) 5.164 3.693 ( 1.425 -0.936 4.317) 4.641 3.693 ( 1.425 0.936 4.317) 4.641 3.896 ( -1.245 -1.663 -4.987) 5.403 3.896 ( -1.245 1.663 -4.987) 5.403 4.106 ( -3.593 -3.484 -3.746) 6.251 4.106 ( -3.593 3.484 -3.746) 6.251 4.235 ( 5.559 -3.712 -5.245) 8.496 4.235 ( 5.559 3.712 -5.245) 8.496 4.383 ( 5.330 -3.711 5.006) 8.200 4.383 ( 5.330 3.711 5.006) 8.200 4.663 ( -1.884 -6.058 19.305) 20.321 4.663 ( -1.884 6.058 19.305) 20.321 4.998 ( 0.711 -1.565 1.382) 2.205 4.998 ( 0.711 1.565 1.382) 2.205 5.254 ( 2.053 -4.224 -9.136) 10.273 5.254 ( 2.053 4.224 -9.136) 10.273 5.440 ( -3.225 -4.575 0.426) 5.613 5.440 ( -3.225 4.575 0.426) 5.613 5.572 ( 6.561 -3.350 -6.394) 9.755 5.572 ( 6.561 3.350 -6.394) 9.755 5.730 ( -1.339 -3.809 3.428) 5.297 5.730 ( -1.339 3.809 3.428) 5.297 5.881 ( -0.114 -2.992 1.373) 3.294 5.881 ( -0.114 2.992 1.373) 3.294 6.145 ( -2.905 -5.668 -2.539) 6.856 6.145 ( -2.905 5.668 -2.539) 6.856 6.170 ( -0.480 -4.422 -2.178) 4.953 6.170 ( -0.480 4.422 -2.178) 4.953 6.334 ( -0.219 -4.696 -0.095) 4.702 6.334 ( -0.219 4.696 -0.095) 4.702 6.511 ( -1.278 -4.364 0.972) 4.650 6.511 ( -1.278 4.364 0.972) 4.650 6.675 ( -8.498 -2.990 -0.022) 9.009 6.675 ( -8.498 2.990 -0.022) 9.009 6.729 ( -7.883 -2.547 3.019) 8.818 6.729 ( -7.883 2.547 3.019) 8.818 6.931 ( 0.212 -2.030 6.020) 6.356 6.931 ( 0.212 2.030 6.020) 6.356 7.087 ( -4.925 -2.529 -0.132) 5.538 7.087 ( -4.925 2.529 -0.132) 5.538 7.344 ( 1.828 -5.121 2.746) 6.091 7.344 ( 1.828 5.121 2.746) 6.091 7.413 ( -2.966 -9.048 -3.915) 10.295 7.413 ( -2.966 9.048 -3.915) 10.295 7.484 ( -1.575 -6.289 -1.845) 6.740 7.484 ( -1.575 6.289 -1.845) 6.740 7.670 ( 0.661 -3.511 -0.439) 3.600 7.670 ( 0.661 3.511 -0.439) 3.600 7.926 ( -4.934 -5.021 6.024) 9.265 7.926 ( -4.934 5.021 6.024) 9.265 7.954 ( 0.327 -1.544 0.445) 1.640 7.954 ( 0.327 1.544 0.445) 1.640 8.228 ( -4.368 -3.839 -0.316) 5.824 8.228 ( -4.368 3.839 -0.316) 5.824 8.384 ( -0.641 -1.357 -2.034) 2.528 8.384 ( -0.641 1.357 -2.034) 2.528 8.533 ( 2.030 -2.387 -1.454) 3.455 8.533 ( 2.030 2.387 -1.454) 3.455 8.632 ( 2.719 -3.852 1.158) 4.855 8.632 ( 2.719 3.852 1.158) 4.855 8.946 ( 3.533 -7.430 -0.451) 8.240 8.946 ( 3.533 7.430 -0.451) 8.240 9.079 ( 4.031 -4.012 -0.542) 5.713 9.079 ( 4.031 4.012 -0.542) 5.713 9.227 ( 2.032 -2.116 -0.166) 2.939 9.227 ( 2.032 2.116 -0.166) 2.939 9.356 ( -2.474 -0.622 -1.573) 2.997 9.356 ( -2.474 0.622 -1.573) 2.997 9.529 ( 4.817 -3.967 1.746) 6.480 9.529 ( 4.817 3.967 1.746) 6.480 9.816 ( -1.218 -0.832 3.669) 3.954 9.816 ( -1.218 0.832 3.669) 3.954 10.010 ( -3.468 -3.765 4.621) 6.896 10.010 ( -3.468 3.765 4.621) 6.896 10.144 ( -0.144 -4.753 -0.598) 4.792 10.144 ( -0.144 4.753 -0.598) 4.792 10.421 ( 0.142 -4.031 -7.125) 8.188 10.421 ( 0.142 4.031 -7.125) 8.188 10.641 ( 5.568 -6.574 -8.709) 12.250 10.641 ( 5.568 6.574 -8.709) 12.250 10.763 ( 0.965 -7.210 -6.532) 9.776 10.763 ( 0.965 7.210 -6.532) 9.776 10.922 ( -5.170 -5.254 3.057) 7.980 10.922 ( -5.170 5.254 3.057) 7.980 11.075 ( -4.397 -2.414 -2.448) 5.581 11.075 ( -4.397 2.414 -2.448) 5.581 11.144 ( 6.250 -0.195 -6.018) 8.678 11.144 ( 6.250 0.195 -6.018) 8.678 11.370 ( 3.189 -1.709 -3.527) 5.053 11.370 ( 3.189 1.709 -3.527) 5.053 11.502 ( 0.685 -3.008 4.891) 5.782 11.502 ( 0.685 3.008 4.891) 5.782 11.686 ( -5.894 -4.408 -0.835) 7.407 11.686 ( -5.894 4.408 -0.835) 7.407 11.795 ( 2.802 -4.432 -9.241) 10.625 11.795 ( 2.802 4.432 -9.241) 10.625 11.935 ( -3.981 -1.773 -0.659) 4.408 11.935 ( -3.981 1.773 -0.659) 4.408 12.092 ( -2.199 -1.652 -3.065) 4.118 12.092 ( -2.199 1.652 -3.065) 4.118 12.309 ( -2.843 -4.629 2.829) 6.125 12.309 ( -2.843 4.629 2.829) 6.125 12.361 ( -2.948 -1.473 -0.527) 3.337 12.361 ( -2.948 1.473 -0.527) 3.337 12.564 ( -0.507 -5.457 7.673) 9.429 12.564 ( -0.507 5.457 7.673) 9.429 12.722 ( -0.580 -4.867 -12.975) 13.870 12.722 ( -0.580 4.867 -12.975) 13.870 13.016 ( 0.543 -3.353 8.208) 8.883 13.016 ( 0.543 3.353 8.208) 8.883 13.155 ( 2.548 -2.353 0.553) 3.512 13.155 ( 2.548 2.353 0.553) 3.512 13.299 ( -1.351 -6.213 -3.603) 7.308 13.299 ( -1.351 6.213 -3.603) 7.308 13.557 ( -2.438 -3.437 7.284) 8.415 13.557 ( -2.438 3.437 7.284) 8.415 13.648 ( 3.342 -5.730 7.988) 10.383 13.648 ( 3.342 5.730 7.988) 10.384 13.958 ( 2.116 -0.700 -1.106) 2.489 13.958 ( 2.116 0.700 -1.106) 2.489 14.149 ( 4.702 -7.101 0.071) 8.517 14.149 ( 4.702 7.101 0.071) 8.517 14.335 ( 1.794 -5.857 0.133) 6.127 14.335 ( 1.794 5.857 0.133) 6.127 14.616 ( -1.515 -6.726 -2.980) 7.511 14.616 ( -1.515 6.726 -2.980) 7.511 14.623 ( 3.110 -1.396 3.154) 4.644 14.623 ( 3.110 1.396 3.154) 4.644 14.807 ( -3.337 -6.065 1.071) 7.005 14.807 ( -3.337 6.065 1.071) 7.005 15.039 ( -4.775 -4.961 2.810) 7.437 15.039 ( -4.775 4.961 2.810) 7.437 15.234 ( 2.521 -3.639 -0.311) 4.438 15.234 ( 2.521 3.639 -0.311) 4.438 15.360 ( 3.403 -4.101 -1.483) 5.532 15.360 ( 3.403 4.101 -1.483) 5.532 15.547 ( 0.680 -5.255 -1.257) 5.446 15.547 ( 0.680 5.255 -1.257) 5.446 15.729 ( -3.407 -3.763 -1.524) 5.300 15.729 ( -3.407 3.763 -1.524) 5.300 15.999 ( -4.809 -0.912 -3.244) 5.872 15.999 ( -4.809 0.912 -3.244) 5.872 16.153 ( 1.620 -3.901 -2.505) 4.911 16.153 ( 1.620 3.901 -2.505) 4.911 16.267 ( 1.831 -5.031 3.304) 6.291 16.267 ( 1.831 5.031 3.304) 6.291 16.382 ( -0.615 -5.032 4.065) 6.498 16.382 ( -0.615 5.032 4.065) 6.498 16.572 ( 0.488 -1.895 2.170) 2.921 16.572 ( 0.488 1.895 2.170) 2.921 17.455 ( 2.382 -2.004 2.055) 3.730 17.455 ( 2.382 2.004 2.055) 3.730 17.914 ( 4.189 -8.662 -0.784) 9.654 17.914 ( 4.189 8.662 -0.784) 9.654 18.256 ( -1.411 -2.333 4.660) 5.399 18.256 ( -1.411 2.333 4.660) 5.399 18.676 ( 0.694 -4.366 -3.881) 5.883 18.676 ( 0.694 4.366 -3.881) 5.883 19.355 ( 4.055 -9.366 1.046) 10.259 19.355 ( 4.055 9.366 1.046) 10.259 19.862 ( -0.865 -3.973 3.170) 5.156 19.862 ( -0.865 3.973 3.170) 5.156 20.159 ( -4.740 -8.897 0.135) 10.082 20.159 ( -4.740 8.897 0.135) 10.082 20.739 ( 1.189 -4.342 1.226) 4.666 20.739 ( 1.189 4.342 1.226) 4.666 21.139 ( 0.479 -3.285 3.397) 4.750 21.139 ( 0.479 3.285 3.397) 4.750 21.263 ( -3.225 -2.852 -0.596) 4.346 21.263 ( -3.225 2.852 -0.596) 4.346 21.689 ( 2.123 -8.701 -3.647) 9.671 21.689 ( 2.123 8.701 -3.647) 9.671 22.273 ( -1.566 -2.709 -1.085) 3.312 22.273 ( -1.566 2.709 -1.085) 3.312 22.593 ( -2.264 -7.998 5.126) 9.765 22.593 ( -2.264 7.998 5.126) 9.765 23.062 ( 4.892 -10.933 -2.383) 12.213 23.062 ( 4.892 10.933 -2.383) 12.213 24.239 ( 2.522 -4.621 2.499) 5.827 24.239 ( 2.522 4.621 2.499) 5.827 24.563 ( -1.665 -2.517 -3.496) 4.618 24.563 ( -1.665 2.517 -3.496) 4.618 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.377 -2.704 -6.033) 6.753 1.962 ( -1.377 2.704 -6.033) 6.753 2.115 ( 1.572 -0.763 -3.258) 3.697 2.115 ( 1.572 0.763 -3.258) 3.697 2.235 ( 0.257 -2.390 -5.849) 6.324 2.235 ( 0.257 2.390 -5.849) 6.324 2.358 ( 3.430 -5.978 -1.081) 6.976 2.358 ( 3.430 5.978 -1.081) 6.976 2.434 ( 0.552 -1.369 1.909) 2.413 2.434 ( 0.552 1.369 1.909) 2.413 2.615 ( -0.334 -3.515 2.796) 4.504 2.615 ( -0.334 3.515 2.796) 4.504 2.799 ( -8.533 -4.296 -3.678) 10.237 2.799 ( -8.533 4.296 -3.678) 10.237 3.042 ( -3.367 -5.667 1.918) 6.865 3.042 ( -3.367 5.667 1.918) 6.865 3.142 ( -2.341 -1.984 -0.813) 3.175 3.142 ( -2.341 1.984 -0.813) 3.175 3.464 ( -4.387 -5.986 -2.368) 7.790 3.464 ( -4.387 5.986 -2.368) 7.790 3.546 ( -7.320 -4.483 -7.143) 11.167 3.546 ( -7.320 4.483 -7.143) 11.167 3.720 ( -0.091 -3.978 1.566) 4.276 3.720 ( -0.091 3.978 1.566) 4.276 3.809 ( 2.497 -4.365 -2.432) 5.586 3.809 ( 2.497 4.365 -2.432) 5.586 4.144 ( 0.618 -1.976 -1.331) 2.462 4.144 ( 0.618 1.976 -1.331) 2.462 4.271 ( 9.804 -3.644 1.746) 10.604 4.271 ( 9.804 3.644 1.746) 10.604 4.577 ( 9.321 -6.270 4.542) 12.117 4.577 ( 9.321 6.270 4.542) 12.117 4.877 ( -4.701 -1.499 14.232) 15.063 4.877 ( -4.701 1.499 14.232) 15.063 5.067 ( 1.932 -4.598 13.165) 14.078 5.067 ( 1.932 4.598 13.165) 14.078 5.247 ( 7.046 -4.506 -3.476) 9.057 5.247 ( 7.046 4.506 -3.476) 9.057 5.360 ( -2.048 -1.170 -3.409) 4.145 5.360 ( -2.048 1.170 -3.409) 4.145 5.594 ( 1.896 -2.857 -0.800) 3.521 5.594 ( 1.896 2.857 -0.800) 3.521 5.678 ( -10.636 -6.589 -6.888) 14.283 5.678 ( -10.637 6.589 -6.888) 14.283 5.926 ( -0.147 -3.655 6.473) 7.436 5.926 ( -0.147 3.655 6.473) 7.436 6.011 ( -4.773 -1.784 0.187) 5.099 6.011 ( -4.773 1.784 0.187) 5.099 6.193 ( 5.121 -2.611 -4.744) 7.453 6.193 ( 5.121 2.611 -4.744) 7.453 6.394 ( -0.088 -2.741 0.994) 2.917 6.394 ( -0.088 2.741 0.994) 2.917 6.453 ( 1.686 -7.981 -3.256) 8.783 6.453 ( 1.686 7.981 -3.256) 8.783 6.610 ( -2.408 -7.097 7.278) 10.446 6.610 ( -2.408 7.097 7.278) 10.446 6.745 ( -0.192 -7.177 6.661) 9.793 6.745 ( -0.192 7.177 6.661) 9.793 6.923 ( -1.544 -0.983 -1.196) 2.186 6.923 ( -1.544 0.983 -1.196) 2.186 7.090 ( -4.815 -4.500 3.101) 7.283 7.090 ( -4.815 4.500 3.101) 7.283 7.277 ( -4.058 -4.767 1.248) 6.384 7.277 ( -4.058 4.767 1.248) 6.384 7.375 ( -1.650 -5.061 3.266) 6.245 7.375 ( -1.650 5.061 3.266) 6.245 7.429 ( -0.731 -8.739 0.180) 8.771 7.429 ( -0.731 8.739 0.180) 8.771 7.694 ( 4.905 -6.266 -1.645) 8.126 7.694 ( 4.905 6.266 -1.645) 8.126 7.867 ( -3.300 -2.885 0.673) 4.435 7.867 ( -3.300 2.885 0.673) 4.435 8.051 ( -0.685 -2.382 -0.070) 2.479 8.051 ( -0.685 2.382 -0.070) 2.479 8.194 ( 1.053 -5.593 4.677) 7.366 8.194 ( 1.053 5.593 4.677) 7.366 8.419 ( 6.049 -2.827 -4.587) 8.101 8.419 ( 6.049 2.827 -4.587) 8.101 8.572 ( 2.348 -2.510 0.730) 3.514 8.572 ( 2.348 2.510 0.730) 3.514 8.686 ( 1.205 -1.368 2.677) 3.239 8.686 ( 1.205 1.368 2.677) 3.239 8.972 ( 2.941 -8.927 -3.735) 10.114 8.972 ( 2.941 8.927 -3.735) 10.114 9.133 ( 1.768 -1.971 2.358) 3.545 9.133 ( 1.768 1.971 2.358) 3.545 9.243 ( 2.257 -2.965 -0.640) 3.781 9.243 ( 2.257 2.965 -0.640) 3.781 9.317 ( 1.053 -3.219 -1.333) 3.640 9.317 ( 1.053 3.219 -1.333) 3.640 9.601 ( -0.342 -3.306 4.300) 5.434 9.601 ( -0.342 3.306 4.300) 5.434 9.860 ( -4.747 -2.781 -7.480) 9.286 9.860 ( -4.747 2.781 -7.480) 9.286 9.981 ( 5.471 -3.472 4.703) 8.006 9.981 ( 5.471 3.472 4.703) 8.006 10.122 ( -2.495 -6.805 -3.600) 8.093 10.122 ( -2.495 6.805 -3.600) 8.093 10.375 ( 1.042 -3.135 -4.881) 5.894 10.375 ( 1.042 3.135 -4.881) 5.894 10.557 ( 3.668 -2.964 -11.168) 12.123 10.557 ( 3.668 2.964 -11.168) 12.123 10.707 ( -0.532 -1.596 -0.204) 1.695 10.707 ( -0.532 1.596 -0.204) 1.695 10.855 ( -5.879 -4.595 -0.816) 7.507 10.855 ( -5.879 4.595 -0.816) 7.507 11.022 ( -1.879 -5.492 0.673) 5.843 11.022 ( -1.879 5.492 0.673) 5.843 11.150 ( 3.802 -2.479 -4.131) 6.137 11.150 ( 3.802 2.479 -4.131) 6.137 11.312 ( -1.272 -5.716 -5.112) 7.773 11.312 ( -1.272 5.716 -5.112) 7.773 11.531 ( -2.789 -1.442 -1.973) 3.709 11.531 ( -2.789 1.442 -1.973) 3.709 11.647 ( -1.299 -2.180 -1.630) 3.016 11.647 ( -1.299 2.180 -1.630) 3.016 11.745 ( 5.407 -2.683 -3.407) 6.931 11.745 ( 5.407 2.683 -3.407) 6.931 11.813 ( -7.086 -5.125 -2.535) 9.105 11.813 ( -7.086 5.125 -2.535) 9.105 12.023 ( -2.111 -3.312 -0.736) 3.995 12.023 ( -2.111 3.312 -0.736) 3.995 12.246 ( -2.095 -5.587 -3.446) 6.890 12.246 ( -2.095 5.587 -3.446) 6.890 12.374 ( 0.334 -3.330 -3.695) 4.985 12.374 ( 0.334 3.330 -3.695) 4.985 12.515 ( -2.985 -1.190 -4.528) 5.552 12.515 ( -2.985 1.190 -4.528) 5.552 12.713 ( 2.526 -6.413 4.542) 8.254 12.713 ( 2.526 6.413 4.542) 8.254 13.033 ( -4.233 -1.371 -0.897) 4.539 13.033 ( -4.233 1.371 -0.897) 4.539 13.187 ( 3.044 -3.037 -1.821) 4.669 13.187 ( 3.044 3.037 -1.821) 4.669 13.340 ( 4.332 -6.221 8.421) 11.331 13.340 ( 4.332 6.221 8.421) 11.331 13.572 ( -4.571 -2.596 6.456) 8.325 13.572 ( -4.570 2.596 6.456) 8.325 13.800 ( 1.208 -6.123 5.922) 8.603 13.800 ( 1.208 6.123 5.922) 8.603 14.011 ( 3.266 -3.615 -0.759) 4.931 14.011 ( 3.266 3.615 -0.759) 4.931 14.159 ( 0.685 -5.489 -1.713) 5.791 14.159 ( 0.685 5.489 -1.713) 5.791 14.360 ( -0.470 -1.929 0.650) 2.089 14.360 ( -0.470 1.929 0.650) 2.089 14.580 ( 1.118 -5.606 0.516) 5.740 14.580 ( 1.118 5.606 0.516) 5.740 14.677 ( -2.707 -3.849 -0.697) 4.757 14.677 ( -2.707 3.849 -0.697) 4.757 14.789 ( 4.028 -3.537 2.000) 5.721 14.789 ( 4.028 3.537 2.000) 5.721 15.079 ( -0.574 -4.835 9.319) 10.514 15.079 ( -0.574 4.835 9.319) 10.514 15.239 ( 0.587 -2.989 -4.208) 5.194 15.239 ( 0.587 2.989 -4.208) 5.194 15.352 ( 0.755 -1.888 -3.819) 4.327 15.352 ( 0.755 1.888 -3.819) 4.327 15.543 ( 0.988 -3.429 -1.220) 3.771 15.543 ( 0.988 3.429 -1.220) 3.771 15.667 ( -2.833 -3.231 -0.402) 4.316 15.667 ( -2.833 3.231 -0.402) 4.316 15.872 ( -3.625 -3.381 -5.072) 7.092 15.872 ( -3.625 3.381 -5.072) 7.092 16.170 ( 1.945 -5.406 0.015) 5.745 16.170 ( 1.945 5.406 0.015) 5.745 16.297 ( -2.725 -0.689 1.970) 3.433 16.297 ( -2.725 0.689 1.970) 3.433 16.456 ( 3.292 -2.575 4.264) 5.971 16.456 ( 3.292 2.575 4.264) 5.971 16.590 ( -1.528 -1.519 1.683) 2.734 16.590 ( -1.528 1.519 1.683) 2.734 17.546 ( 2.969 -1.817 4.708) 5.855 17.546 ( 2.969 1.817 4.708) 5.855 17.876 ( -2.771 -7.649 -5.697) 9.932 17.876 ( -2.771 7.649 -5.697) 9.932 18.309 ( -0.883 -2.781 6.322) 6.963 18.309 ( -0.883 2.781 6.322) 6.963 18.655 ( 1.918 -2.536 -2.839) 4.263 18.655 ( 1.918 2.536 -2.839) 4.263 19.450 ( 4.753 -9.490 3.477) 11.169 19.450 ( 4.753 9.490 3.477) 11.169 19.853 ( -4.054 -1.343 0.512) 4.301 19.853 ( -4.054 1.343 0.512) 4.301 20.190 ( 2.513 -10.092 6.686) 12.364 20.190 ( 2.513 10.092 6.686) 12.364 20.769 ( -0.784 -6.184 2.405) 6.681 20.769 ( -0.784 6.184 2.405) 6.681 21.165 ( -1.439 -3.903 1.782) 4.526 21.165 ( -1.439 3.903 1.782) 4.526 21.276 ( 2.976 -1.351 3.424) 4.734 21.276 ( 2.976 1.351 3.424) 4.734 21.681 ( 3.325 -8.239 -3.910) 9.706 21.681 ( 3.325 8.239 -3.910) 9.706 22.190 ( -5.110 -1.385 -3.757) 6.492 22.190 ( -5.110 1.385 -3.757) 6.492 22.615 ( -2.672 -9.261 4.433) 10.609 22.615 ( -2.672 9.261 4.433) 10.609 23.107 ( 5.035 -11.552 -2.276) 12.806 23.107 ( 5.035 11.552 -2.276) 12.806 24.251 ( -2.919 -4.821 0.031) 5.636 24.251 ( -2.919 4.821 0.031) 5.636 24.571 ( 5.204 -2.265 0.300) 5.683 24.571 ( 5.204 2.265 0.300) 5.683 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -4.701 -4.066 -3.849) 7.311 1.854 ( -4.701 4.066 -3.849) 7.311 2.051 ( -6.483 -2.445 -3.922) 7.962 2.051 ( -6.483 2.445 -3.922) 7.962 2.139 ( -4.663 -3.208 -4.431) 7.188 2.139 ( -4.663 3.208 -4.431) 7.188 2.327 ( -1.209 -2.652 -1.761) 3.405 2.327 ( -1.209 2.652 -1.761) 3.405 2.458 ( -0.115 -2.603 1.829) 3.184 2.458 ( -0.115 2.603 1.829) 3.184 2.639 ( -3.842 -2.773 0.352) 4.751 2.639 ( -3.842 2.773 0.352) 4.751 2.708 ( -2.505 -3.808 2.549) 5.223 2.708 ( -2.505 3.808 2.549) 5.223 2.949 ( 1.354 -2.685 -9.866) 10.314 2.949 ( 1.354 2.685 -9.866) 10.314 3.117 ( -6.114 -5.767 5.323) 9.949 3.117 ( -6.114 5.767 5.323) 9.949 3.310 ( -1.886 -2.946 -0.446) 3.526 3.310 ( -1.886 2.946 -0.446) 3.526 3.463 ( -2.700 -4.611 0.400) 5.358 3.463 ( -2.700 4.611 0.400) 5.358 3.666 ( -2.485 -9.503 -3.150) 10.315 3.666 ( -2.485 9.503 -3.150) 10.315 3.849 ( 0.923 -4.589 -2.157) 5.154 3.849 ( 0.923 4.589 -2.157) 5.154 4.115 ( 2.433 -7.246 -0.216) 7.646 4.115 ( 2.433 7.246 -0.216) 7.646 4.424 ( 1.146 -0.766 1.211) 1.835 4.424 ( 1.146 0.766 1.211) 1.835 4.646 ( -4.606 -3.196 -4.837) 7.405 4.646 ( -4.606 3.196 -4.837) 7.405 4.819 ( -19.012 -9.283 3.191) 21.397 4.819 ( -19.012 9.283 3.191) 21.397 5.193 ( -5.589 -4.854 4.432) 8.628 5.193 ( -5.589 4.854 4.432) 8.628 5.313 ( -0.654 -4.318 1.661) 4.672 5.313 ( -0.654 4.318 1.661) 4.672 5.396 ( 2.623 -1.388 7.492) 8.058 5.396 ( 2.623 1.388 7.492) 8.058 5.506 ( 8.663 -2.644 1.912) 9.257 5.506 ( 8.663 2.644 1.912) 9.257 5.656 ( 3.552 -3.645 3.232) 6.029 5.656 ( 3.552 3.645 3.232) 6.029 5.906 ( -3.240 -0.740 2.103) 3.933 5.906 ( -3.240 0.740 2.103) 3.933 6.108 ( -1.058 -3.629 0.531) 3.817 6.108 ( -1.058 3.629 0.531) 3.817 6.142 ( 3.180 -2.563 -0.626) 4.132 6.142 ( 3.180 2.563 -0.626) 4.132 6.274 ( -0.382 -2.009 -10.562) 10.758 6.274 ( -0.382 2.009 -10.562) 10.758 6.477 ( 0.165 -14.726 1.464) 14.799 6.477 ( 0.165 14.726 1.464) 14.799 6.748 ( -1.018 -3.830 8.310) 9.207 6.748 ( -1.018 3.830 8.310) 9.207 6.809 ( 6.555 -5.691 1.736) 8.852 6.809 ( 6.555 5.691 1.736) 8.852 7.021 ( 4.543 -1.341 8.456) 9.692 7.021 ( 4.543 1.341 8.456) 9.692 7.100 ( 2.297 -4.246 6.584) 8.164 7.100 ( 2.297 4.246 6.584) 8.164 7.365 ( 0.027 -1.611 7.733) 7.899 7.365 ( 0.027 1.611 7.733) 7.899 7.401 ( 1.743 -5.964 -1.052) 6.302 7.401 ( 1.743 5.964 -1.052) 6.302 7.481 ( 3.998 -8.770 7.516) 12.222 7.481 ( 3.998 8.770 7.516) 12.222 7.750 ( 6.472 -2.290 -3.282) 7.609 7.750 ( 6.472 2.290 -3.282) 7.609 7.857 ( 0.184 -3.194 4.767) 5.741 7.857 ( 0.184 3.194 4.767) 5.741 7.986 ( -2.320 -2.007 2.878) 4.206 7.986 ( -2.320 2.007 2.878) 4.206 8.294 ( 1.804 -7.666 -8.499) 11.587 8.294 ( 1.804 7.666 -8.499) 11.587 8.392 ( 4.758 -1.611 -1.074) 5.137 8.392 ( 4.758 1.611 -1.074) 5.137 8.623 ( 2.618 -2.784 1.834) 4.239 8.623 ( 2.618 2.784 1.834) 4.239 8.749 ( 2.187 -4.257 2.439) 5.371 8.749 ( 2.187 4.257 2.439) 5.371 8.877 ( -0.356 -8.248 -18.059) 19.856 8.877 ( -0.356 8.248 -18.059) 19.856 9.162 ( -1.931 -4.771 1.981) 5.515 9.162 ( -1.931 4.771 1.981) 5.515 9.259 ( -5.971 -5.822 -4.008) 9.253 9.259 ( -5.971 5.822 -4.008) 9.253 9.297 ( 3.879 -4.778 -1.526) 6.341 9.297 ( 3.879 4.778 -1.526) 6.341 9.592 ( -4.697 -7.595 -3.468) 9.580 9.592 ( -4.697 7.595 -3.468) 9.580 9.705 ( 1.806 -1.507 -4.004) 4.644 9.705 ( 1.806 1.507 -4.004) 4.644 9.999 ( 2.986 -4.852 -11.301) 12.656 9.999 ( 2.986 4.852 -11.301) 12.656 10.112 ( 4.627 -3.204 -3.287) 6.518 10.112 ( 4.627 3.204 -3.287) 6.518 10.361 ( 0.578 -4.506 5.408) 7.063 10.361 ( 0.578 4.506 5.408) 7.063 10.536 ( 0.936 -1.399 1.576) 2.306 10.536 ( 0.936 1.399 1.576) 2.306 10.654 ( -4.910 -6.965 -7.616) 11.429 10.654 ( -4.910 6.965 -7.616) 11.429 10.769 ( -5.900 -1.948 5.657) 8.403 10.769 ( -5.900 1.948 5.657) 8.403 10.994 ( -4.340 -4.312 0.684) 6.156 10.994 ( -4.340 4.312 0.684) 6.156 11.170 ( -2.477 -2.764 2.006) 4.220 11.170 ( -2.477 2.764 2.006) 4.220 11.228 ( -0.882 -2.562 -2.574) 3.737 11.228 ( -0.882 2.562 -2.574) 3.737 11.465 ( -4.726 -1.710 -4.901) 7.020 11.465 ( -4.726 1.710 -4.901) 7.020 11.554 ( -0.791 -1.638 1.339) 2.259 11.554 ( -0.791 1.638 1.339) 2.259 11.738 ( 2.533 -1.875 -0.995) 3.304 11.738 ( 2.533 1.875 -0.995) 3.304 11.847 ( 5.208 -2.130 -0.844) 5.690 11.847 ( 5.208 2.130 -0.844) 5.690 11.991 ( -0.837 -5.002 -2.537) 5.671 11.991 ( -0.837 5.002 -2.537) 5.671 12.163 ( -1.526 -3.919 -3.554) 5.506 12.163 ( -1.526 3.919 -3.554) 5.506 12.287 ( 2.139 -1.515 -7.519) 7.963 12.287 ( 2.139 1.515 -7.519) 7.963 12.459 ( -0.483 -1.951 -3.345) 3.903 12.459 ( -0.483 1.951 -3.345) 3.903 12.770 ( -3.528 -2.130 4.201) 5.885 12.770 ( -3.528 2.130 4.201) 5.885 12.955 ( -1.917 -0.651 -2.788) 3.445 12.955 ( -1.917 0.651 -2.788) 3.445 13.266 ( 5.863 -3.688 5.285) 8.712 13.266 ( 5.863 3.688 5.285) 8.712 13.469 ( -2.811 -2.494 5.245) 6.453 13.469 ( -2.811 2.494 5.245) 6.453 13.625 ( 1.667 -3.567 1.943) 4.391 13.625 ( 1.667 3.567 1.943) 4.391 13.791 ( -3.224 -6.250 1.246) 7.142 13.791 ( -3.224 6.250 1.246) 7.142 13.995 ( 1.039 -6.945 -2.391) 7.418 13.995 ( 1.039 6.945 -2.391) 7.418 14.229 ( 3.628 -5.166 3.679) 7.306 14.229 ( 3.628 5.166 3.679) 7.306 14.374 ( 1.180 -3.952 2.024) 4.595 14.374 ( 1.180 3.952 2.024) 4.595 14.551 ( 0.117 -4.848 -4.882) 6.881 14.551 ( 0.117 4.848 -4.882) 6.881 14.670 ( -0.081 -3.023 3.338) 4.504 14.670 ( -0.081 3.023 3.338) 4.504 14.905 ( 3.804 -2.223 3.279) 5.492 14.905 ( 3.804 2.223 3.279) 5.492 15.136 ( -2.888 -2.220 -3.797) 5.262 15.136 ( -2.888 2.220 -3.797) 5.262 15.235 ( 1.909 -2.446 5.494) 6.309 15.235 ( 1.909 2.446 5.494) 6.309 15.296 ( 0.337 -0.432 -3.144) 3.191 15.296 ( 0.337 0.432 -3.144) 3.191 15.546 ( 1.213 -2.350 -1.319) 2.955 15.546 ( 1.213 2.350 -1.319) 2.955 15.655 ( 0.531 -2.776 1.501) 3.200 15.655 ( 0.531 2.776 1.501) 3.200 15.778 ( -2.042 -4.048 -3.274) 5.592 15.778 ( -2.042 4.048 -3.274) 5.592 16.183 ( -1.246 -5.215 0.467) 5.382 16.183 ( -1.246 5.215 0.467) 5.382 16.268 ( -2.037 -2.088 0.416) 2.947 16.268 ( -2.037 2.088 0.416) 2.947 16.529 ( -2.164 -5.477 1.394) 6.052 16.529 ( -2.164 5.477 1.394) 6.052 16.602 ( 2.487 -1.585 3.443) 4.533 16.602 ( 2.487 1.585 3.443) 4.533 17.626 ( 0.388 -2.338 2.811) 3.677 17.626 ( 0.388 2.338 2.811) 3.677 17.744 ( -4.111 -4.939 -4.378) 7.776 17.744 ( -4.111 4.939 -4.378) 7.776 18.379 ( -1.091 -3.163 6.771) 7.553 18.379 ( -1.091 3.163 6.771) 7.553 18.652 ( 2.921 -2.003 -3.388) 4.901 18.652 ( 2.921 2.003 -3.388) 4.901 19.557 ( 3.279 -6.888 2.483) 8.022 19.557 ( 3.279 6.888 2.483) 8.022 19.778 ( -4.956 -1.129 -0.297) 5.092 19.778 ( -4.956 1.129 -0.297) 5.092 20.320 ( -0.257 -4.116 7.081) 8.195 20.320 ( -0.257 4.116 7.081) 8.195 20.773 ( -1.749 -4.384 2.521) 5.351 20.773 ( -1.749 4.384 2.521) 5.351 21.188 ( 2.611 -1.454 1.005) 3.153 21.188 ( 2.611 1.454 1.005) 3.153 21.372 ( 2.128 -2.706 3.811) 5.136 21.372 ( 2.128 2.706 3.811) 5.136 21.681 ( 2.725 -5.774 -4.314) 7.705 21.681 ( 2.725 5.774 -4.314) 7.705 22.065 ( -3.554 -2.041 -3.357) 5.298 22.065 ( -3.554 2.041 -3.357) 5.298 22.642 ( -1.081 -8.973 4.720) 10.196 22.642 ( -1.081 8.973 4.720) 10.196 23.139 ( 3.518 -10.237 -3.410) 11.349 23.139 ( 3.518 10.237 -3.410) 11.349 24.207 ( -1.846 -2.725 0.504) 3.330 24.207 ( -1.846 2.725 0.504) 3.330 24.672 ( 7.376 -5.513 -0.638) 9.231 24.672 ( 7.376 5.513 -0.638) 9.231 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -12.782 -5.685 0.518) 13.999 1.714 ( -12.782 5.685 0.518) 13.999 1.815 ( -16.759 -9.740 0.284) 19.386 1.815 ( -16.759 9.740 0.284) 19.386 2.045 ( -2.513 -1.376 -1.888) 3.431 2.045 ( -2.513 1.376 -1.888) 3.431 2.299 ( -2.709 -6.994 -0.890) 7.553 2.299 ( -2.709 6.994 -0.890) 7.553 2.474 ( 0.191 -2.600 1.153) 2.851 2.474 ( 0.191 2.600 1.153) 2.851 2.584 ( 2.065 -4.744 1.043) 5.278 2.584 ( 2.065 4.744 1.043) 5.278 2.697 ( -4.246 -1.918 3.090) 5.590 2.697 ( -4.246 1.918 3.090) 5.590 2.929 ( -2.500 -8.327 4.876) 9.968 2.929 ( -2.500 8.327 4.876) 9.968 3.175 ( 3.732 -6.655 5.096) 9.175 3.175 ( 3.732 6.655 5.096) 9.175 3.364 ( 3.096 -2.762 2.647) 4.921 3.364 ( 3.096 2.762 2.647) 4.921 3.427 ( -1.710 -3.592 -0.319) 3.991 3.427 ( -1.710 3.592 -0.319) 3.991 3.598 ( -3.192 -7.142 -0.141) 7.824 3.598 ( -3.192 7.142 -0.141) 7.824 3.838 ( 0.934 -2.971 0.543) 3.162 3.838 ( 0.934 2.971 0.543) 3.162 4.115 ( -15.908 -13.783 -4.264) 21.476 4.115 ( -15.908 13.783 -4.264) 21.476 4.228 ( -12.922 -11.972 -0.316) 17.618 4.228 ( -12.922 11.972 -0.316) 17.618 4.382 ( -8.224 -2.938 -4.502) 9.825 4.382 ( -8.224 2.938 -4.502) 9.825 4.623 ( -8.058 -7.889 -5.217) 12.425 4.623 ( -8.058 7.889 -5.217) 12.425 5.154 ( -7.980 -4.970 0.448) 9.412 5.154 ( -7.980 4.970 0.448) 9.412 5.285 ( 0.713 -1.146 1.416) 1.956 5.285 ( 0.713 1.146 1.416) 1.956 5.497 ( -3.706 -2.598 0.455) 4.549 5.497 ( -3.706 2.598 0.455) 4.549 5.677 ( 7.970 -2.207 3.059) 8.817 5.677 ( 7.970 2.207 3.059) 8.817 5.788 ( 3.951 -6.224 3.022) 7.968 5.788 ( 3.951 6.224 3.022) 7.968 5.844 ( -2.684 -1.228 1.107) 3.152 5.844 ( -2.684 1.228 1.107) 3.152 6.122 ( -0.964 -1.692 3.787) 4.258 6.122 ( -0.964 1.692 3.787) 4.258 6.211 ( 7.611 -2.225 -3.522) 8.677 6.211 ( 7.611 2.225 -3.522) 8.677 6.248 ( 3.430 -1.443 4.287) 5.677 6.248 ( 3.430 1.443 4.287) 5.677 6.512 ( 0.426 -11.954 3.640) 12.503 6.512 ( 0.426 11.954 3.640) 12.503 6.884 ( 10.709 -4.753 3.888) 12.344 6.884 ( 10.709 4.753 3.888) 12.344 6.969 ( 5.178 -3.508 5.489) 8.322 6.969 ( 5.178 3.508 5.489) 8.322 7.121 ( 2.522 -0.981 0.312) 2.724 7.121 ( 2.522 0.981 0.312) 2.724 7.224 ( 3.231 -2.827 3.816) 5.744 7.224 ( 3.231 2.827 3.816) 5.744 7.369 ( -3.725 -2.927 -1.949) 5.123 7.369 ( -3.725 2.927 -1.949) 5.123 7.397 ( 4.882 -4.048 -2.329) 6.756 7.397 ( 4.882 4.048 -2.329) 6.756 7.645 ( -0.447 -4.710 5.807) 7.491 7.645 ( -0.447 4.710 5.807) 7.491 7.809 ( 8.867 -3.805 -6.702) 11.748 7.809 ( 8.867 3.805 -6.702) 11.748 7.957 ( -0.398 -3.652 7.523) 8.372 7.957 ( -0.398 3.652 7.523) 8.372 8.124 ( -0.745 -2.954 -12.924) 13.279 8.124 ( -0.745 2.954 -12.924) 13.279 8.189 ( 6.268 -3.528 14.674) 16.342 8.189 ( 6.268 3.528 14.674) 16.342 8.386 ( -1.127 -8.938 -15.458) 17.892 8.386 ( -1.127 8.938 -15.458) 17.892 8.566 ( 3.613 -4.598 -5.556) 8.066 8.566 ( 3.613 4.598 -5.556) 8.066 8.714 ( 3.829 -1.510 -4.210) 5.888 8.714 ( 3.829 1.510 -4.210) 5.888 8.799 ( 2.476 -1.851 -0.833) 3.202 8.799 ( 2.476 1.851 -0.833) 3.202 9.046 ( -8.564 -3.923 -4.219) 10.321 9.046 ( -8.564 3.923 -4.219) 10.321 9.175 ( -1.459 -2.804 2.314) 3.918 9.175 ( -1.459 2.804 2.314) 3.918 9.300 ( -1.362 -5.511 -2.631) 6.257 9.300 ( -1.362 5.511 -2.631) 6.257 9.511 ( -3.188 -1.458 0.761) 3.588 9.511 ( -3.188 1.458 0.761) 3.588 9.683 ( 3.013 -3.389 -4.567) 6.436 9.683 ( 3.013 3.389 -4.567) 6.436 9.924 ( 1.475 -13.713 -9.093) 16.519 9.924 ( 1.475 13.713 -9.093) 16.519 10.131 ( 3.166 -12.063 -0.801) 12.497 10.131 ( 3.166 12.063 -0.801) 12.497 10.390 ( -2.741 -6.975 -2.026) 7.763 10.390 ( -2.741 6.975 -2.026) 7.763 10.535 ( -1.000 -7.728 2.702) 8.247 10.535 ( -1.000 7.728 2.702) 8.247 10.622 ( -0.355 -0.684 3.882) 3.958 10.622 ( -0.355 0.684 3.882) 3.958 10.736 ( -5.828 -1.968 4.746) 7.769 10.736 ( -5.828 1.968 4.746) 7.769 10.901 ( -6.951 -4.011 -1.726) 8.209 10.901 ( -6.951 4.011 -1.726) 8.209 11.103 ( -7.764 -3.508 4.161) 9.481 11.103 ( -7.764 3.508 4.161) 9.481 11.220 ( -0.717 -1.339 1.869) 2.408 11.220 ( -0.717 1.339 1.869) 2.408 11.381 ( -0.210 -4.170 -1.780) 4.539 11.381 ( -0.210 4.170 -1.780) 4.539 11.578 ( -1.223 -4.395 -0.227) 4.568 11.578 ( -1.223 4.395 -0.227) 4.568 11.786 ( 4.126 -4.848 -3.370) 7.203 11.786 ( 4.126 4.848 -3.370) 7.203 11.869 ( 0.061 -1.779 0.917) 2.002 11.869 ( 0.061 1.779 0.917) 2.002 11.985 ( 4.977 -3.891 -0.428) 6.332 11.985 ( 4.977 3.891 -0.428) 6.332 12.139 ( 1.447 -1.721 -0.860) 2.407 12.139 ( 1.447 1.721 -0.860) 2.407 12.306 ( 6.113 -0.770 -0.752) 6.207 12.306 ( 6.113 0.770 -0.752) 6.207 12.428 ( 3.215 -2.969 -2.582) 5.081 12.428 ( 3.215 2.969 -2.582) 5.081 12.727 ( -8.604 -2.208 4.913) 10.151 12.727 ( -8.604 2.208 4.913) 10.151 12.914 ( -0.848 -1.743 -0.418) 1.983 12.914 ( -0.848 1.743 -0.418) 1.983 13.377 ( -6.937 -3.898 -0.143) 7.959 13.377 ( -6.937 3.898 -0.143) 7.959 13.455 ( 5.141 -3.878 -2.623) 6.954 13.455 ( 5.141 3.878 -2.623) 6.954 13.593 ( -1.212 -3.460 6.101) 7.117 13.593 ( -1.212 3.460 6.101) 7.117 13.855 ( 3.155 -2.666 0.676) 4.185 13.855 ( 3.155 2.666 0.676) 4.185 14.024 ( 3.751 -6.092 1.807) 7.379 14.024 ( 3.751 6.092 1.807) 7.379 14.276 ( -0.604 -6.003 0.695) 6.073 14.276 ( -0.604 6.003 0.695) 6.073 14.400 ( 1.429 -6.005 -3.994) 7.352 14.400 ( 1.429 6.005 -3.994) 7.352 14.566 ( 5.841 -9.278 -0.170) 10.965 14.566 ( 5.841 9.278 -0.170) 10.965 14.725 ( 1.083 -5.262 4.726) 7.155 14.725 ( 1.083 5.262 4.726) 7.155 14.940 ( 0.157 -2.460 -1.439) 2.854 14.940 ( 0.157 2.460 -1.439) 2.854 15.070 ( -1.942 -1.105 -0.426) 2.274 15.070 ( -1.942 1.105 -0.426) 2.274 15.136 ( -4.435 -4.105 -6.923) 9.190 15.136 ( -4.435 4.105 -6.923) 9.190 15.408 ( 3.765 -1.334 2.439) 4.681 15.408 ( 3.765 1.334 2.439) 4.681 15.567 ( 3.174 -6.417 0.621) 7.186 15.567 ( 3.174 6.417 0.621) 7.186 15.666 ( -1.467 -6.700 0.159) 6.861 15.666 ( -1.467 6.700 0.159) 6.861 15.763 ( 2.996 -8.568 0.577) 9.095 15.763 ( 2.996 8.568 0.577) 9.095 16.138 ( -5.059 -5.139 0.340) 7.220 16.138 ( -5.059 5.139 0.340) 7.220 16.271 ( 0.384 -3.862 1.977) 4.356 16.271 ( 0.384 3.862 1.977) 4.356 16.474 ( -4.352 -4.568 0.060) 6.309 16.474 ( -4.352 4.568 0.060) 6.309 16.701 ( 4.259 -4.581 1.866) 6.527 16.701 ( 4.259 4.581 1.866) 6.527 17.592 ( -4.309 -2.720 -0.277) 5.103 17.592 ( -4.309 2.720 -0.277) 5.103 17.712 ( -0.058 -3.112 1.302) 3.374 17.712 ( -0.058 3.112 1.302) 3.374 18.426 ( -2.785 -3.037 4.510) 6.109 18.426 ( -2.785 3.037 4.510) 6.109 18.661 ( 4.585 -1.038 -3.771) 6.027 18.661 ( 4.585 1.038 -3.771) 6.027 19.542 ( -4.742 -3.023 -3.588) 6.671 19.542 ( -4.742 3.023 -3.588) 6.671 19.762 ( -0.329 -1.712 4.434) 4.764 19.762 ( -0.329 1.712 4.434) 4.764 20.282 ( -9.328 -5.522 -1.362) 10.925 20.282 ( -9.328 5.522 -1.362) 10.925 20.818 ( 0.333 -3.396 5.500) 6.472 20.818 ( 0.333 3.396 5.500) 6.472 21.241 ( 2.600 -3.640 -1.045) 4.594 21.241 ( 2.600 3.640 -1.045) 4.594 21.424 ( 3.058 -5.837 0.174) 6.592 21.424 ( 3.058 5.837 0.174) 6.592 21.629 ( -0.570 -4.517 -5.522) 7.157 21.629 ( -0.570 4.517 -5.522) 7.157 22.048 ( 0.706 -2.227 2.796) 3.644 22.048 ( 0.706 2.227 2.796) 3.644 22.699 ( 0.035 -10.471 4.819) 11.526 22.699 ( 0.035 10.471 4.819) 11.526 23.121 ( 2.712 -8.610 -6.044) 10.863 23.121 ( 2.712 8.610 -6.044) 10.863 24.236 ( 2.910 -1.194 3.378) 4.615 24.236 ( 2.910 1.194 3.378) 4.615 24.742 ( 6.918 -9.147 -6.420) 13.144 24.742 ( 6.918 9.147 -6.420) 13.144 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -15.022 -15.470 8.059) 23.020 1.526 ( -15.022 15.470 8.059) 23.020 1.676 ( -12.397 -10.917 10.201) 19.415 1.676 ( -12.397 10.917 10.201) 19.415 2.028 ( -0.270 -0.805 1.751) 1.946 2.028 ( -0.270 0.805 1.751) 1.946 2.262 ( -1.945 -3.845 1.731) 4.644 2.262 ( -1.945 3.845 1.731) 4.644 2.493 ( 0.387 -0.979 0.221) 1.076 2.493 ( 0.387 0.979 0.221) 1.076 2.631 ( -1.973 -4.563 1.008) 5.073 2.631 ( -1.973 4.563 1.008) 5.073 2.722 ( -0.301 -0.711 6.960) 7.002 2.722 ( -0.301 0.711 6.960) 7.002 2.928 ( -7.842 -4.653 6.317) 11.094 2.928 ( -7.842 4.654 6.317) 11.094 3.235 ( -6.494 -5.594 4.526) 9.692 3.235 ( -6.494 5.594 4.526) 9.692 3.367 ( -0.048 -3.339 2.853) 4.392 3.367 ( -0.048 3.339 2.853) 4.392 3.458 ( -7.649 -7.304 4.277) 11.408 3.458 ( -7.649 7.304 4.277) 11.408 3.599 ( -1.470 -7.000 4.213) 8.301 3.599 ( -1.470 7.000 4.213) 8.301 3.706 ( -5.686 -5.924 -0.115) 8.212 3.706 ( -5.686 5.924 -0.115) 8.212 3.960 ( 4.335 -0.279 -0.147) 4.346 3.960 ( 4.335 0.279 -0.147) 4.346 4.148 ( -5.164 -5.173 -4.340) 8.501 4.148 ( -5.164 5.173 -4.340) 8.501 4.263 ( -5.209 -4.877 4.918) 8.666 4.263 ( -5.209 4.877 4.918) 8.666 4.441 ( -5.154 -3.175 -6.572) 8.935 4.441 ( -5.154 3.175 -6.572) 8.935 5.040 ( -5.294 -9.949 0.963) 11.311 5.040 ( -5.294 9.949 0.963) 11.311 5.260 ( -1.598 -4.673 -6.518) 8.178 5.260 ( -1.598 4.673 -6.518) 8.178 5.459 ( -1.846 -1.670 1.000) 2.683 5.459 ( -1.846 1.670 1.000) 2.683 5.714 ( -1.687 -2.750 0.087) 3.227 5.714 ( -1.687 2.750 0.087) 3.227 5.823 ( 2.786 -7.250 1.503) 7.911 5.823 ( 2.786 7.250 1.503) 7.911 5.916 ( 2.689 -2.871 -1.262) 4.131 5.916 ( 2.689 2.871 -1.262) 4.131 6.075 ( -4.197 -4.145 -2.393) 6.366 6.075 ( -4.197 4.145 -2.393) 6.366 6.277 ( 1.575 -0.869 2.852) 3.372 6.277 ( 1.575 0.869 2.852) 3.372 6.422 ( 6.891 -5.738 3.407) 9.593 6.422 ( 6.891 5.738 3.407) 9.593 6.616 ( 6.523 -6.145 6.834) 11.270 6.616 ( 6.523 6.145 6.834) 11.270 6.941 ( -4.769 -6.813 -4.262) 9.344 6.941 ( -4.769 6.813 -4.262) 9.344 7.098 ( 8.216 -2.580 -3.349) 9.240 7.098 ( 8.216 2.580 -3.349) 9.240 7.147 ( 5.633 -3.016 -3.933) 7.503 7.147 ( 5.633 3.016 -3.933) 7.503 7.258 ( -7.337 -4.416 -2.690) 8.976 7.258 ( -7.337 4.416 -2.690) 8.976 7.359 ( 5.425 -2.244 3.475) 6.822 7.359 ( 5.425 2.244 3.475) 6.822 7.411 ( 1.460 -10.232 -5.075) 11.515 7.411 ( 1.460 10.232 -5.075) 11.515 7.511 ( -5.031 -9.683 -12.698) 16.743 7.511 ( -5.031 9.683 -12.698) 16.743 7.762 ( 1.276 -1.399 1.361) 2.332 7.762 ( 1.276 1.399 1.361) 2.332 7.960 ( 2.565 -2.308 -6.094) 7.003 7.960 ( 2.565 2.308 -6.094) 7.003 8.061 ( 5.026 -1.130 0.415) 5.168 8.061 ( 5.026 1.130 0.415) 5.168 8.304 ( 0.601 -6.997 1.748) 7.237 8.304 ( 0.601 6.997 1.748) 7.237 8.487 ( 5.458 -0.930 -2.125) 5.930 8.487 ( 5.458 0.930 -2.125) 5.930 8.578 ( 6.320 -0.325 3.436) 7.201 8.578 ( 6.320 0.325 3.436) 7.201 8.731 ( 2.528 -5.086 -6.417) 8.569 8.731 ( 2.528 5.086 -6.417) 8.569 8.779 ( -1.320 -2.326 1.169) 2.919 8.779 ( -1.320 2.326 1.169) 2.919 9.016 ( 1.101 -2.976 5.377) 6.243 9.016 ( 1.101 2.976 5.377) 6.243 9.157 ( -3.758 -2.950 -0.404) 4.795 9.157 ( -3.758 2.950 -0.404) 4.795 9.266 ( 1.852 -3.524 3.267) 5.150 9.266 ( 1.852 3.524 3.267) 5.150 9.507 ( -4.065 -1.916 5.360) 6.994 9.507 ( -4.065 1.916 5.360) 6.994 9.697 ( -0.270 -4.481 -7.723) 8.933 9.697 ( -0.270 4.481 -7.723) 8.933 9.807 ( 0.515 -1.504 0.930) 1.842 9.807 ( 0.515 1.504 0.930) 1.842 10.171 ( 2.951 -9.659 -1.305) 10.184 10.171 ( 2.951 9.659 -1.305) 10.184 10.361 ( -1.081 -2.457 5.085) 5.750 10.361 ( -1.081 2.457 5.085) 5.750 10.520 ( -4.725 -1.900 -3.449) 6.151 10.520 ( -4.725 1.900 -3.449) 6.151 10.587 ( -4.218 -5.354 1.294) 6.938 10.587 ( -4.218 5.354 1.294) 6.938 10.730 ( -1.668 -1.251 0.585) 2.166 10.730 ( -1.668 1.251 0.585) 2.166 10.853 ( 2.512 -4.955 0.654) 5.594 10.853 ( 2.512 4.955 0.654) 5.594 11.083 ( -3.912 -7.139 7.075) 10.786 11.083 ( -3.912 7.139 7.075) 10.786 11.278 ( -0.795 -4.978 4.456) 6.728 11.278 ( -0.795 4.978 4.456) 6.728 11.393 ( 3.779 -8.981 2.516) 10.063 11.393 ( 3.779 8.981 2.516) 10.063 11.531 ( -2.185 -5.551 0.950) 6.041 11.531 ( -2.185 5.551 0.950) 6.041 11.750 ( -1.744 -4.216 -1.233) 4.726 11.750 ( -1.744 4.216 -1.233) 4.726 11.915 ( 0.822 -2.003 1.873) 2.863 11.915 ( 0.822 2.003 1.873) 2.863 12.057 ( 3.594 -0.795 -2.268) 4.324 12.057 ( 3.594 0.795 -2.268) 4.324 12.178 ( 4.457 -3.357 1.569) 5.797 12.178 ( 4.457 3.357 1.569) 5.797 12.386 ( 3.148 -2.621 0.997) 4.215 12.386 ( 3.148 2.621 0.997) 4.215 12.487 ( 4.001 -2.322 0.378) 4.642 12.487 ( 4.001 2.322 0.378) 4.642 12.679 ( -6.958 -2.789 6.714) 10.063 12.679 ( -6.958 2.789 6.714) 10.063 12.927 ( -1.771 -2.240 5.242) 5.969 12.927 ( -1.771 2.240 5.242) 5.969 13.255 ( -4.897 -6.181 -0.714) 7.918 13.255 ( -4.897 6.181 -0.714) 7.918 13.405 ( -0.202 -2.329 -6.138) 6.568 13.405 ( -0.202 2.329 -6.138) 6.568 13.770 ( 4.852 -7.097 9.021) 12.461 13.770 ( 4.852 7.097 9.021) 12.461 13.899 ( 5.693 -3.529 -2.391) 7.112 13.899 ( 5.693 3.529 -2.391) 7.112 14.048 ( -1.358 -3.346 -4.678) 5.909 14.048 ( -1.358 3.346 -4.678) 5.909 14.231 ( -2.169 -6.732 -4.459) 8.361 14.231 ( -2.169 6.732 -4.459) 8.361 14.377 ( 2.994 -2.706 -3.650) 5.442 14.377 ( 2.994 2.706 -3.650) 5.442 14.597 ( -0.750 -3.405 -1.431) 3.769 14.597 ( -0.750 3.405 -1.431) 3.769 14.821 ( 5.035 -1.829 -1.431) 5.544 14.821 ( 5.035 1.829 -1.431) 5.544 14.865 ( -4.751 -2.138 -3.079) 6.051 14.865 ( -4.751 2.138 -3.079) 6.051 15.051 ( 1.420 -3.722 0.211) 3.989 15.051 ( 1.420 3.722 0.211) 3.989 15.088 ( 1.781 -1.203 3.682) 4.263 15.088 ( 1.781 1.203 3.682) 4.263 15.398 ( -0.449 -5.176 -5.835) 7.813 15.398 ( -0.449 5.176 -5.835) 7.813 15.607 ( 0.835 -6.589 -2.147) 6.980 15.607 ( 0.835 6.589 -2.147) 6.980 15.680 ( -0.512 -5.864 4.649) 7.501 15.680 ( -0.512 5.864 4.649) 7.501 15.846 ( 5.486 -7.624 3.017) 9.865 15.846 ( 5.486 7.624 3.017) 9.865 16.069 ( -4.824 -7.007 1.016) 8.567 16.069 ( -4.824 7.007 1.016) 8.567 16.298 ( -0.875 -1.303 1.249) 2.006 16.298 ( -0.875 1.303 1.249) 2.006 16.442 ( -0.208 -1.235 1.403) 1.881 16.442 ( -0.208 1.235 1.403) 1.881 16.748 ( 2.418 -3.540 -2.713) 5.074 16.748 ( 2.418 3.540 -2.713) 5.074 17.544 ( -2.905 -0.968 0.197) 3.068 17.544 ( -2.905 0.968 0.197) 3.068 17.723 ( -1.262 -2.502 1.981) 3.432 17.723 ( -1.262 2.502 1.981) 3.432 18.401 ( -5.220 -2.741 1.149) 6.007 18.401 ( -5.220 2.741 1.149) 6.007 18.692 ( 6.047 -1.144 -4.211) 7.457 18.692 ( 6.047 1.144 -4.211) 7.457 19.384 ( -8.513 -6.200 -4.536) 11.466 19.384 ( -8.513 6.200 -4.536) 11.466 19.832 ( 0.104 -0.796 6.348) 6.398 19.832 ( 0.104 0.796 6.348) 6.398 20.088 ( -9.813 -6.231 -3.141) 12.042 20.088 ( -9.813 6.231 -3.141) 12.042 20.875 ( -0.956 -6.107 3.316) 7.015 20.875 ( -0.956 6.107 3.316) 7.015 21.209 ( -0.332 -2.095 -4.956) 5.391 21.209 ( -0.332 2.095 -4.956) 5.391 21.485 ( 3.486 -7.551 -1.265) 8.412 21.485 ( 3.486 7.551 -1.265) 8.412 21.595 ( 5.104 -5.356 -2.199) 7.719 21.595 ( 5.104 5.356 -2.199) 7.719 22.089 ( -3.032 -4.404 4.644) 7.082 22.089 ( -3.032 4.404 4.644) 7.082 22.722 ( -4.678 -13.851 3.432) 15.017 22.722 ( -4.678 13.851 3.432) 15.017 23.108 ( 7.551 -4.790 -7.384) 11.597 23.108 ( 7.551 4.790 -7.384) 11.597 24.369 ( 7.518 -3.234 4.035) 9.125 24.369 ( 7.518 3.234 4.035) 9.125 24.687 ( 2.918 -9.759 -13.908) 17.239 24.687 ( 2.918 9.759 -13.908) 17.239 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -9.342 -15.276 12.904) 22.071 1.487 ( -9.342 15.276 12.904) 22.071 1.692 ( -6.454 -15.012 15.055) 22.218 1.692 ( -6.454 15.012 15.055) 22.218 2.033 ( -1.728 -2.788 0.815) 3.380 2.033 ( -1.728 2.788 0.815) 3.380 2.288 ( -0.767 -6.281 4.432) 7.726 2.288 ( -0.767 6.281 4.432) 7.726 2.442 ( -4.914 -3.789 -1.956) 6.506 2.442 ( -4.914 3.789 -1.956) 6.506 2.604 ( -1.190 -2.699 -2.929) 4.157 2.604 ( -1.190 2.699 -2.929) 4.157 2.761 ( -4.060 -6.037 4.440) 8.523 2.761 ( -4.060 6.037 4.440) 8.523 2.920 ( -7.912 -8.055 10.081) 15.136 2.920 ( -7.912 8.055 10.081) 15.136 3.165 ( -5.458 -7.161 2.708) 9.402 3.165 ( -5.458 7.161 2.708) 9.402 3.364 ( -2.448 -4.382 7.149) 8.735 3.364 ( -2.448 4.382 7.149) 8.735 3.453 ( -1.959 -9.017 3.295) 9.798 3.453 ( -1.959 9.017 3.295) 9.798 3.602 ( -4.283 -7.758 4.608) 9.988 3.602 ( -4.283 7.758 4.608) 9.988 3.798 ( 0.142 -3.392 4.469) 5.612 3.798 ( 0.142 3.392 4.469) 5.612 3.927 ( -2.811 -1.446 -0.809) 3.263 3.927 ( -2.811 1.446 -0.809) 3.263 4.122 ( -1.642 -2.645 9.612) 10.104 4.122 ( -1.642 2.645 9.612) 10.104 4.303 ( 2.058 -3.602 -3.673) 5.541 4.303 ( 2.058 3.602 -3.673) 5.541 4.351 ( 4.689 -2.449 0.138) 5.292 4.351 ( 4.689 2.449 0.138) 5.292 5.036 ( 0.401 -8.678 0.462) 8.699 5.036 ( 0.401 8.678 0.462) 8.699 5.154 ( -0.344 -3.278 -3.083) 4.513 5.154 ( -0.344 3.278 -3.083) 4.513 5.404 ( -3.421 -6.417 -4.849) 8.741 5.404 ( -3.421 6.417 -4.849) 8.741 5.692 ( 0.210 -4.611 -4.448) 6.410 5.692 ( 0.210 4.611 -4.448) 6.410 5.782 ( -5.283 -2.790 -2.123) 6.340 5.782 ( -5.283 2.790 -2.123) 6.340 5.940 ( 2.064 -0.522 0.300) 2.150 5.940 ( 2.064 0.522 0.300) 2.150 5.988 ( -2.042 -3.092 -0.185) 3.710 5.988 ( -2.042 3.092 -0.185) 3.710 6.299 ( -1.743 -1.466 1.275) 2.610 6.299 ( -1.743 1.466 1.275) 2.610 6.522 ( 6.105 -8.557 -1.604) 10.633 6.522 ( 6.105 8.557 -1.604) 10.633 6.773 ( 1.140 -6.486 -2.836) 7.170 6.773 ( 1.140 6.486 -2.836) 7.170 6.853 ( 0.252 -0.421 5.322) 5.345 6.853 ( 0.252 0.421 5.322) 5.345 7.062 ( 0.506 -3.855 -3.509) 5.237 7.062 ( 0.506 3.855 -3.509) 5.237 7.102 ( 4.064 -5.096 -8.756) 10.916 7.102 ( 4.064 5.096 -8.756) 10.916 7.284 ( 4.335 -10.350 1.781) 11.361 7.284 ( 4.335 10.350 1.781) 11.361 7.355 ( 3.144 -6.751 -6.017) 9.574 7.355 ( 3.144 6.751 -6.017) 9.574 7.425 ( 2.312 -0.673 1.461) 2.817 7.425 ( 2.312 0.673 1.461) 2.817 7.490 ( 4.238 -1.498 1.031) 4.612 7.490 ( 4.238 1.498 1.031) 4.612 7.742 ( -6.452 -5.067 0.159) 8.205 7.742 ( -6.452 5.067 0.159) 8.205 7.991 ( 1.295 -0.349 3.355) 3.613 7.991 ( 1.295 0.349 3.355) 3.613 8.192 ( 8.725 -4.598 -2.417) 10.155 8.192 ( 8.725 4.598 -2.417) 10.155 8.302 ( 0.071 -7.938 1.994) 8.185 8.302 ( 0.071 7.938 1.994) 8.185 8.368 ( 0.007 -1.985 -6.956) 7.234 8.368 ( 0.007 1.985 -6.956) 7.234 8.635 ( -0.490 -3.303 -4.646) 5.721 8.635 ( -0.490 3.303 -4.646) 5.721 8.699 ( -3.743 -3.120 -7.352) 8.820 8.699 ( -3.743 3.120 -7.352) 8.820 8.854 ( 5.917 -2.515 4.177) 7.667 8.854 ( 5.917 2.515 4.177) 7.667 9.026 ( -2.074 -6.077 -0.046) 6.421 9.026 ( -2.074 6.077 -0.046) 6.421 9.162 ( -1.662 -5.900 1.599) 6.335 9.162 ( -1.662 5.900 1.599) 6.335 9.329 ( -1.568 -2.372 -1.505) 3.217 9.329 ( -1.568 2.372 -1.505) 3.217 9.458 ( -0.000 -6.143 0.478) 6.162 9.458 ( -0.000 6.143 0.478) 6.162 9.668 ( 3.879 -1.673 10.142) 10.987 9.668 ( 3.879 1.673 10.142) 10.987 9.950 ( 2.711 -0.869 7.023) 7.578 9.950 ( 2.711 0.869 7.023) 7.578 10.191 ( -0.607 -2.674 2.525) 3.728 10.191 ( -0.607 2.674 2.525) 3.728 10.376 ( 0.312 -5.452 -3.081) 6.270 10.376 ( 0.312 5.452 -3.081) 6.270 10.492 ( -0.131 -2.311 5.027) 5.535 10.492 ( -0.131 2.311 5.027) 5.535 10.549 ( 3.522 -1.469 -4.638) 6.006 10.549 ( 3.522 1.469 -4.638) 6.006 10.742 ( -0.026 -3.738 4.879) 6.146 10.742 ( -0.026 3.738 4.879) 6.146 10.893 ( 2.562 -3.101 0.427) 4.045 10.893 ( 2.562 3.101 0.427) 4.045 11.130 ( -1.962 -3.600 5.023) 6.484 11.130 ( -1.962 3.600 5.023) 6.484 11.300 ( -2.925 -3.431 6.276) 7.727 11.300 ( -2.925 3.431 6.276) 7.727 11.462 ( 3.249 -7.266 -0.092) 7.960 11.462 ( 3.249 7.266 -0.092) 7.960 11.639 ( 6.317 -6.658 -0.347) 9.185 11.639 ( 6.317 6.658 -0.347) 9.185 11.750 ( -2.536 -4.612 13.206) 14.216 11.750 ( -2.536 4.612 13.206) 14.216 11.925 ( -1.738 -0.707 1.272) 2.267 11.925 ( -1.738 0.707 1.272) 2.267 12.059 ( 2.572 -1.622 -2.406) 3.877 12.059 ( 2.572 1.622 -2.406) 3.877 12.244 ( -1.367 -3.848 1.679) 4.416 12.244 ( -1.367 3.848 1.679) 4.416 12.412 ( -1.312 -2.304 1.923) 3.275 12.412 ( -1.312 2.304 1.923) 3.275 12.543 ( 2.809 -1.745 1.890) 3.809 12.543 ( 2.809 1.745 1.890) 3.809 12.667 ( -3.690 -2.473 3.248) 5.502 12.667 ( -3.690 2.473 3.248) 5.502 12.954 ( -6.126 -3.467 6.789) 9.780 12.954 ( -6.126 3.467 6.789) 9.780 13.211 ( -4.470 -10.286 1.779) 11.355 13.211 ( -4.470 10.286 1.779) 11.355 13.387 ( 8.502 -3.420 -3.932) 9.972 13.387 ( 8.502 3.420 -3.932) 9.972 13.858 ( -4.171 -1.461 -11.791) 12.592 13.858 ( -4.171 1.461 -11.791) 12.592 13.886 ( 0.911 -3.084 -0.919) 3.344 13.886 ( 0.911 3.084 -0.919) 3.344 13.950 ( 0.376 -3.275 -1.495) 3.619 13.950 ( 0.376 3.275 -1.495) 3.619 14.126 ( 1.055 -4.785 -7.906) 9.301 14.126 ( 1.055 4.785 -7.906) 9.301 14.356 ( -1.151 -1.561 -4.410) 4.818 14.356 ( -1.151 1.561 -4.410) 4.818 14.568 ( 0.033 -2.300 -0.480) 2.350 14.568 ( 0.033 2.300 -0.480) 2.350 14.702 ( -1.113 -4.828 -6.353) 8.057 14.702 ( -1.113 4.828 -6.353) 8.057 14.911 ( 0.982 -1.661 0.795) 2.087 14.911 ( 0.982 1.661 0.795) 2.087 15.072 ( 0.138 -1.980 0.956) 2.203 15.072 ( 0.138 1.980 0.956) 2.203 15.200 ( 1.953 -1.082 2.816) 3.594 15.200 ( 1.953 1.082 2.816) 3.594 15.329 ( 2.348 -6.269 -2.851) 7.276 15.329 ( 2.348 6.269 -2.851) 7.276 15.544 ( -2.447 -6.466 -4.529) 8.265 15.544 ( -2.447 6.466 -4.529) 8.265 15.739 ( 0.544 -7.527 4.947) 9.024 15.739 ( 0.544 7.527 4.947) 9.024 15.984 ( 3.540 -3.578 5.715) 7.616 15.984 ( 3.540 3.578 5.715) 7.616 16.027 ( -2.088 -4.883 1.044) 5.412 16.027 ( -2.088 4.883 1.044) 5.412 16.280 ( -0.110 -2.282 -1.751) 2.879 16.280 ( -0.110 2.282 -1.751) 2.879 16.467 ( -1.009 -3.764 1.387) 4.136 16.467 ( -1.009 3.764 1.387) 4.136 16.711 ( 0.761 -1.284 -5.943) 6.128 16.711 ( 0.761 1.284 -5.943) 6.128 17.479 ( -3.232 -1.416 -2.624) 4.397 17.479 ( -3.232 1.416 -2.624) 4.397 17.720 ( -1.971 -1.648 0.459) 2.610 17.720 ( -1.971 1.648 0.459) 2.610 18.328 ( -5.458 -3.420 1.361) 6.584 18.328 ( -5.458 3.420 1.361) 6.584 18.729 ( 7.371 -2.316 -5.801) 9.661 18.729 ( 7.371 2.316 -5.801) 9.661 19.221 ( -7.091 -6.782 -0.897) 9.853 19.221 ( -7.091 6.782 -0.897) 9.853 19.898 ( -0.756 -3.748 2.088) 4.356 19.898 ( -0.756 3.748 2.088) 4.356 20.015 ( -0.843 -5.639 7.972) 9.801 20.015 ( -0.843 5.639 7.972) 9.801 20.867 ( -1.210 -3.185 -1.629) 3.776 20.867 ( -1.210 3.185 -1.629) 3.776 21.151 ( 0.420 -5.111 -3.862) 6.420 21.151 ( 0.420 5.111 -3.862) 6.420 21.490 ( 1.792 -6.251 -2.870) 7.108 21.490 ( 1.792 6.251 -2.870) 7.108 21.697 ( 7.985 -6.807 0.609) 10.510 21.697 ( 7.985 6.807 0.609) 10.510 22.057 ( -8.033 -2.770 3.469) 9.178 22.057 ( -8.033 2.770 3.469) 9.178 22.690 ( -3.473 -8.844 3.678) 10.189 22.690 ( -3.473 8.844 3.678) 10.189 23.109 ( 5.147 -1.890 -10.122) 11.512 23.109 ( 5.147 1.890 -10.122) 11.512 24.390 ( -3.237 -3.237 -11.438) 12.320 24.390 ( -3.237 3.237 -11.438) 12.320 24.640 ( 10.320 -5.307 -2.325) 11.835 24.640 ( 10.320 5.307 -2.325) 11.835 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.128 0.000 13.986) 14.147 1.801 ( 6.471 0.000 17.572) 18.726 1.985 ( 0.468 0.000 -7.379) 7.394 2.041 ( -5.208 0.000 -4.490) 6.876 2.104 ( -1.920 0.000 3.980) 4.419 2.124 ( 1.363 0.000 2.683) 3.009 2.211 ( 1.505 0.000 2.491) 2.910 2.266 ( 1.084 0.000 -0.574) 1.226 2.279 ( 1.120 0.000 0.889) 1.430 2.315 ( -4.234 0.000 -4.243) 5.995 2.542 ( 4.450 0.000 0.759) 4.515 2.549 ( -4.429 0.000 0.184) 4.433 2.819 ( 2.319 0.000 1.614) 2.826 2.849 ( 0.061 0.000 -1.374) 1.375 2.891 ( -3.894 0.000 9.910) 10.647 3.078 ( -8.720 0.000 -7.837) 11.724 3.195 ( 0.694 0.000 1.904) 2.027 3.241 ( -6.983 0.000 1.106) 7.070 3.329 ( -0.412 0.000 -1.303) 1.367 3.364 ( 2.279 0.000 -4.821) 5.333 3.389 ( -3.803 0.000 5.838) 6.968 3.509 ( 1.331 0.000 -3.003) 3.285 3.537 ( -1.595 0.000 -5.207) 5.445 3.540 ( -0.191 0.000 -2.362) 2.369 3.928 ( 2.110 0.000 2.952) 3.629 3.954 ( -5.060 0.000 3.817) 6.338 4.016 ( 6.499 0.000 1.374) 6.643 4.090 ( 4.758 0.000 -12.627) 13.494 4.254 ( 7.995 0.000 23.083) 24.428 4.259 ( -0.212 0.000 3.864) 3.870 4.274 ( -4.261 0.000 0.954) 4.366 4.373 ( -2.802 0.000 -4.073) 4.944 4.528 ( -3.360 0.000 13.223) 13.643 4.881 ( -10.971 0.000 -11.454) 15.860 4.984 ( -1.730 0.000 8.234) 8.414 5.026 ( -2.787 0.000 -2.089) 3.484 5.240 ( 6.624 0.000 2.078) 6.942 5.267 ( 0.187 0.000 -6.258) 6.261 5.318 ( 9.505 0.000 3.292) 10.059 5.524 ( 8.033 0.000 11.765) 14.246 5.582 ( -5.145 0.000 1.745) 5.433 5.600 ( 1.758 0.000 0.072) 1.760 5.716 ( 4.141 0.000 8.131) 9.124 5.744 ( -12.101 0.000 -7.865) 14.432 5.910 ( 4.002 0.000 -0.535) 4.038 5.959 ( 1.899 0.000 -5.149) 5.488 6.074 ( 3.758 0.000 7.377) 8.280 6.167 ( -6.704 0.000 -4.520) 8.085 6.209 ( 5.684 0.000 4.426) 7.204 6.254 ( 11.154 0.000 8.381) 13.952 6.297 ( -5.148 0.000 -0.222) 5.153 6.504 ( -3.696 0.000 -11.056) 11.657 6.504 ( 3.637 0.000 -0.240) 3.645 6.578 ( -8.730 0.000 -12.260) 15.051 6.671 ( -2.625 0.000 11.240) 11.543 6.826 ( 2.170 0.000 -1.658) 2.731 6.988 ( -5.045 0.000 0.132) 5.047 7.054 ( -1.772 0.000 -7.053) 7.272 7.120 ( 3.400 0.000 1.820) 3.857 7.174 ( 1.116 0.000 -0.443) 1.201 7.220 ( -1.904 0.000 1.862) 2.663 7.287 ( 3.156 0.000 -10.408) 10.876 7.312 ( 1.964 0.000 -0.173) 1.972 7.335 ( -5.514 0.000 0.863) 5.581 7.428 ( 1.888 0.000 -2.153) 2.864 7.443 ( -1.265 0.000 -5.783) 5.919 7.545 ( -6.163 0.000 -3.657) 7.167 7.566 ( 2.588 0.000 -1.651) 3.069 7.585 ( -4.666 0.000 3.607) 5.897 7.680 ( 11.891 0.000 -5.102) 12.940 7.980 ( -17.263 0.000 -0.752) 17.279 7.983 ( 10.698 0.000 -0.114) 10.698 7.998 ( 10.657 0.000 -0.167) 10.659 8.102 ( -8.034 0.000 -7.706) 11.132 8.273 ( 8.171 0.000 0.169) 8.172 8.321 ( -12.129 0.000 -5.404) 13.279 8.440 ( 8.032 0.000 7.800) 11.196 8.475 ( -12.778 0.000 -0.237) 12.781 8.536 ( 4.475 0.000 6.743) 8.093 8.545 ( -1.209 0.000 0.924) 1.521 8.584 ( 6.370 0.000 0.491) 6.389 8.649 ( -0.602 0.000 -4.701) 4.739 8.859 ( 3.500 0.000 5.208) 6.275 8.941 ( -5.958 0.000 1.640) 6.179 8.969 ( 4.832 0.000 1.569) 5.080 9.010 ( -0.846 0.000 3.369) 3.473 9.088 ( 1.572 0.000 -10.069) 10.191 9.132 ( 4.320 0.000 -1.899) 4.719 9.188 ( 4.121 0.000 -0.101) 4.123 9.235 ( 0.002 0.000 -6.602) 6.602 9.616 ( -2.205 0.000 3.182) 3.871 9.676 ( 3.526 0.000 -4.987) 6.108 9.879 ( -2.453 0.000 4.216) 4.877 9.904 ( -1.061 0.000 3.488) 3.645 9.926 ( 1.080 0.000 -2.486) 2.710 10.025 ( -6.345 0.000 -5.915) 8.674 10.276 ( -8.460 0.000 10.144) 13.209 10.396 ( -9.651 0.000 4.551) 10.670 10.419 ( 13.583 0.000 -2.555) 13.821 10.470 ( 10.812 0.000 -3.909) 11.497 10.551 ( -3.800 0.000 6.667) 7.674 10.618 ( 8.849 0.000 5.368) 10.350 10.630 ( 2.867 0.000 6.470) 7.077 10.726 ( 4.676 0.000 1.001) 4.782 10.749 ( 1.140 0.000 14.475) 14.520 10.916 ( -5.272 0.000 -4.863) 7.172 10.920 ( -1.040 0.000 -6.497) 6.580 11.040 ( -9.869 0.000 -10.565) 14.458 11.164 ( -0.248 0.000 10.386) 10.389 11.293 ( 5.965 0.000 7.212) 9.359 11.335 ( -5.646 0.000 -1.350) 5.805 11.347 ( 1.942 0.000 -5.178) 5.530 11.498 ( 4.891 0.000 8.458) 9.770 11.571 ( 4.637 0.000 3.183) 5.625 11.600 ( -1.671 0.000 -3.601) 3.970 11.641 ( -2.145 0.000 -5.601) 5.998 11.901 ( 6.634 0.000 0.921) 6.698 11.961 ( -9.975 0.000 -3.295) 10.505 12.005 ( 4.666 0.000 6.067) 7.654 12.030 ( -0.982 0.000 3.010) 3.166 12.123 ( -4.104 0.000 4.934) 6.418 12.170 ( -1.219 0.000 -1.285) 1.771 12.266 ( 8.413 0.000 1.242) 8.504 12.280 ( -4.895 0.000 0.769) 4.955 12.436 ( 5.153 0.000 0.050) 5.154 12.482 ( -6.575 0.000 0.645) 6.607 12.532 ( 7.360 0.000 0.124) 7.361 12.583 ( -2.289 0.000 -2.731) 3.563 12.834 ( 1.850 0.000 9.920) 10.092 12.869 ( -9.295 0.000 4.679) 10.406 12.940 ( -0.971 0.000 11.806) 11.846 13.044 ( 3.454 0.000 -4.302) 5.517 13.144 ( -0.033 0.000 -6.334) 6.334 13.164 ( -2.328 0.000 6.694) 7.087 13.259 ( 1.480 0.000 -11.357) 11.453 13.409 ( -4.872 0.000 -18.278) 18.916 13.503 ( 3.371 0.000 -2.229) 4.042 13.544 ( -3.868 0.000 -5.398) 6.641 13.682 ( 5.359 0.000 -0.879) 5.430 13.767 ( -2.392 0.000 -8.934) 9.248 13.887 ( 4.812 0.000 -0.095) 4.813 13.895 ( -3.175 0.000 -3.141) 4.466 14.024 ( -8.279 0.000 0.309) 8.285 14.070 ( 6.116 0.000 -3.918) 7.263 14.164 ( 5.539 0.000 7.775) 9.546 14.298 ( -9.296 0.000 -5.287) 10.694 14.416 ( 5.455 0.000 -0.532) 5.480 14.437 ( -1.805 0.000 -2.998) 3.499 14.716 ( 4.725 0.000 5.795) 7.477 14.797 ( -4.524 0.000 -2.043) 4.964 14.904 ( -8.450 0.000 0.032) 8.450 14.907 ( 4.249 0.000 0.275) 4.258 14.951 ( 2.456 0.000 1.947) 3.134 15.020 ( -1.464 0.000 -5.550) 5.740 15.128 ( 5.747 0.000 3.114) 6.536 15.186 ( -4.772 0.000 -3.242) 5.769 15.407 ( 7.378 0.000 4.572) 8.680 15.459 ( -7.992 0.000 -0.267) 7.996 15.595 ( 3.393 0.000 5.859) 6.771 15.658 ( 0.392 0.000 -1.708) 1.752 15.721 ( -1.703 0.000 3.254) 3.673 15.805 ( 0.233 0.000 -4.953) 4.958 15.885 ( 6.814 0.000 3.841) 7.822 15.971 ( -11.029 0.000 -4.114) 11.771 16.057 ( 3.204 0.000 -0.996) 3.356 16.060 ( -2.657 0.000 -0.281) 2.672 16.282 ( -4.861 0.000 4.220) 6.437 16.321 ( 0.512 0.000 2.528) 2.580 16.353 ( 0.252 0.000 0.412) 0.483 16.405 ( 1.553 0.000 -7.100) 7.268 16.584 ( -0.681 0.000 0.732) 1.000 16.611 ( 0.179 0.000 -2.297) 2.304 17.409 ( 7.264 0.000 3.747) 8.173 17.495 ( -5.324 0.000 -5.458) 7.625 17.563 ( 7.766 0.000 4.384) 8.918 17.640 ( -8.385 0.000 -2.790) 8.837 18.413 ( 6.664 0.000 -1.595) 6.852 18.413 ( -6.434 0.000 -1.862) 6.698 18.527 ( -8.098 0.000 5.461) 9.768 18.629 ( 10.075 0.000 -5.291) 11.379 19.163 ( -5.446 0.000 3.834) 6.660 19.233 ( 6.783 0.000 -3.574) 7.667 19.981 ( -5.448 0.000 5.131) 7.484 20.001 ( 2.060 0.000 4.008) 4.506 20.306 ( -10.569 0.000 -3.097) 11.014 20.354 ( 14.960 0.000 -7.025) 16.527 20.608 ( 1.798 0.000 10.795) 10.943 20.768 ( -2.660 0.000 -6.243) 6.786 21.038 ( 0.167 0.000 1.763) 1.771 21.083 ( -0.454 0.000 -3.394) 3.424 21.440 ( 8.535 0.000 3.262) 9.137 21.444 ( 0.676 0.000 2.154) 2.257 21.679 ( -5.544 0.000 4.091) 6.890 21.862 ( -0.899 0.000 -13.040) 13.071 22.030 ( 14.980 0.000 2.219) 15.144 22.053 ( -16.415 0.000 0.558) 16.424 22.570 ( 1.200 0.000 6.744) 6.850 22.704 ( -2.366 0.000 -8.068) 8.407 23.001 ( -6.275 0.000 0.837) 6.331 23.021 ( 5.768 0.000 -1.099) 5.872 24.047 ( -2.507 0.000 0.923) 2.672 24.105 ( 3.575 0.000 -5.003) 6.149 24.690 ( -1.449 0.000 1.525) 2.104 24.725 ( 4.348 0.000 -2.070) 4.815 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 5.851 0.000 -9.730) 11.354 1.915 ( 6.689 0.000 -9.707) 11.789 1.955 ( 2.919 0.000 5.681) 6.387 2.092 ( 5.316 0.000 6.556) 8.441 2.126 ( 1.665 0.000 1.596) 2.307 2.163 ( 2.237 0.000 -3.315) 3.999 2.239 ( 1.653 0.000 -6.402) 6.612 2.254 ( -0.115 0.000 0.072) 0.135 2.300 ( 5.230 0.000 3.607) 6.353 2.365 ( 5.921 0.000 5.304) 7.949 2.470 ( -4.530 0.000 1.189) 4.683 2.590 ( -0.578 0.000 -0.759) 0.954 2.771 ( -0.756 0.000 4.111) 4.180 2.781 ( -4.961 0.000 -2.679) 5.639 3.031 ( 6.425 0.000 4.074) 7.607 3.128 ( -3.849 0.000 -0.543) 3.887 3.155 ( 4.129 0.000 8.441) 9.396 3.272 ( 0.233 0.000 4.194) 4.201 3.383 ( 3.908 0.000 6.584) 7.656 3.399 ( 6.831 0.000 -2.260) 7.196 3.455 ( 3.210 0.000 6.019) 6.822 3.463 ( -3.025 0.000 -4.782) 5.659 3.566 ( 9.997 0.000 0.434) 10.006 3.581 ( 7.113 0.000 4.533) 8.434 3.895 ( -2.255 0.000 1.284) 2.595 3.982 ( -0.369 0.000 5.080) 5.094 4.025 ( 2.186 0.000 -7.588) 7.897 4.052 ( 1.523 0.000 -8.747) 8.879 4.204 ( -6.497 0.000 -4.092) 7.678 4.273 ( -1.411 0.000 -3.213) 3.509 4.363 ( 2.761 0.000 0.245) 2.772 4.365 ( 0.869 0.000 6.261) 6.321 4.603 ( -5.694 0.000 -11.295) 12.649 4.943 ( 14.101 0.000 25.176) 28.856 5.004 ( -2.893 0.000 5.259) 6.002 5.017 ( -1.486 0.000 4.080) 4.342 5.180 ( -3.488 0.000 -4.195) 5.456 5.271 ( 3.836 0.000 -1.742) 4.213 5.275 ( -7.315 0.000 -24.842) 25.897 5.489 ( -5.317 0.000 -7.685) 9.345 5.552 ( 3.459 0.000 9.561) 10.168 5.663 ( -5.143 0.000 2.506) 5.721 5.685 ( -0.710 0.000 -8.532) 8.561 5.821 ( 3.582 0.000 6.797) 7.683 5.872 ( -3.076 0.000 -4.446) 5.406 5.953 ( 3.875 0.000 1.730) 4.243 6.029 ( -6.096 0.000 -10.434) 12.084 6.133 ( -10.610 0.000 -8.497) 13.593 6.184 ( -5.040 0.000 -6.149) 7.951 6.219 ( 3.136 0.000 7.242) 7.892 6.334 ( 1.844 0.000 6.331) 6.594 6.441 ( -5.074 0.000 0.102) 5.075 6.469 ( 2.247 0.000 6.496) 6.874 6.633 ( 7.438 0.000 8.234) 11.096 6.759 ( -0.044 0.000 -9.067) 9.067 6.763 ( -4.055 0.000 0.875) 4.149 6.933 ( -8.601 0.000 3.588) 9.319 7.031 ( 2.413 0.000 6.205) 6.658 7.075 ( -6.907 0.000 -5.236) 8.667 7.135 ( -2.593 0.000 2.141) 3.363 7.210 ( 0.004 0.000 3.421) 3.421 7.248 ( -1.499 0.000 1.023) 1.815 7.316 ( 0.939 0.000 -2.251) 2.439 7.346 ( -4.106 0.000 3.290) 5.262 7.355 ( -8.323 0.000 1.625) 8.480 7.426 ( -0.299 0.000 0.890) 0.938 7.455 ( -5.334 0.000 -2.540) 5.908 7.582 ( 1.305 0.000 2.278) 2.626 7.606 ( 4.998 0.000 1.606) 5.249 7.733 ( 9.702 0.000 -5.232) 11.023 7.775 ( -10.276 0.000 3.854) 10.975 7.907 ( -7.306 0.000 -0.552) 7.327 8.128 ( 5.009 0.000 2.511) 5.603 8.148 ( -8.128 0.000 -0.231) 8.132 8.213 ( 10.660 0.000 2.731) 11.004 8.276 ( -14.214 0.000 3.699) 14.687 8.445 ( 10.728 0.000 6.169) 12.376 8.515 ( 0.683 0.000 -2.715) 2.800 8.520 ( -2.418 0.000 -11.089) 11.350 8.603 ( 1.039 0.000 0.725) 1.267 8.678 ( 4.078 0.000 -0.568) 4.117 8.691 ( 4.098 0.000 0.579) 4.139 8.806 ( -7.566 0.000 -8.673) 11.510 8.963 ( -1.604 0.000 9.730) 9.861 8.989 ( 2.475 0.000 -7.628) 8.020 9.060 ( 7.230 0.000 -4.615) 8.577 9.064 ( -0.053 0.000 7.127) 7.127 9.108 ( 0.798 0.000 -7.608) 7.650 9.174 ( 6.935 0.000 -0.734) 6.973 9.227 ( 1.915 0.000 -2.489) 3.140 9.579 ( -5.766 0.000 4.889) 7.560 9.662 ( 1.501 0.000 -1.804) 2.347 9.837 ( -6.353 0.000 5.184) 8.199 9.838 ( -5.715 0.000 -2.006) 6.057 9.969 ( -7.801 0.000 10.596) 13.158 9.992 ( 5.679 0.000 -4.196) 7.061 10.229 ( -11.578 0.000 4.140) 12.296 10.360 ( 3.524 0.000 1.932) 4.019 10.480 ( -7.592 0.000 1.103) 7.672 10.508 ( 11.040 0.000 -11.022) 15.600 10.536 ( -0.107 0.000 -8.437) 8.438 10.623 ( -4.447 0.000 -10.027) 10.969 10.679 ( -6.053 0.000 -12.460) 13.852 10.730 ( 5.775 0.000 0.603) 5.806 10.838 ( 7.960 0.000 -8.786) 11.856 10.931 ( 4.976 0.000 6.688) 8.336 10.945 ( 4.090 0.000 6.323) 7.531 11.004 ( 1.418 0.000 18.576) 18.630 11.188 ( -4.907 0.000 -4.743) 6.825 11.273 ( -0.414 0.000 7.971) 7.981 11.283 ( -1.273 0.000 -10.283) 10.362 11.442 ( 6.474 0.000 0.007) 6.474 11.467 ( -5.747 0.000 -7.299) 9.290 11.565 ( -1.021 0.000 -3.717) 3.855 11.601 ( 0.708 0.000 -0.076) 0.712 11.658 ( 3.268 0.000 2.113) 3.892 11.816 ( -3.501 0.000 -1.316) 3.740 11.961 ( -5.445 0.000 1.060) 5.547 12.000 ( -1.366 0.000 -5.114) 5.293 12.084 ( -7.610 0.000 3.228) 8.267 12.114 ( 2.266 0.000 4.326) 4.883 12.171 ( 4.991 0.000 3.108) 5.879 12.211 ( 0.021 0.000 -5.751) 5.751 12.345 ( -5.412 0.000 -4.778) 7.219 12.424 ( -4.535 0.000 -0.428) 4.556 12.445 ( 10.085 0.000 0.482) 10.096 12.613 ( 2.014 0.000 0.598) 2.101 12.621 ( 7.507 0.000 -2.809) 8.015 12.828 ( -4.617 0.000 -1.088) 4.744 12.933 ( -7.532 0.000 7.637) 10.726 12.935 ( 0.923 0.000 1.438) 1.709 13.052 ( -1.304 0.000 -11.495) 11.568 13.124 ( 3.574 0.000 -0.653) 3.633 13.177 ( 1.171 0.000 9.192) 9.266 13.224 ( 1.345 0.000 -1.373) 1.922 13.348 ( -1.322 0.000 9.426) 9.518 13.416 ( -2.907 0.000 4.792) 5.605 13.573 ( 1.395 0.000 -0.778) 1.597 13.588 ( -7.628 0.000 -4.247) 8.730 13.655 ( -4.932 0.000 9.121) 10.369 13.899 ( 5.206 0.000 -0.826) 5.271 13.910 ( -3.461 0.000 -0.640) 3.519 14.077 ( -2.661 0.000 -2.050) 3.359 14.085 ( 10.758 0.000 2.850) 11.129 14.195 ( 5.395 0.000 -2.782) 6.070 14.340 ( -6.424 0.000 -4.100) 7.621 14.400 ( 9.666 0.000 8.570) 12.918 14.455 ( 1.960 0.000 -0.218) 1.972 14.682 ( -4.943 0.000 -4.515) 6.694 14.788 ( -7.613 0.000 3.390) 8.334 14.838 ( 2.976 0.000 2.744) 4.048 14.990 ( 5.856 0.000 2.930) 6.548 14.995 ( 3.461 0.000 -3.280) 4.769 15.049 ( 4.195 0.000 2.481) 4.874 15.078 ( -2.862 0.000 -2.558) 3.838 15.247 ( 5.852 0.000 2.519) 6.371 15.325 ( -6.236 0.000 -2.583) 6.750 15.562 ( 5.692 0.000 0.772) 5.744 15.587 ( -3.319 0.000 -6.076) 6.923 15.609 ( -5.517 0.000 0.726) 5.565 15.721 ( -4.533 0.000 -3.433) 5.686 15.798 ( 4.654 0.000 5.887) 7.504 15.848 ( -0.544 0.000 -1.268) 1.380 15.981 ( -4.648 0.000 0.365) 4.663 16.086 ( 0.943 0.000 0.272) 0.981 16.105 ( 9.899 0.000 5.905) 11.526 16.284 ( -3.830 0.000 5.018) 6.313 16.350 ( -1.195 0.000 -2.212) 2.515 16.360 ( 2.659 0.000 -1.636) 3.122 16.366 ( 0.815 0.000 1.518) 1.723 16.577 ( -1.704 0.000 -0.171) 1.712 16.579 ( -2.097 0.000 1.719) 2.712 17.342 ( -4.287 0.000 -4.710) 6.369 17.521 ( -2.091 0.000 -3.767) 4.309 17.537 ( 4.674 0.000 3.360) 5.757 17.792 ( 13.253 0.000 4.020) 13.849 18.318 ( -4.868 0.000 0.165) 4.870 18.460 ( -8.683 0.000 4.267) 9.675 18.500 ( 5.366 0.000 0.690) 5.410 18.679 ( 7.351 0.000 -7.376) 10.414 19.131 ( -4.003 0.000 2.747) 4.855 19.283 ( 6.700 0.000 -4.607) 8.131 19.929 ( -7.612 0.000 2.651) 8.061 20.030 ( -1.931 0.000 -0.204) 1.941 20.153 ( -7.526 0.000 1.406) 7.656 20.495 ( 13.293 0.000 -3.860) 13.842 20.626 ( -3.662 0.000 -8.483) 9.240 20.741 ( -0.146 0.000 7.795) 7.796 21.057 ( 1.430 0.000 -1.211) 1.874 21.076 ( 0.947 0.000 2.445) 2.622 21.340 ( -8.037 0.000 -5.926) 9.986 21.430 ( -4.087 0.000 -5.029) 6.480 21.736 ( -10.756 0.000 9.008) 14.030 21.825 ( 9.290 0.000 -5.963) 11.039 21.897 ( 0.704 0.000 4.229) 4.287 22.265 ( 11.158 0.000 1.626) 11.276 22.581 ( -1.912 0.000 -4.705) 5.079 22.679 ( 0.275 0.000 7.003) 7.008 22.929 ( -5.187 0.000 2.402) 5.716 23.091 ( 5.414 0.000 -1.220) 5.549 24.063 ( 1.079 0.000 3.184) 3.362 24.132 ( 7.086 0.000 -3.371) 7.847 24.643 ( -5.778 0.000 -0.149) 5.780 24.714 ( -0.581 0.000 -3.713) 3.759 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 8.495 0.000 -19.910) 21.647 1.886 ( 14.429 0.000 -14.077) 20.158 2.038 ( 1.130 0.000 0.162) 1.142 2.062 ( -1.535 0.000 -3.885) 4.178 2.123 ( 2.271 0.000 -5.837) 6.263 2.155 ( -1.285 0.000 -0.696) 1.462 2.216 ( 3.329 0.000 -3.805) 5.056 2.333 ( 8.880 0.000 2.705) 9.283 2.433 ( -2.916 0.000 0.205) 2.923 2.517 ( 2.398 0.000 5.669) 6.155 2.547 ( -1.140 0.000 -0.971) 1.497 2.558 ( 9.915 0.000 9.789) 13.933 2.728 ( -0.813 0.000 -0.484) 0.946 2.872 ( 6.221 0.000 0.781) 6.270 3.037 ( -6.201 0.000 3.396) 7.070 3.163 ( -1.000 0.000 1.881) 2.131 3.201 ( -9.039 0.000 -3.654) 9.750 3.262 ( -0.655 0.000 5.211) 5.252 3.386 ( 6.231 0.000 -1.830) 6.494 3.504 ( 1.616 0.000 5.883) 6.101 3.504 ( 5.701 0.000 2.107) 6.077 3.704 ( 12.283 0.000 9.014) 15.235 3.758 ( 4.231 0.000 -5.181) 6.689 3.784 ( 0.440 0.000 4.750) 4.771 3.817 ( 3.687 0.000 -4.322) 5.681 3.927 ( 3.369 0.000 -1.892) 3.864 4.013 ( 10.129 0.000 -7.358) 12.520 4.035 ( -5.084 0.000 -1.305) 5.249 4.135 ( -2.358 0.000 -1.903) 3.031 4.153 ( 4.307 0.000 -1.209) 4.473 4.314 ( -5.887 0.000 -12.734) 14.029 4.500 ( 0.575 0.000 11.775) 11.789 4.542 ( 6.188 0.000 7.392) 9.640 4.866 ( 7.983 0.000 -32.605) 33.568 5.026 ( -4.017 0.000 1.639) 4.338 5.034 ( -3.911 0.000 -2.178) 4.476 5.159 ( -5.323 0.000 20.780) 21.451 5.289 ( 2.483 0.000 1.573) 2.939 5.357 ( 7.458 0.000 2.046) 7.734 5.426 ( 0.213 0.000 2.171) 2.181 5.541 ( 6.510 0.000 -4.838) 8.111 5.579 ( -0.524 0.000 -1.125) 1.241 5.687 ( 1.117 0.000 6.459) 6.555 5.717 ( 0.083 0.000 -12.858) 12.858 5.870 ( -10.490 0.000 5.453) 11.822 5.879 ( -0.373 0.000 -2.340) 2.370 5.991 ( -2.373 0.000 -2.890) 3.740 6.017 ( -1.183 0.000 5.404) 5.532 6.076 ( 1.697 0.000 -5.326) 5.590 6.256 ( -3.982 0.000 -0.415) 4.003 6.392 ( 0.778 0.000 0.253) 0.818 6.410 ( -3.826 0.000 3.748) 5.356 6.548 ( -4.018 0.000 1.334) 4.233 6.612 ( -5.824 0.000 -8.719) 10.485 6.759 ( 2.301 0.000 8.043) 8.366 6.817 ( -9.183 0.000 3.422) 9.800 6.828 ( 1.983 0.000 4.695) 5.097 6.963 ( -4.130 0.000 -0.619) 4.176 7.014 ( -1.033 0.000 -2.096) 2.336 7.111 ( -12.493 0.000 -3.070) 12.864 7.123 ( -3.904 0.000 0.079) 3.905 7.208 ( -4.036 0.000 -0.708) 4.097 7.257 ( -3.720 0.000 -1.593) 4.046 7.270 ( 1.038 0.000 3.926) 4.061 7.318 ( -6.782 0.000 5.835) 8.946 7.507 ( -6.756 0.000 -3.611) 7.661 7.521 ( 2.828 0.000 5.744) 6.403 7.591 ( -1.828 0.000 -1.680) 2.483 7.625 ( 4.805 0.000 13.399) 14.235 7.764 ( -4.503 0.000 6.657) 8.036 7.909 ( 2.675 0.000 7.603) 8.060 7.933 ( 8.189 0.000 2.565) 8.582 8.035 ( -8.102 0.000 1.304) 8.206 8.129 ( -1.370 0.000 -4.871) 5.060 8.160 ( -8.807 0.000 2.636) 9.193 8.313 ( -3.956 0.000 -11.584) 12.241 8.364 ( 0.666 0.000 3.796) 3.854 8.455 ( -0.678 0.000 -3.136) 3.209 8.496 ( -0.697 0.000 -2.157) 2.267 8.522 ( -14.835 0.000 -6.883) 16.354 8.656 ( -2.468 0.000 -1.289) 2.784 8.675 ( 5.847 0.000 5.605) 8.100 8.737 ( 1.489 0.000 1.141) 1.876 8.945 ( 4.686 0.000 -5.752) 7.420 9.067 ( 2.874 0.000 -1.992) 3.497 9.122 ( 1.257 0.000 10.320) 10.397 9.127 ( -4.357 0.000 4.068) 5.961 9.138 ( 11.005 0.000 -0.506) 11.017 9.320 ( 15.877 0.000 -2.144) 16.022 9.371 ( 15.272 0.000 1.863) 15.385 9.602 ( -2.751 0.000 -12.389) 12.690 9.622 ( -2.558 0.000 9.398) 9.740 9.724 ( -4.600 0.000 -4.412) 6.374 9.795 ( -11.335 0.000 7.781) 13.749 9.931 ( -8.663 0.000 3.944) 9.519 10.050 ( 5.636 0.000 -1.037) 5.730 10.170 ( -3.946 0.000 3.167) 5.060 10.246 ( -7.980 0.000 -10.082) 12.858 10.362 ( -5.832 0.000 -0.809) 5.888 10.419 ( 1.438 0.000 -5.288) 5.480 10.471 ( 2.934 0.000 -6.419) 7.058 10.483 ( -3.309 0.000 -1.529) 3.646 10.561 ( 11.996 0.000 -17.999) 21.630 10.795 ( 3.332 0.000 -2.227) 4.007 10.879 ( 8.716 0.000 -7.984) 11.820 11.000 ( -2.834 0.000 -4.613) 5.414 11.059 ( 5.062 0.000 1.157) 5.193 11.098 ( -4.708 0.000 -5.265) 7.063 11.154 ( 2.948 0.000 -0.197) 2.955 11.202 ( -2.102 0.000 11.170) 11.366 11.304 ( -0.470 0.000 -9.245) 9.257 11.372 ( 3.724 0.000 4.913) 6.165 11.474 ( 2.841 0.000 -8.572) 9.031 11.479 ( 0.630 0.000 -4.924) 4.964 11.562 ( -1.618 0.000 0.410) 1.669 11.684 ( -1.428 0.000 1.342) 1.960 11.812 ( -0.647 0.000 -7.860) 7.886 11.847 ( -9.502 0.000 -0.645) 9.524 11.864 ( -2.659 0.000 -0.610) 2.728 12.025 ( -6.410 0.000 3.137) 7.136 12.129 ( 0.083 0.000 -3.699) 3.700 12.211 ( 2.706 0.000 -6.297) 6.854 12.243 ( -0.011 0.000 8.346) 8.346 12.271 ( -0.811 0.000 -0.028) 0.811 12.427 ( 2.625 0.000 -0.477) 2.668 12.448 ( -6.435 0.000 -5.179) 8.261 12.619 ( -1.460 0.000 0.772) 1.651 12.674 ( 5.420 0.000 -1.325) 5.580 12.704 ( -3.401 0.000 -3.416) 4.820 12.719 ( -2.149 0.000 -20.247) 20.361 13.019 ( -0.709 0.000 5.397) 5.443 13.050 ( -0.857 0.000 6.627) 6.682 13.125 ( -7.670 0.000 0.781) 7.710 13.234 ( 2.585 0.000 4.063) 4.816 13.344 ( -6.488 0.000 -0.068) 6.488 13.354 ( 6.307 0.000 7.717) 9.966 13.475 ( -5.350 0.000 0.134) 5.352 13.545 ( -0.986 0.000 12.341) 12.381 13.612 ( 3.980 0.000 9.304) 10.119 13.806 ( -0.820 0.000 6.288) 6.341 13.883 ( 0.507 0.000 6.162) 6.183 13.943 ( 2.427 0.000 -0.076) 2.428 14.080 ( -1.533 0.000 1.161) 1.923 14.198 ( -2.777 0.000 2.864) 3.989 14.229 ( 5.025 0.000 -0.701) 5.073 14.291 ( 7.168 0.000 0.957) 7.232 14.458 ( 0.606 0.000 0.370) 0.710 14.598 ( -1.864 0.000 0.087) 1.866 14.648 ( 8.095 0.000 6.708) 10.513 14.777 ( -2.233 0.000 5.850) 6.262 14.845 ( -2.942 0.000 -1.078) 3.134 14.937 ( -1.952 0.000 -3.710) 4.192 15.098 ( -0.392 0.000 0.186) 0.434 15.122 ( 7.715 0.000 -1.083) 7.790 15.132 ( 5.326 0.000 3.395) 6.316 15.232 ( -2.227 0.000 -1.438) 2.651 15.347 ( 4.655 0.000 -0.977) 4.757 15.431 ( -4.679 0.000 -7.336) 8.701 15.456 ( -5.773 0.000 -3.346) 6.673 15.643 ( -1.253 0.000 0.603) 1.391 15.652 ( -1.864 0.000 -1.151) 2.191 15.815 ( -5.737 0.000 -2.806) 6.386 15.845 ( 0.955 0.000 -0.407) 1.038 16.024 ( 4.773 0.000 5.560) 7.327 16.091 ( -0.022 0.000 -0.422) 0.423 16.193 ( -3.157 0.000 -5.860) 6.657 16.266 ( -3.102 0.000 0.096) 3.104 16.304 ( -1.096 0.000 4.559) 4.688 16.410 ( -1.795 0.000 4.863) 5.184 16.430 ( 6.800 0.000 2.311) 7.182 16.588 ( 1.646 0.000 0.388) 1.692 16.590 ( -0.762 0.000 5.002) 5.059 17.330 ( 5.241 0.000 3.128) 6.104 17.487 ( 0.800 0.000 0.014) 0.800 17.631 ( 3.415 0.000 1.407) 3.693 17.992 ( 10.068 0.000 -1.508) 10.181 18.275 ( -2.281 0.000 1.558) 2.762 18.404 ( -4.798 0.000 3.546) 5.967 18.576 ( 1.728 0.000 2.872) 3.352 18.666 ( 4.144 0.000 -7.743) 8.782 19.132 ( -0.582 0.000 3.427) 3.476 19.335 ( 7.624 0.000 -1.980) 7.877 19.852 ( -5.031 0.000 1.170) 5.165 19.954 ( -5.113 0.000 -2.434) 5.663 20.120 ( -1.434 0.000 2.396) 2.792 20.474 ( -1.272 0.000 -7.997) 8.097 20.641 ( 8.221 0.000 1.213) 8.310 20.790 ( -2.037 0.000 2.858) 3.510 21.069 ( -2.816 0.000 -3.542) 4.526 21.103 ( 4.838 0.000 1.006) 4.942 21.243 ( 0.824 0.000 3.802) 3.890 21.315 ( -2.563 0.000 -3.335) 4.206 21.589 ( -12.653 0.000 1.614) 12.755 21.882 ( 7.858 0.000 -6.910) 10.464 22.060 ( 1.239 0.000 10.692) 10.763 22.324 ( 0.258 0.000 -4.781) 4.788 22.565 ( 1.992 0.000 -0.153) 1.997 22.725 ( -4.675 0.000 4.897) 6.770 22.924 ( -2.886 0.000 5.598) 6.298 23.155 ( 5.798 0.000 -1.476) 5.983 24.152 ( 2.783 0.000 5.292) 5.979 24.228 ( 9.254 0.000 -0.733) 9.283 24.546 ( -5.652 0.000 0.383) 5.665 24.628 ( -3.341 0.000 -4.822) 5.866 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 10.588 0.000 -23.201) 25.502 1.899 ( 7.530 0.000 -12.274) 14.400 2.010 ( 0.158 0.000 -2.672) 2.676 2.048 ( 5.310 0.000 -3.850) 6.559 2.110 ( 3.069 0.000 -3.497) 4.653 2.136 ( -1.759 0.000 0.369) 1.797 2.278 ( 6.768 0.000 0.023) 6.768 2.346 ( -6.216 0.000 -1.415) 6.375 2.410 ( 0.510 0.000 -2.133) 2.193 2.492 ( -1.085 0.000 -1.287) 1.684 2.631 ( 3.245 0.000 3.216) 4.569 2.694 ( 0.807 0.000 -2.943) 3.051 2.739 ( 1.580 0.000 3.344) 3.699 2.907 ( 3.420 0.000 -5.251) 6.267 2.945 ( -8.554 0.000 -10.040) 13.190 3.041 ( -8.250 0.000 10.649) 13.470 3.151 ( -2.433 0.000 2.915) 3.797 3.338 ( -0.409 0.000 8.922) 8.932 3.491 ( -5.889 0.000 -3.248) 6.726 3.525 ( -2.494 0.000 -5.340) 5.894 3.569 ( 8.582 0.000 -2.095) 8.834 3.616 ( -10.653 0.000 -5.818) 12.138 3.674 ( 4.895 0.000 -1.761) 5.202 3.838 ( -10.214 0.000 -0.667) 10.236 3.849 ( 11.151 0.000 -13.061) 17.173 3.987 ( -1.726 0.000 8.169) 8.350 4.019 ( 1.412 0.000 -4.493) 4.710 4.086 ( 5.683 0.000 0.878) 5.751 4.124 ( 7.836 0.000 -0.753) 7.872 4.167 ( 2.628 0.000 -6.237) 6.768 4.277 ( 9.464 0.000 2.986) 9.924 4.691 ( 19.175 0.000 -23.622) 30.425 4.718 ( 6.201 0.000 4.343) 7.570 4.790 ( 16.594 0.000 10.301) 19.532 4.935 ( -3.592 0.000 -1.549) 3.912 5.068 ( 2.044 0.000 7.760) 8.025 5.360 ( 6.297 0.000 -0.414) 6.311 5.362 ( -0.412 0.000 -0.225) 0.470 5.367 ( 0.881 0.000 14.981) 15.007 5.495 ( 3.290 0.000 -1.987) 3.843 5.638 ( -0.355 0.000 4.359) 4.374 5.677 ( 2.396 0.000 0.769) 2.517 5.713 ( -2.006 0.000 7.130) 7.407 5.769 ( 0.460 0.000 0.829) 0.948 5.795 ( -3.666 0.000 0.175) 3.670 5.812 ( 1.051 0.000 15.291) 15.327 5.997 ( 1.854 0.000 3.231) 3.725 6.046 ( -3.141 0.000 1.751) 3.596 6.144 ( 12.307 0.000 -0.693) 12.326 6.156 ( -8.439 0.000 -1.477) 8.568 6.320 ( -8.760 0.000 -0.182) 8.762 6.360 ( -5.417 0.000 -1.021) 5.512 6.483 ( 1.445 0.000 -3.356) 3.654 6.495 ( -3.024 0.000 -3.593) 4.696 6.688 ( -11.484 0.000 -9.340) 14.802 6.785 ( -9.005 0.000 10.685) 13.973 6.834 ( -4.129 0.000 6.943) 8.078 6.854 ( -5.754 0.000 1.451) 5.934 6.996 ( -1.155 0.000 2.589) 2.835 7.006 ( -5.266 0.000 3.476) 6.310 7.051 ( -2.189 0.000 -0.165) 2.195 7.171 ( -1.413 0.000 6.433) 6.586 7.213 ( -7.048 0.000 -5.506) 8.944 7.288 ( 7.920 0.000 0.892) 7.970 7.343 ( -8.015 0.000 3.970) 8.945 7.480 ( 8.866 0.000 7.933) 11.897 7.489 ( -6.928 0.000 -1.069) 7.010 7.570 ( -4.367 0.000 3.177) 5.400 7.788 ( -3.035 0.000 4.402) 5.347 7.844 ( -4.949 0.000 10.493) 11.602 7.893 ( 1.865 0.000 -9.881) 10.056 7.933 ( -6.436 0.000 0.711) 6.475 8.033 ( -5.919 0.000 -3.074) 6.669 8.076 ( 1.417 0.000 -0.371) 1.465 8.087 ( -0.317 0.000 -4.309) 4.321 8.223 ( 5.128 0.000 7.169) 8.814 8.290 ( -2.978 0.000 -5.439) 6.201 8.317 ( -5.896 0.000 0.844) 5.956 8.482 ( 0.909 0.000 3.403) 3.522 8.618 ( 8.003 0.000 3.297) 8.656 8.634 ( -0.066 0.000 0.425) 0.430 8.734 ( -0.655 0.000 -2.013) 2.117 8.793 ( 2.749 0.000 3.295) 4.291 8.976 ( 4.718 0.000 -0.950) 4.812 9.023 ( -1.227 0.000 -10.444) 10.516 9.147 ( -0.244 0.000 5.582) 5.587 9.175 ( 4.479 0.000 -1.514) 4.728 9.352 ( 5.285 0.000 3.550) 6.367 9.407 ( 1.115 0.000 -9.686) 9.750 9.440 ( -0.711 0.000 1.917) 2.045 9.521 ( -2.446 0.000 -0.076) 2.447 9.629 ( -7.078 0.000 -0.532) 7.098 9.699 ( 12.892 0.000 -0.643) 12.908 9.775 ( -6.668 0.000 -9.189) 11.353 9.801 ( 0.070 0.000 6.135) 6.135 9.869 ( -0.850 0.000 -19.027) 19.046 10.156 ( -0.060 0.000 0.589) 0.592 10.237 ( 0.323 0.000 -11.157) 11.162 10.363 ( -0.207 0.000 10.300) 10.302 10.365 ( 3.124 0.000 -2.800) 4.195 10.478 ( 2.543 0.000 -0.769) 2.657 10.494 ( 2.555 0.000 4.152) 4.876 10.575 ( 11.106 0.000 0.863) 11.140 10.767 ( -4.630 0.000 -11.031) 11.963 10.768 ( -1.858 0.000 -2.820) 3.377 10.979 ( 4.945 0.000 -3.732) 6.195 11.010 ( 3.142 0.000 -1.820) 3.631 11.118 ( 4.335 0.000 -2.966) 5.253 11.167 ( 1.656 0.000 -4.077) 4.400 11.213 ( -5.905 0.000 -0.273) 5.911 11.262 ( 7.166 0.000 -6.270) 9.522 11.294 ( -9.920 0.000 -1.002) 9.971 11.507 ( 9.020 0.000 -8.130) 12.143 11.549 ( 7.425 0.000 3.740) 8.313 11.564 ( 0.051 0.000 1.878) 1.878 11.620 ( -5.005 0.000 -8.715) 10.050 11.663 ( -10.049 0.000 0.506) 10.061 11.755 ( 1.564 0.000 4.669) 4.924 11.837 ( -9.129 0.000 0.009) 9.129 11.967 ( -3.350 0.000 3.650) 4.954 12.098 ( 0.643 0.000 -3.563) 3.620 12.134 ( -3.212 0.000 -5.616) 6.469 12.162 ( -13.039 0.000 -2.185) 13.221 12.224 ( -1.187 0.000 -9.616) 9.689 12.378 ( -4.015 0.000 -12.009) 12.663 12.407 ( 2.537 0.000 6.891) 7.343 12.506 ( 0.621 0.000 -1.670) 1.781 12.542 ( -8.497 0.000 -3.938) 9.365 12.633 ( 0.265 0.000 -1.884) 1.902 12.811 ( 7.159 0.000 2.265) 7.509 12.948 ( -2.304 0.000 -5.776) 6.218 13.063 ( -1.613 0.000 -3.079) 3.476 13.122 ( -3.484 0.000 5.481) 6.495 13.279 ( 0.022 0.000 0.282) 0.283 13.284 ( -4.680 0.000 7.119) 8.520 13.442 ( 9.434 0.000 -0.196) 9.436 13.585 ( -0.547 0.000 9.701) 9.717 13.655 ( -2.994 0.000 10.644) 11.057 13.730 ( -2.380 0.000 4.792) 5.351 13.774 ( -0.165 0.000 -2.671) 2.676 13.957 ( -0.699 0.000 -0.836) 1.090 13.996 ( -2.440 0.000 6.115) 6.584 14.113 ( 5.772 0.000 4.561) 7.357 14.208 ( -2.433 0.000 -3.865) 4.568 14.258 ( -2.091 0.000 6.118) 6.465 14.475 ( 0.430 0.000 0.230) 0.488 14.485 ( 10.867 0.000 7.101) 12.982 14.607 ( 1.100 0.000 1.500) 1.860 14.720 ( -2.926 0.000 -1.090) 3.123 14.791 ( -2.195 0.000 0.598) 2.276 14.852 ( 1.835 0.000 6.162) 6.429 14.988 ( 5.375 0.000 8.820) 10.329 15.020 ( -5.999 0.000 -3.230) 6.813 15.172 ( -0.317 0.000 -3.308) 3.323 15.176 ( 4.780 0.000 -4.416) 6.508 15.239 ( 1.819 0.000 -0.824) 1.997 15.307 ( 0.377 0.000 -4.681) 4.696 15.321 ( -0.431 0.000 -7.001) 7.015 15.407 ( -0.827 0.000 0.522) 0.978 15.560 ( -5.289 0.000 -2.742) 5.958 15.611 ( -3.439 0.000 0.602) 3.492 15.686 ( -4.344 0.000 -3.130) 5.355 15.869 ( 2.162 0.000 0.731) 2.282 15.995 ( -5.811 0.000 -0.263) 5.817 16.082 ( 0.601 0.000 -1.451) 1.571 16.206 ( -2.223 0.000 -2.169) 3.105 16.260 ( 3.330 0.000 4.586) 5.667 16.369 ( 5.219 0.000 4.582) 6.945 16.421 ( -4.939 0.000 5.766) 7.593 16.506 ( 0.901 0.000 -2.722) 2.868 16.588 ( 1.463 0.000 -2.881) 3.231 16.681 ( 0.977 0.000 7.466) 7.530 17.500 ( 3.902 0.000 6.658) 7.718 17.548 ( 4.405 0.000 4.255) 6.124 17.659 ( 0.496 0.000 -1.632) 1.706 18.022 ( 2.062 0.000 -7.652) 7.925 18.301 ( 0.605 0.000 4.535) 4.575 18.414 ( -0.513 0.000 4.308) 4.338 18.613 ( 2.975 0.000 -5.127) 5.927 18.629 ( -1.486 0.000 1.696) 2.255 19.207 ( 2.893 0.000 5.664) 6.360 19.502 ( 11.173 0.000 6.301) 12.827 19.826 ( -1.057 0.000 1.707) 2.007 19.841 ( -4.145 0.000 -4.250) 5.937 20.117 ( -1.573 0.000 0.299) 1.601 20.458 ( 7.801 0.000 -0.885) 7.851 20.677 ( -8.238 0.000 1.315) 8.342 20.843 ( 9.948 0.000 -0.006) 9.948 21.006 ( -0.748 0.000 -0.599) 0.958 21.206 ( 5.356 0.000 1.601) 5.590 21.298 ( 0.988 0.000 2.276) 2.481 21.378 ( 4.823 0.000 8.271) 9.575 21.425 ( -9.682 0.000 -1.113) 9.746 21.876 ( 4.637 0.000 -8.832) 9.975 22.150 ( -4.443 0.000 7.655) 8.851 22.215 ( -4.710 0.000 -5.913) 7.559 22.571 ( 3.260 0.000 -5.560) 6.446 22.667 ( -8.591 0.000 2.203) 8.869 22.963 ( -3.722 0.000 8.924) 9.669 23.222 ( 5.764 0.000 -2.066) 6.123 24.211 ( -2.388 0.000 2.346) 3.348 24.363 ( 6.008 0.000 1.039) 6.098 24.521 ( 0.341 0.000 -5.431) 5.442 24.547 ( -0.618 0.000 6.946) 6.974 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.909 0.000 -12.565) 16.002 1.775 ( -7.321 0.000 -8.500) 11.219 2.004 ( 3.126 0.000 -1.972) 3.696 2.065 ( -1.380 0.000 -3.563) 3.821 2.079 ( 1.146 0.000 -2.292) 2.563 2.099 ( -2.554 0.000 -0.810) 2.680 2.317 ( 3.005 0.000 3.652) 4.729 2.367 ( -0.219 0.000 -1.485) 1.501 2.409 ( 6.730 0.000 2.840) 7.305 2.467 ( -0.706 0.000 -1.048) 1.264 2.686 ( -4.476 0.000 -7.728) 8.931 2.702 ( 2.345 0.000 1.634) 2.858 2.741 ( -2.038 0.000 2.173) 2.979 2.754 ( 7.130 0.000 -2.851) 7.679 2.852 ( -1.061 0.000 -7.551) 7.626 3.002 ( -14.638 0.000 6.106) 15.861 3.166 ( 0.375 0.000 -0.086) 0.385 3.295 ( -11.193 0.000 -3.722) 11.796 3.351 ( -11.060 0.000 -8.650) 14.041 3.359 ( -2.603 0.000 -2.931) 3.920 3.467 ( -3.090 0.000 10.582) 11.024 3.605 ( 4.358 0.000 -1.472) 4.599 3.699 ( -6.741 0.000 -0.881) 6.799 3.771 ( 10.101 0.000 -5.995) 11.746 3.850 ( 1.842 0.000 -6.009) 6.285 3.878 ( -6.313 0.000 -3.512) 7.224 4.019 ( 1.448 0.000 1.984) 2.456 4.215 ( 5.197 0.000 3.131) 6.067 4.269 ( 13.961 0.000 1.896) 14.090 4.285 ( 5.867 0.000 1.323) 6.014 4.415 ( 5.753 0.000 1.398) 5.920 4.696 ( -1.578 0.000 -9.177) 9.312 4.780 ( 27.171 0.000 -15.811) 31.436 5.008 ( -3.733 0.000 11.944) 12.514 5.179 ( 1.800 0.000 5.183) 5.487 5.209 ( -28.355 0.000 -6.476) 29.085 5.249 ( 24.010 0.000 4.744) 24.475 5.398 ( 2.656 0.000 -1.342) 2.976 5.457 ( 0.318 0.000 -2.048) 2.072 5.525 ( -2.554 0.000 5.140) 5.740 5.551 ( -10.333 0.000 -9.050) 13.736 5.659 ( -3.383 0.000 2.845) 4.420 5.668 ( -1.741 0.000 15.486) 15.584 5.804 ( 3.469 0.000 -1.141) 3.652 5.829 ( 5.894 0.000 3.653) 6.934 5.994 ( -0.223 0.000 2.730) 2.739 6.031 ( -3.025 0.000 10.184) 10.624 6.095 ( -2.408 0.000 1.780) 2.995 6.120 ( 3.604 0.000 9.075) 9.764 6.179 ( -10.873 0.000 1.565) 10.985 6.257 ( 3.636 0.000 -6.578) 7.516 6.375 ( -6.395 0.000 -1.642) 6.602 6.428 ( -8.833 0.000 4.984) 10.142 6.470 ( 16.842 0.000 0.506) 16.849 6.546 ( 2.400 0.000 -5.792) 6.270 6.773 ( -12.918 0.000 -4.899) 13.816 6.856 ( 2.027 0.000 14.621) 14.761 6.937 ( 1.348 0.000 15.416) 15.475 7.015 ( -3.180 0.000 6.773) 7.482 7.052 ( -1.178 0.000 6.464) 6.571 7.094 ( 5.248 0.000 8.761) 10.212 7.142 ( 1.401 0.000 4.221) 4.447 7.292 ( 0.971 0.000 3.650) 3.777 7.327 ( 1.890 0.000 0.530) 1.963 7.356 ( -11.315 0.000 4.906) 12.333 7.398 ( 2.367 0.000 0.362) 2.395 7.573 ( -2.726 0.000 -5.934) 6.530 7.678 ( 11.444 0.000 11.771) 16.417 7.687 ( -9.521 0.000 -7.142) 11.901 7.776 ( -0.035 0.000 6.421) 6.421 7.798 ( 0.116 0.000 -10.745) 10.745 7.910 ( -3.207 0.000 -1.971) 3.765 7.945 ( -1.297 0.000 2.303) 2.643 7.986 ( -0.879 0.000 -7.182) 7.236 8.038 ( 1.282 0.000 3.585) 3.807 8.214 ( -2.961 0.000 -2.332) 3.769 8.354 ( 1.450 0.000 8.169) 8.297 8.501 ( 0.636 0.000 0.359) 0.731 8.540 ( 10.635 0.000 16.477) 19.611 8.565 ( 2.715 0.000 -18.393) 18.592 8.623 ( -0.893 0.000 -1.238) 1.527 8.685 ( -6.636 0.000 -13.726) 15.246 8.902 ( 8.369 0.000 5.040) 9.769 8.925 ( 2.441 0.000 -10.720) 10.994 9.042 ( 0.585 0.000 3.495) 3.543 9.166 ( -1.556 0.000 -4.736) 4.985 9.234 ( 0.606 0.000 5.022) 5.058 9.275 ( -0.871 0.000 -9.914) 9.953 9.346 ( 3.487 0.000 -9.006) 9.657 9.412 ( -9.994 0.000 5.515) 11.415 9.494 ( 1.263 0.000 -7.750) 7.852 9.495 ( -5.128 0.000 -6.507) 8.285 9.548 ( -3.723 0.000 -4.740) 6.028 9.691 ( 2.798 0.000 -4.191) 5.040 9.793 ( -2.928 0.000 -4.667) 5.509 9.835 ( 3.767 0.000 -11.634) 12.229 10.139 ( 10.293 0.000 -3.439) 10.852 10.226 ( 5.040 0.000 1.415) 5.234 10.426 ( 0.887 0.000 6.510) 6.570 10.449 ( -3.744 0.000 2.710) 4.622 10.552 ( 1.459 0.000 4.806) 5.022 10.553 ( -2.564 0.000 -4.477) 5.159 10.634 ( 3.010 0.000 12.067) 12.437 10.727 ( 0.508 0.000 2.919) 2.962 10.893 ( 8.694 0.000 10.647) 13.746 10.970 ( -2.385 0.000 -3.030) 3.856 11.052 ( -5.957 0.000 -3.449) 6.884 11.072 ( 9.618 0.000 -0.570) 9.635 11.121 ( -1.243 0.000 -6.107) 6.232 11.168 ( -10.861 0.000 5.165) 12.026 11.221 ( 10.004 0.000 -6.376) 11.863 11.252 ( 2.287 0.000 -3.092) 3.846 11.443 ( -2.427 0.000 -9.915) 10.208 11.472 ( -6.352 0.000 -2.556) 6.847 11.513 ( -1.492 0.000 -7.752) 7.894 11.592 ( -0.724 0.000 -1.727) 1.873 11.662 ( -2.356 0.000 6.377) 6.798 11.771 ( 2.862 0.000 4.341) 5.199 11.804 ( -3.842 0.000 -0.792) 3.923 11.922 ( -12.057 0.000 4.352) 12.818 11.963 ( -0.992 0.000 -6.450) 6.525 12.059 ( 1.294 0.000 -5.039) 5.203 12.062 ( 0.668 0.000 4.945) 4.989 12.134 ( 5.214 0.000 -8.196) 9.714 12.208 ( -2.281 0.000 -5.566) 6.015 12.323 ( -9.482 0.000 -6.413) 11.447 12.467 ( -3.290 0.000 -3.460) 4.774 12.496 ( 2.608 0.000 -5.095) 5.724 12.693 ( 3.741 0.000 8.852) 9.610 12.877 ( -1.321 0.000 -1.294) 1.849 12.880 ( 0.614 0.000 -0.890) 1.081 12.962 ( -3.544 0.000 -3.243) 4.804 13.163 ( 1.248 0.000 4.778) 4.938 13.331 ( 2.309 0.000 4.206) 4.798 13.381 ( 3.211 0.000 2.638) 4.156 13.454 ( 1.958 0.000 -8.322) 8.549 13.680 ( 4.632 0.000 4.396) 6.386 13.695 ( -8.429 0.000 4.974) 9.788 13.726 ( -2.554 0.000 5.905) 6.434 13.782 ( -0.928 0.000 1.031) 1.387 13.946 ( -5.545 0.000 -2.052) 5.912 13.960 ( 4.253 0.000 -2.728) 5.053 14.156 ( -0.682 0.000 2.455) 2.548 14.230 ( 3.613 0.000 0.802) 3.701 14.290 ( -2.812 0.000 5.491) 6.169 14.458 ( 0.113 0.000 -3.548) 3.550 14.656 ( 3.273 0.000 3.270) 4.626 14.665 ( 2.981 0.000 0.139) 2.985 14.680 ( -4.166 0.000 2.777) 5.007 14.847 ( -7.365 0.000 -5.020) 8.913 14.863 ( 7.397 0.000 6.774) 10.030 14.964 ( 0.085 0.000 6.135) 6.136 15.109 ( -0.928 0.000 -2.644) 2.802 15.141 ( 2.169 0.000 0.126) 2.173 15.187 ( 6.443 0.000 -5.761) 8.643 15.215 ( -1.943 0.000 -6.775) 7.048 15.284 ( 3.584 0.000 1.345) 3.829 15.318 ( 4.218 0.000 2.865) 5.099 15.343 ( -4.250 0.000 -3.352) 5.412 15.495 ( -3.529 0.000 0.244) 3.538 15.574 ( -4.224 0.000 2.986) 5.173 15.627 ( 0.041 0.000 -1.143) 1.144 15.938 ( 3.039 0.000 5.022) 5.870 15.952 ( -3.825 0.000 4.365) 5.804 16.068 ( 1.267 0.000 -3.195) 3.437 16.184 ( 1.243 0.000 0.842) 1.501 16.268 ( -3.565 0.000 -1.346) 3.811 16.354 ( -4.316 0.000 -9.572) 10.500 16.424 ( -4.677 0.000 6.365) 7.899 16.528 ( 2.978 0.000 -1.576) 3.369 16.637 ( 6.832 0.000 4.384) 8.118 16.757 ( -1.934 0.000 4.234) 4.655 17.574 ( 0.674 0.000 1.650) 1.782 17.618 ( -1.894 0.000 -2.164) 2.876 17.672 ( 4.210 0.000 3.753) 5.640 17.899 ( -3.843 0.000 -7.976) 8.853 18.383 ( 0.332 0.000 6.374) 6.383 18.490 ( 2.150 0.000 5.380) 5.794 18.567 ( 0.998 0.000 -5.578) 5.667 18.630 ( -0.875 0.000 -0.547) 1.032 19.349 ( 4.503 0.000 7.870) 9.067 19.668 ( -1.158 0.000 -4.863) 4.999 19.784 ( 3.018 0.000 3.812) 4.862 19.843 ( -0.326 0.000 1.653) 1.685 20.167 ( 5.421 0.000 6.746) 8.654 20.515 ( -10.462 0.000 -3.559) 11.051 20.643 ( 10.330 0.000 7.034) 12.498 20.996 ( 7.668 0.000 -1.135) 7.752 21.018 ( -0.810 0.000 2.951) 3.061 21.165 ( -8.071 0.000 -5.438) 9.732 21.357 ( 7.165 0.000 1.031) 7.239 21.418 ( -0.338 0.000 9.966) 9.972 21.534 ( 3.618 0.000 3.679) 5.160 21.771 ( -1.906 0.000 -11.898) 12.050 22.102 ( -0.742 0.000 -2.592) 2.696 22.138 ( -5.889 0.000 3.448) 6.824 22.546 ( 4.788 0.000 -6.029) 7.699 22.551 ( -8.672 0.000 0.692) 8.699 23.048 ( -0.949 0.000 9.476) 9.524 23.253 ( 3.348 0.000 -4.318) 5.464 24.195 ( -1.247 0.000 1.922) 2.291 24.322 ( -4.172 0.000 -3.763) 5.618 24.608 ( 12.392 0.000 -1.793) 12.521 24.615 ( -3.906 0.000 6.586) 7.657 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -19.624 0.000 0.288) 19.626 1.650 ( -1.302 0.000 3.334) 3.580 2.006 ( -1.214 0.000 -1.661) 2.057 2.032 ( -1.039 0.000 0.097) 1.043 2.069 ( 2.689 0.000 -1.138) 2.920 2.080 ( 0.817 0.000 0.462) 0.939 2.339 ( -3.534 0.000 1.587) 3.874 2.402 ( 2.426 0.000 -2.979) 3.842 2.432 ( -4.234 0.000 3.428) 5.448 2.491 ( 1.971 0.000 -2.049) 2.843 2.633 ( -8.339 0.000 -8.904) 12.199 2.691 ( -3.216 0.000 3.609) 4.834 2.712 ( 5.514 0.000 4.451) 7.086 2.735 ( -3.150 0.000 1.015) 3.309 2.792 ( -7.335 0.000 -2.911) 7.892 2.979 ( 17.095 0.000 4.851) 17.770 3.145 ( -2.038 0.000 1.452) 2.502 3.240 ( 7.613 0.000 2.505) 8.014 3.257 ( -3.801 0.000 4.359) 5.783 3.306 ( 3.140 0.000 -3.369) 4.606 3.529 ( -11.701 0.000 14.892) 18.939 3.625 ( -6.208 0.000 2.744) 6.788 3.660 ( 1.813 0.000 -4.079) 4.464 3.741 ( -5.749 0.000 -1.941) 6.068 3.767 ( 4.474 0.000 -7.416) 8.661 3.837 ( 5.444 0.000 -1.480) 5.641 4.116 ( -2.140 0.000 10.509) 10.724 4.214 ( 0.164 0.000 -11.831) 11.832 4.312 ( -7.827 0.000 -1.298) 7.933 4.359 ( 0.370 0.000 -4.220) 4.236 4.443 ( -32.929 0.000 1.495) 32.963 4.543 ( 4.056 0.000 5.223) 6.613 4.582 ( -14.176 0.000 -0.988) 14.210 5.089 ( 11.075 0.000 2.603) 11.377 5.114 ( -8.594 0.000 5.794) 10.365 5.282 ( 26.888 0.000 -10.668) 28.927 5.333 ( -6.741 0.000 -4.913) 8.341 5.377 ( -5.149 0.000 0.776) 5.207 5.433 ( 4.107 0.000 1.297) 4.306 5.456 ( 2.551 0.000 -0.894) 2.703 5.618 ( -5.885 0.000 -0.031) 5.885 5.703 ( 4.559 0.000 0.099) 4.560 5.734 ( -1.219 0.000 7.343) 7.444 5.801 ( 0.607 0.000 -4.152) 4.196 5.989 ( -7.025 0.000 -8.856) 11.304 6.048 ( -1.363 0.000 0.353) 1.408 6.059 ( -1.015 0.000 3.902) 4.032 6.061 ( 7.215 0.000 6.615) 9.789 6.107 ( -4.086 0.000 6.211) 7.434 6.233 ( 3.875 0.000 -1.998) 4.360 6.253 ( -2.378 0.000 -4.328) 4.938 6.286 ( 7.925 0.000 2.463) 8.299 6.359 ( -7.145 0.000 11.156) 13.248 6.468 ( -14.851 0.000 0.912) 14.879 6.604 ( 12.711 0.000 -8.093) 15.069 6.714 ( 15.748 0.000 0.468) 15.755 7.042 ( -2.662 0.000 4.889) 5.567 7.078 ( 0.853 0.000 1.228) 1.495 7.151 ( -3.034 0.000 15.331) 15.628 7.172 ( -2.980 0.000 8.672) 9.169 7.178 ( 1.809 0.000 6.154) 6.414 7.220 ( 0.013 0.000 -7.113) 7.113 7.294 ( 0.888 0.000 -14.456) 14.483 7.326 ( 4.416 0.000 -2.080) 4.881 7.361 ( 0.917 0.000 -5.415) 5.493 7.412 ( -3.006 0.000 -5.937) 6.655 7.419 ( 3.341 0.000 -3.249) 4.660 7.454 ( 8.917 0.000 11.910) 14.878 7.794 ( 0.702 0.000 1.530) 1.683 7.795 ( 0.907 0.000 -2.851) 2.992 7.881 ( 2.666 0.000 3.164) 4.138 7.910 ( 2.767 0.000 -6.816) 7.356 8.051 ( -8.578 0.000 -12.680) 15.309 8.079 ( 7.339 0.000 20.654) 21.919 8.113 ( 1.216 0.000 16.504) 16.549 8.247 ( -2.301 0.000 -26.098) 26.200 8.310 ( 9.233 0.000 22.652) 24.462 8.364 ( -4.504 0.000 -30.410) 30.742 8.495 ( 3.583 0.000 2.605) 4.429 8.515 ( 1.923 0.000 -5.116) 5.466 8.648 ( -3.155 0.000 -8.891) 9.435 8.658 ( 6.064 0.000 9.096) 10.932 8.864 ( 4.237 0.000 11.985) 12.712 8.877 ( -5.581 0.000 -15.831) 16.786 9.031 ( -6.488 0.000 4.138) 7.695 9.132 ( 1.969 0.000 -4.367) 4.790 9.220 ( -9.219 0.000 2.623) 9.584 9.255 ( -2.849 0.000 5.459) 6.158 9.276 ( -4.751 0.000 -2.799) 5.514 9.360 ( 7.823 0.000 -2.110) 8.102 9.382 ( 0.725 0.000 -0.506) 0.884 9.431 ( 6.409 0.000 -2.749) 6.974 9.623 ( 0.366 0.000 9.134) 9.142 9.674 ( -5.266 0.000 -1.521) 5.482 9.690 ( -0.778 0.000 -7.484) 7.524 9.747 ( 5.557 0.000 -3.125) 6.375 10.183 ( -8.118 0.000 -5.506) 9.809 10.242 ( 2.183 0.000 -1.599) 2.707 10.475 ( 2.953 0.000 3.569) 4.632 10.476 ( 3.077 0.000 1.866) 3.598 10.516 ( -4.479 0.000 -2.212) 4.995 10.591 ( 5.924 0.000 -1.402) 6.088 10.798 ( -5.376 0.000 1.745) 5.652 10.833 ( -0.362 0.000 6.363) 6.374 10.897 ( -6.087 0.000 -8.556) 10.501 10.919 ( 0.238 0.000 7.728) 7.731 11.009 ( -13.693 0.000 5.086) 14.607 11.045 ( -0.124 0.000 2.733) 2.735 11.093 ( -2.051 0.000 -1.070) 2.313 11.153 ( 2.227 0.000 9.520) 9.777 11.174 ( -8.167 0.000 -12.104) 14.602 11.319 ( -10.322 0.000 9.504) 14.031 11.327 ( 15.460 0.000 -3.395) 15.829 11.381 ( -8.314 0.000 -7.561) 11.238 11.468 ( 9.202 0.000 6.223) 11.109 11.537 ( 8.169 0.000 -9.860) 12.805 11.749 ( -1.455 0.000 7.543) 7.682 11.777 ( 2.462 0.000 -0.726) 2.567 11.852 ( -2.248 0.000 6.876) 7.234 11.855 ( -2.997 0.000 -7.308) 7.898 11.902 ( 3.233 0.000 4.393) 5.454 12.041 ( 8.431 0.000 -8.829) 12.208 12.097 ( -3.729 0.000 -2.672) 4.587 12.145 ( -0.388 0.000 -2.994) 3.019 12.214 ( 3.328 0.000 1.541) 3.667 12.219 ( 7.093 0.000 5.278) 8.841 12.385 ( -2.020 0.000 0.485) 2.078 12.447 ( 2.999 0.000 -4.891) 5.737 12.849 ( -2.640 0.000 0.466) 2.681 12.852 ( 1.491 0.000 7.039) 7.196 12.864 ( -1.472 0.000 2.217) 2.661 12.875 ( -2.111 0.000 -6.485) 6.820 13.270 ( 3.554 0.000 7.317) 8.134 13.283 ( -0.934 0.000 -8.246) 8.299 13.413 ( -2.129 0.000 1.529) 2.621 13.449 ( -0.626 0.000 -7.318) 7.344 13.656 ( -2.824 0.000 8.716) 9.162 13.727 ( -3.709 0.000 1.180) 3.892 13.750 ( 2.905 0.000 -1.521) 3.279 13.806 ( 6.701 0.000 -0.543) 6.723 13.891 ( -3.490 0.000 3.838) 5.187 13.999 ( 6.422 0.000 -4.145) 7.643 14.201 ( -0.886 0.000 3.416) 3.528 14.236 ( 0.891 0.000 -4.550) 4.636 14.339 ( -0.978 0.000 7.027) 7.095 14.413 ( 2.628 0.000 -6.006) 6.555 14.647 ( -4.027 0.000 1.623) 4.342 14.702 ( -4.034 0.000 -2.480) 4.735 14.710 ( 3.796 0.000 0.940) 3.911 14.761 ( 6.212 0.000 2.993) 6.896 14.996 ( -5.103 0.000 -4.171) 6.590 15.047 ( 5.165 0.000 4.139) 6.619 15.069 ( -0.500 0.000 3.602) 3.636 15.106 ( -6.344 0.000 0.015) 6.344 15.127 ( 2.111 0.000 -6.350) 6.691 15.178 ( 1.339 0.000 -4.303) 4.507 15.268 ( -1.727 0.000 -0.189) 1.737 15.311 ( 4.182 0.000 -1.171) 4.343 15.416 ( -5.342 0.000 -3.034) 6.144 15.472 ( 5.062 0.000 3.917) 6.400 15.574 ( -1.976 0.000 4.681) 5.081 15.636 ( 3.237 0.000 -2.509) 4.096 15.976 ( -2.306 0.000 6.042) 6.467 16.027 ( 0.757 0.000 -1.527) 1.705 16.086 ( -7.285 0.000 -9.552) 12.013 16.120 ( 5.394 0.000 9.684) 11.085 16.227 ( -3.313 0.000 -3.348) 4.710 16.248 ( 2.765 0.000 3.047) 4.115 16.449 ( -2.520 0.000 5.984) 6.493 16.527 ( 3.509 0.000 -3.937) 5.273 16.707 ( -6.873 0.000 -1.859) 7.120 16.781 ( 4.575 0.000 1.979) 4.984 17.576 ( -1.644 0.000 0.321) 1.676 17.593 ( 0.788 0.000 0.703) 1.056 17.748 ( -5.322 0.000 -4.667) 7.079 17.772 ( 2.088 0.000 5.110) 5.520 18.458 ( -0.559 0.000 5.776) 5.804 18.506 ( 0.608 0.000 -5.916) 5.947 18.588 ( -0.214 0.000 -4.885) 4.889 18.592 ( 3.299 0.000 3.685) 4.947 19.513 ( -4.493 0.000 -9.181) 10.222 19.522 ( 4.529 0.000 8.562) 9.686 19.835 ( -2.878 0.000 -0.072) 2.879 19.840 ( -1.035 0.000 1.938) 2.197 20.295 ( -10.745 0.000 -5.862) 12.240 20.401 ( 9.913 0.000 8.412) 13.001 20.826 ( -13.311 0.000 -10.839) 17.166 20.877 ( 1.475 0.000 10.673) 10.775 21.041 ( 0.188 0.000 4.605) 4.609 21.109 ( 4.130 0.000 -5.986) 7.273 21.480 ( -6.505 0.000 -8.011) 10.319 21.502 ( 0.736 0.000 5.860) 5.906 21.554 ( 4.183 0.000 10.021) 10.858 21.624 ( 3.879 0.000 -11.420) 12.061 22.085 ( -3.929 0.000 0.848) 4.020 22.133 ( 3.395 0.000 2.574) 4.260 22.455 ( -6.401 0.000 2.752) 6.967 22.595 ( 9.943 0.000 -3.424) 10.516 23.140 ( -1.903 0.000 7.337) 7.580 23.216 ( 2.308 0.000 -7.585) 7.928 24.240 ( -0.203 0.000 -3.033) 3.040 24.251 ( 3.707 0.000 4.030) 5.475 24.578 ( -7.292 0.000 1.159) 7.383 24.744 ( 11.376 0.000 -6.338) 13.023 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -19.534 0.000 16.779) 25.750 1.639 ( -15.254 0.000 14.014) 20.714 1.968 ( -8.741 0.000 3.462) 9.402 1.986 ( 0.148 0.000 -0.201) 0.250 2.095 ( 0.266 0.000 -1.377) 1.403 2.119 ( 1.292 0.000 2.341) 2.674 2.296 ( -5.209 0.000 -2.781) 5.905 2.339 ( -1.620 0.000 4.534) 4.815 2.350 ( -3.058 0.000 -1.694) 3.496 2.497 ( 2.969 0.000 -1.993) 3.576 2.628 ( -2.323 0.000 3.988) 4.615 2.653 ( -4.018 0.000 0.697) 4.078 2.731 ( 6.483 0.000 7.197) 9.686 2.768 ( -2.325 0.000 3.091) 3.868 2.821 ( 0.037 0.000 3.827) 3.827 3.183 ( -2.253 0.000 0.204) 2.262 3.233 ( 7.792 0.000 -8.112) 11.248 3.304 ( -1.165 0.000 15.473) 15.517 3.329 ( 6.232 0.000 13.254) 14.646 3.501 ( -0.510 0.000 -3.832) 3.865 3.509 ( -18.598 0.000 19.232) 26.754 3.538 ( -1.812 0.000 -1.474) 2.336 3.569 ( 12.552 0.000 -2.687) 12.837 3.697 ( -7.516 0.000 0.574) 7.537 3.794 ( 5.470 0.000 2.030) 5.834 3.941 ( 4.087 0.000 3.344) 5.281 3.950 ( -18.663 0.000 11.164) 21.747 4.051 ( -2.725 0.000 -5.055) 5.742 4.141 ( -4.015 0.000 0.202) 4.020 4.262 ( -0.872 0.000 -8.989) 9.031 4.339 ( -13.191 0.000 9.304) 16.141 4.395 ( -7.199 0.000 -7.794) 10.610 4.652 ( 0.269 0.000 7.103) 7.108 4.867 ( -23.512 0.000 0.611) 23.520 5.028 ( -4.436 0.000 -7.954) 9.107 5.219 ( -5.415 0.000 -8.757) 10.296 5.320 ( -6.452 0.000 2.917) 7.081 5.379 ( -2.729 0.000 1.265) 3.008 5.399 ( 1.056 0.000 -2.624) 2.828 5.591 ( -1.995 0.000 -5.984) 6.308 5.619 ( 3.127 0.000 5.204) 6.071 5.701 ( -6.471 0.000 0.262) 6.476 5.730 ( -4.384 0.000 1.641) 4.681 5.833 ( 2.627 0.000 -5.092) 5.730 5.903 ( 14.550 0.000 -6.198) 15.815 6.063 ( 11.019 0.000 3.920) 11.696 6.075 ( -1.250 0.000 -0.213) 1.268 6.081 ( -5.854 0.000 -3.108) 6.627 6.089 ( -2.241 0.000 -1.883) 2.927 6.205 ( -6.749 0.000 -8.167) 10.594 6.283 ( -1.033 0.000 1.944) 2.201 6.329 ( 5.442 0.000 2.824) 6.131 6.400 ( 1.820 0.000 6.149) 6.412 6.498 ( 8.026 0.000 6.860) 10.558 6.705 ( 13.444 0.000 -15.231) 20.315 6.959 ( 11.192 0.000 2.964) 11.578 6.968 ( -0.553 0.000 -11.904) 11.917 7.009 ( 0.030 0.000 -10.640) 10.640 7.053 ( -1.159 0.000 -0.829) 1.425 7.079 ( 4.257 0.000 -2.950) 5.180 7.121 ( 1.219 0.000 -5.855) 5.980 7.181 ( -0.003 0.000 -10.625) 10.625 7.282 ( -1.524 0.000 -4.508) 4.758 7.333 ( 5.680 0.000 2.000) 6.022 7.346 ( -10.034 0.000 -5.544) 11.464 7.536 ( 7.277 0.000 5.788) 9.298 7.600 ( 7.400 0.000 7.052) 10.223 7.621 ( -4.983 0.000 9.211) 10.472 7.631 ( -3.130 0.000 -16.862) 17.150 7.823 ( 1.133 0.000 -2.814) 3.034 7.878 ( 12.480 0.000 4.324) 13.208 7.940 ( 3.908 0.000 3.416) 5.191 8.021 ( 2.211 0.000 -5.224) 5.673 8.038 ( 9.429 0.000 3.028) 9.903 8.068 ( 2.813 0.000 -11.390) 11.732 8.194 ( -3.730 0.000 4.920) 6.174 8.439 ( 2.494 0.000 -12.005) 12.261 8.464 ( 5.499 0.000 20.011) 20.753 8.495 ( -0.228 0.000 0.016) 0.228 8.524 ( -4.290 0.000 -14.841) 15.448 8.661 ( 2.777 0.000 -4.750) 5.502 8.686 ( 3.882 0.000 9.272) 10.052 8.795 ( -5.984 0.000 0.065) 5.984 8.871 ( -0.120 0.000 5.412) 5.413 9.030 ( -4.239 0.000 -5.612) 7.033 9.113 ( -4.542 0.000 4.722) 6.552 9.206 ( -4.794 0.000 -0.680) 4.842 9.214 ( 1.145 0.000 11.486) 11.543 9.272 ( 0.829 0.000 7.033) 7.082 9.448 ( 1.143 0.000 8.939) 9.011 9.519 ( 1.466 0.000 -1.188) 1.887 9.557 ( 7.069 0.000 5.524) 8.971 9.601 ( -5.754 0.000 3.991) 7.002 9.610 ( 6.344 0.000 0.716) 6.384 9.723 ( -2.881 0.000 7.342) 7.887 9.846 ( 6.680 0.000 1.791) 6.916 9.955 ( -12.699 0.000 -1.267) 12.762 10.199 ( -0.397 0.000 -4.638) 4.655 10.416 ( -2.670 0.000 -1.689) 3.159 10.512 ( 2.015 0.000 -5.707) 6.052 10.543 ( -4.233 0.000 -5.226) 6.725 10.582 ( 1.380 0.000 4.116) 4.341 10.639 ( -5.827 0.000 -8.252) 10.102 10.738 ( 0.703 0.000 -0.244) 0.744 10.744 ( -15.626 0.000 -6.382) 16.879 10.930 ( -4.417 0.000 1.514) 4.669 10.994 ( 0.802 0.000 0.048) 0.803 11.030 ( -3.741 0.000 8.276) 9.083 11.084 ( 1.867 0.000 6.515) 6.777 11.109 ( -2.547 0.000 1.883) 3.168 11.190 ( -5.044 0.000 -2.161) 5.488 11.245 ( -2.662 0.000 8.308) 8.724 11.451 ( 5.135 0.000 -3.067) 5.981 11.508 ( 5.384 0.000 16.573) 17.425 11.523 ( -0.890 0.000 -2.729) 2.870 11.603 ( 3.324 0.000 0.004) 3.324 11.692 ( -1.781 0.000 -7.607) 7.812 11.790 ( -2.607 0.000 4.536) 5.232 11.873 ( 10.712 0.000 -3.421) 11.245 11.969 ( -1.121 0.000 10.914) 10.971 12.023 ( 3.519 0.000 4.315) 5.568 12.040 ( 0.626 0.000 -3.877) 3.927 12.065 ( 5.842 0.000 2.171) 6.233 12.172 ( 10.655 0.000 -2.310) 10.902 12.266 ( 5.440 0.000 -2.968) 6.197 12.411 ( 2.122 0.000 7.074) 7.385 12.427 ( 3.019 0.000 6.380) 7.058 12.503 ( 3.389 0.000 1.529) 3.718 12.727 ( -0.054 0.000 -11.680) 11.680 12.839 ( -2.511 0.000 4.649) 5.283 12.846 ( -3.318 0.000 -0.473) 3.352 12.954 ( -0.176 0.000 9.972) 9.973 13.217 ( 3.559 0.000 -4.129) 5.452 13.274 ( -11.480 0.000 -0.666) 11.500 13.330 ( -1.906 0.000 -5.728) 6.037 13.466 ( 9.459 0.000 5.979) 11.190 13.649 ( -4.366 0.000 -2.174) 4.877 13.771 ( 3.094 0.000 -1.377) 3.387 13.795 ( 4.229 0.000 1.983) 4.671 13.849 ( 3.545 0.000 -6.736) 7.611 13.937 ( 4.506 0.000 1.288) 4.686 14.053 ( 6.985 0.000 -3.007) 7.605 14.179 ( -4.440 0.000 -1.132) 4.582 14.193 ( 2.402 0.000 -2.993) 3.838 14.382 ( 2.975 0.000 -6.794) 7.417 14.414 ( -1.071 0.000 6.459) 6.547 14.614 ( -2.996 0.000 0.998) 3.158 14.621 ( -4.826 0.000 -4.834) 6.830 14.757 ( 3.726 0.000 -3.243) 4.940 14.827 ( -2.620 0.000 -5.322) 5.932 14.928 ( 6.035 0.000 3.425) 6.940 15.008 ( 0.379 0.000 -6.531) 6.542 15.017 ( -7.937 0.000 3.400) 8.634 15.122 ( 1.671 0.000 -0.279) 1.694 15.149 ( 1.684 0.000 6.013) 6.244 15.215 ( 2.712 0.000 3.251) 4.234 15.246 ( -7.588 0.000 -5.389) 9.307 15.262 ( -1.482 0.000 -1.412) 2.047 15.372 ( 2.494 0.000 3.006) 3.906 15.546 ( 3.235 0.000 -0.609) 3.292 15.635 ( 2.635 0.000 3.624) 4.480 15.647 ( 2.876 0.000 -2.864) 4.059 15.908 ( -4.662 0.000 -3.907) 6.083 16.021 ( -1.530 0.000 5.036) 5.263 16.024 ( 2.948 0.000 -2.048) 3.589 16.171 ( -0.795 0.000 0.650) 1.027 16.304 ( 1.440 0.000 1.085) 1.803 16.325 ( 0.025 0.000 9.822) 9.822 16.472 ( -2.040 0.000 1.031) 2.286 16.536 ( 5.174 0.000 -5.366) 7.454 16.555 ( -6.370 0.000 -1.222) 6.486 16.800 ( 0.140 0.000 -4.157) 4.159 17.572 ( -0.431 0.000 -0.072) 0.437 17.623 ( 0.667 0.000 1.962) 2.072 17.624 ( -5.044 0.000 -3.324) 6.040 17.860 ( -1.834 0.000 8.042) 8.249 18.435 ( 1.319 0.000 -8.615) 8.715 18.505 ( -0.903 0.000 -5.961) 6.029 18.509 ( -1.764 0.000 5.123) 5.418 18.662 ( 2.451 0.000 0.042) 2.452 19.337 ( -3.966 0.000 -8.037) 8.962 19.634 ( -6.270 0.000 -2.867) 6.895 19.749 ( -0.969 0.000 2.123) 2.334 19.829 ( -2.106 0.000 0.977) 2.321 20.114 ( -5.332 0.000 -0.110) 5.333 20.499 ( -13.724 0.000 -6.089) 15.014 20.627 ( 8.570 0.000 5.572) 10.222 20.851 ( -8.846 0.000 0.284) 8.851 21.058 ( 0.605 0.000 -6.168) 6.198 21.183 ( -2.324 0.000 10.909) 11.153 21.298 ( -1.764 0.000 -7.588) 7.790 21.500 ( -3.083 0.000 -2.894) 4.229 21.553 ( 7.726 0.000 -11.424) 13.792 21.701 ( -2.916 0.000 9.210) 9.661 22.096 ( 0.746 0.000 5.842) 5.890 22.215 ( 3.073 0.000 1.240) 3.314 22.447 ( -2.650 0.000 6.678) 7.185 22.728 ( 12.982 0.000 -4.100) 13.614 23.152 ( 4.522 0.000 -10.357) 11.301 23.163 ( -4.838 0.000 4.374) 6.522 24.243 ( 3.638 0.000 -1.351) 3.880 24.387 ( 6.050 0.000 5.133) 7.934 24.444 ( -8.234 0.000 -3.552) 8.968 24.746 ( 4.905 0.000 -13.503) 14.366 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -11.699 0.000 28.749) 31.038 1.572 ( -20.725 0.000 18.584) 27.837 1.939 ( -5.199 0.000 9.388) 10.731 2.006 ( 1.017 0.000 1.837) 2.100 2.054 ( -5.116 0.000 2.402) 5.652 2.147 ( -7.260 0.000 2.958) 7.840 2.155 ( 0.716 0.000 0.760) 1.044 2.348 ( -4.990 0.000 1.758) 5.290 2.416 ( 3.420 0.000 1.722) 3.829 2.532 ( 2.659 0.000 -0.359) 2.683 2.585 ( -3.916 0.000 -1.612) 4.234 2.684 ( -2.553 0.000 -0.365) 2.579 2.711 ( 0.162 0.000 -0.697) 0.715 2.833 ( -2.986 0.000 2.567) 3.938 2.970 ( 5.072 0.000 15.139) 15.966 3.187 ( 0.127 0.000 -10.063) 10.064 3.209 ( 1.573 0.000 4.395) 4.667 3.334 ( -14.715 0.000 6.576) 16.117 3.349 ( -1.292 0.000 -2.778) 3.064 3.473 ( -13.235 0.000 10.324) 16.786 3.505 ( -0.423 0.000 4.576) 4.595 3.579 ( -2.228 0.000 4.891) 5.375 3.670 ( 4.070 0.000 9.544) 10.375 3.736 ( 6.670 0.000 -0.943) 6.736 3.879 ( -4.842 0.000 -0.917) 4.928 3.943 ( -4.955 0.000 3.020) 5.803 3.989 ( -8.222 0.000 -1.007) 8.284 4.074 ( 8.173 0.000 -4.091) 9.139 4.087 ( -10.989 0.000 2.851) 11.353 4.132 ( -3.359 0.000 12.350) 12.798 4.175 ( 7.843 0.000 -9.120) 12.029 4.335 ( -5.483 0.000 10.539) 11.881 4.607 ( -10.344 0.000 1.653) 10.475 4.646 ( -5.946 0.000 -2.410) 6.416 4.981 ( 5.039 0.000 3.929) 6.390 5.036 ( -5.188 0.000 -2.756) 5.874 5.220 ( -8.917 0.000 1.856) 9.108 5.391 ( -4.467 0.000 1.320) 4.658 5.400 ( 1.654 0.000 -1.680) 2.357 5.430 ( -2.733 0.000 -3.335) 4.312 5.586 ( -9.755 0.000 -3.139) 10.248 5.621 ( -4.519 0.000 0.044) 4.520 5.757 ( -5.461 0.000 -19.957) 20.690 5.766 ( 3.142 0.000 1.239) 3.377 5.851 ( -0.539 0.000 -3.586) 3.626 5.882 ( 3.322 0.000 2.137) 3.950 6.019 ( 1.657 0.000 -4.536) 4.829 6.032 ( -5.245 0.000 2.756) 5.924 6.078 ( -1.387 0.000 -1.948) 2.391 6.227 ( 3.190 0.000 -0.706) 3.267 6.407 ( 0.520 0.000 2.201) 2.262 6.461 ( 11.317 0.000 7.957) 13.834 6.497 ( 4.143 0.000 3.481) 5.411 6.588 ( 7.294 0.000 -18.142) 19.554 6.787 ( 10.093 0.000 4.847) 11.197 6.951 ( -0.531 0.000 -6.180) 6.203 6.970 ( 0.497 0.000 -9.004) 9.018 6.995 ( 10.004 0.000 -3.532) 10.610 7.038 ( 2.337 0.000 -6.138) 6.568 7.088 ( 2.123 0.000 -0.929) 2.317 7.105 ( 4.608 0.000 0.386) 4.624 7.209 ( 3.708 0.000 -2.667) 4.567 7.211 ( 4.490 0.000 1.772) 4.827 7.226 ( 2.021 0.000 10.924) 11.109 7.376 ( -6.477 0.000 -5.906) 8.766 7.528 ( 8.731 0.000 -1.983) 8.954 7.563 ( 0.927 0.000 -1.840) 2.060 7.639 ( 2.337 0.000 -1.475) 2.763 7.866 ( 6.092 0.000 4.146) 7.369 7.902 ( 7.815 0.000 -1.469) 7.952 7.970 ( -1.731 0.000 -4.486) 4.808 7.984 ( 3.321 0.000 -11.862) 12.318 8.041 ( 2.068 0.000 2.969) 3.619 8.042 ( -4.957 0.000 1.274) 5.118 8.151 ( 9.807 0.000 3.104) 10.286 8.233 ( 2.241 0.000 -8.839) 9.118 8.314 ( 8.430 0.000 7.441) 11.244 8.471 ( -4.095 0.000 -1.904) 4.516 8.509 ( 12.430 0.000 -4.698) 13.288 8.526 ( -7.281 0.000 -4.135) 8.373 8.655 ( 2.402 0.000 -1.960) 3.100 8.726 ( 0.156 0.000 3.651) 3.654 8.774 ( -4.322 0.000 -3.685) 5.679 8.918 ( -3.303 0.000 -2.401) 4.083 8.983 ( 2.551 0.000 9.300) 9.643 9.055 ( -9.691 0.000 3.221) 10.212 9.157 ( -1.706 0.000 1.099) 2.030 9.321 ( -2.823 0.000 5.656) 6.322 9.351 ( 1.982 0.000 1.495) 2.482 9.355 ( -9.621 0.000 -6.541) 11.634 9.497 ( -13.157 0.000 -9.515) 16.237 9.570 ( 2.085 0.000 8.502) 8.754 9.708 ( 4.698 0.000 -0.706) 4.751 9.782 ( 5.786 0.000 18.782) 19.653 9.843 ( 9.969 0.000 11.267) 15.045 9.957 ( 10.287 0.000 -5.696) 11.758 10.038 ( -5.169 0.000 26.279) 26.783 10.170 ( 1.364 0.000 1.069) 1.733 10.347 ( -8.822 0.000 -9.890) 13.253 10.387 ( -7.418 0.000 0.756) 7.457 10.421 ( -0.272 0.000 -7.433) 7.438 10.465 ( 0.860 0.000 -3.701) 3.800 10.539 ( 2.385 0.000 -3.825) 4.508 10.738 ( -2.802 0.000 1.536) 3.196 10.747 ( -0.340 0.000 8.427) 8.434 10.863 ( -3.411 0.000 4.050) 5.295 11.032 ( -3.667 0.000 3.119) 4.814 11.037 ( 5.413 0.000 -1.306) 5.568 11.134 ( -4.425 0.000 6.163) 7.588 11.180 ( 4.173 0.000 2.956) 5.114 11.223 ( -0.865 0.000 10.382) 10.418 11.328 ( -1.127 0.000 6.613) 6.708 11.410 ( -9.764 0.000 1.160) 9.832 11.428 ( -0.075 0.000 -2.343) 2.344 11.591 ( 2.498 0.000 -4.444) 5.098 11.672 ( 3.872 0.000 0.972) 3.992 11.759 ( 1.332 0.000 1.052) 1.697 11.810 ( 8.410 0.000 3.594) 9.146 11.952 ( 3.615 0.000 -4.936) 6.118 12.010 ( -5.483 0.000 6.876) 8.794 12.056 ( 7.328 0.000 -0.719) 7.363 12.092 ( -0.205 0.000 4.929) 4.933 12.284 ( 7.803 0.000 4.695) 9.107 12.297 ( 4.868 0.000 -1.364) 5.056 12.382 ( 6.257 0.000 8.388) 10.464 12.394 ( -1.561 0.000 0.691) 1.707 12.479 ( -4.011 0.000 -3.163) 5.108 12.585 ( 0.819 0.000 8.533) 8.572 12.650 ( 2.338 0.000 -4.775) 5.317 12.736 ( -5.203 0.000 -5.707) 7.722 12.931 ( 3.387 0.000 8.092) 8.772 13.053 ( -0.836 0.000 2.471) 2.608 13.179 ( -11.207 0.000 13.060) 17.209 13.258 ( 5.224 0.000 -7.074) 8.794 13.304 ( 7.311 0.000 2.706) 7.796 13.474 ( 2.002 0.000 -11.674) 11.845 13.708 ( 7.059 0.000 -10.101) 12.323 13.767 ( 1.864 0.000 1.425) 2.346 13.773 ( 4.088 0.000 -9.566) 10.403 13.797 ( 1.150 0.000 -8.498) 8.575 13.991 ( 0.888 0.000 -2.841) 2.977 14.063 ( -1.938 0.000 -1.301) 2.335 14.085 ( 3.665 0.000 -7.578) 8.417 14.220 ( 0.326 0.000 -0.987) 1.039 14.329 ( -0.911 0.000 -4.593) 4.682 14.393 ( -6.592 0.000 -11.916) 13.617 14.459 ( -0.672 0.000 2.269) 2.367 14.597 ( -0.929 0.000 0.209) 0.953 14.738 ( -0.811 0.000 -4.247) 4.324 14.853 ( 5.792 0.000 1.039) 5.884 14.870 ( -1.312 0.000 -4.931) 5.102 14.926 ( -5.866 0.000 -2.843) 6.518 15.063 ( -8.018 0.000 1.248) 8.114 15.073 ( 3.027 0.000 2.226) 3.757 15.164 ( 0.203 0.000 0.426) 0.472 15.231 ( -0.865 0.000 -0.453) 0.976 15.289 ( -0.140 0.000 3.936) 3.939 15.292 ( 4.691 0.000 6.925) 8.364 15.429 ( 1.792 0.000 0.609) 1.892 15.628 ( 5.430 0.000 2.031) 5.798 15.649 ( 0.735 0.000 -0.954) 1.204 15.737 ( 6.397 0.000 4.841) 8.022 15.840 ( -1.920 0.000 0.010) 1.920 16.054 ( -0.958 0.000 3.472) 3.602 16.075 ( 5.266 0.000 0.261) 5.272 16.184 ( -9.011 0.000 -5.199) 10.403 16.214 ( 1.321 0.000 3.976) 4.190 16.360 ( -0.070 0.000 -0.364) 0.371 16.457 ( -4.748 0.000 -0.127) 4.750 16.534 ( 4.587 0.000 -6.879) 8.268 16.556 ( 1.121 0.000 3.642) 3.811 16.711 ( -1.268 0.000 -6.938) 7.053 17.466 ( -7.613 0.000 -9.402) 12.098 17.525 ( -2.331 0.000 -3.521) 4.223 17.642 ( -0.564 0.000 0.292) 0.635 17.893 ( -7.940 0.000 7.620) 11.005 18.334 ( 0.997 0.000 -5.770) 5.856 18.461 ( 2.874 0.000 -2.737) 3.969 18.538 ( -3.040 0.000 5.305) 6.114 18.650 ( -1.441 0.000 -3.301) 3.602 19.216 ( -0.437 0.000 -5.486) 5.503 19.347 ( -14.122 0.000 -3.861) 14.640 19.830 ( 0.101 0.000 2.509) 2.511 19.875 ( 4.153 0.000 5.868) 7.189 20.124 ( 1.496 0.000 3.124) 3.463 20.345 ( -4.488 0.000 4.715) 6.509 20.685 ( -7.741 0.000 -2.948) 8.283 20.804 ( 5.027 0.000 2.299) 5.528 21.023 ( 1.954 0.000 -0.481) 2.013 21.119 ( -7.231 0.000 -0.600) 7.256 21.289 ( 1.203 0.000 0.233) 1.225 21.370 ( -3.228 0.000 -8.021) 8.646 21.620 ( 12.845 0.000 -3.422) 13.293 21.738 ( -5.757 0.000 8.370) 10.159 22.190 ( -2.290 0.000 8.565) 8.866 22.223 ( -0.404 0.000 -4.212) 4.232 22.520 ( 0.578 0.000 5.264) 5.295 22.832 ( 9.402 0.000 -6.986) 11.713 23.075 ( 1.940 0.000 -10.479) 10.657 23.122 ( -5.368 0.000 2.129) 5.774 24.261 ( 0.932 0.000 -5.015) 5.101 24.268 ( -8.033 0.000 -4.484) 9.200 24.535 ( 5.418 0.000 4.464) 7.020 24.609 ( 1.107 0.000 -8.276) 8.350 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -11.097 0.000 21.793) 24.456 1.594 ( -6.404 0.000 25.465) 26.258 2.008 ( -1.417 0.000 6.402) 6.557 2.056 ( 0.779 0.000 3.928) 4.005 2.081 ( 1.222 0.000 1.512) 1.944 2.145 ( -0.432 0.000 8.853) 8.863 2.170 ( 0.548 0.000 0.621) 0.828 2.210 ( -9.232 0.000 -3.990) 10.057 2.421 ( -7.061 0.000 -3.946) 8.089 2.467 ( -6.099 0.000 -4.057) 7.325 2.515 ( -1.209 0.000 -4.671) 4.825 2.571 ( 0.280 0.000 0.523) 0.593 2.746 ( 1.235 0.000 1.172) 1.702 2.806 ( -2.220 0.000 0.223) 2.231 3.079 ( -13.191 0.000 -1.126) 13.239 3.112 ( 0.805 0.000 -0.345) 0.876 3.248 ( 2.158 0.000 8.582) 8.849 3.307 ( 0.847 0.000 -7.089) 7.140 3.336 ( -0.274 0.000 6.051) 6.057 3.417 ( -5.414 0.000 -1.621) 5.652 3.486 ( -4.960 0.000 -2.005) 5.349 3.600 ( -8.476 0.000 -9.327) 12.603 3.646 ( -5.307 0.000 4.349) 6.861 3.687 ( -7.220 0.000 16.929) 18.405 3.723 ( -10.195 0.000 -8.734) 13.425 3.906 ( 2.120 0.000 4.046) 4.568 3.908 ( 2.269 0.000 8.796) 9.083 4.044 ( -5.472 0.000 4.250) 6.929 4.147 ( 6.872 0.000 -6.692) 9.592 4.205 ( 4.915 0.000 -2.957) 5.736 4.295 ( 1.599 0.000 4.431) 4.711 4.475 ( -6.745 0.000 10.270) 12.286 4.509 ( -4.484 0.000 -6.682) 8.047 4.670 ( 10.090 0.000 20.850) 23.163 5.050 ( -3.149 0.000 -1.302) 3.408 5.071 ( 4.820 0.000 5.376) 7.220 5.227 ( -4.998 0.000 2.098) 5.421 5.277 ( -5.579 0.000 -3.250) 6.456 5.335 ( -0.431 0.000 -6.328) 6.342 5.384 ( 1.762 0.000 -1.575) 2.364 5.457 ( -0.553 0.000 2.959) 3.011 5.551 ( 1.362 0.000 4.278) 4.490 5.721 ( -0.453 0.000 -7.076) 7.091 5.752 ( 8.934 0.000 4.684) 10.088 5.891 ( 1.835 0.000 0.145) 1.841 5.964 ( 1.209 0.000 6.068) 6.187 5.983 ( -6.241 0.000 1.843) 6.508 6.054 ( 5.693 0.000 0.130) 5.694 6.092 ( 5.247 0.000 1.575) 5.479 6.248 ( -0.506 0.000 2.189) 2.247 6.378 ( -4.744 0.000 -1.591) 5.003 6.509 ( 4.824 0.000 -9.588) 10.733 6.603 ( 3.074 0.000 0.826) 3.183 6.646 ( -0.098 0.000 2.207) 2.209 6.746 ( -3.928 0.000 -10.807) 11.499 6.900 ( 1.720 0.000 -7.349) 7.547 6.965 ( 9.115 0.000 3.701) 9.838 7.006 ( -1.050 0.000 0.594) 1.206 7.064 ( 9.261 0.000 -6.069) 11.072 7.142 ( 0.858 0.000 0.404) 0.948 7.215 ( -0.548 0.000 3.616) 3.657 7.287 ( 0.049 0.000 2.505) 2.505 7.298 ( 7.434 0.000 3.126) 8.065 7.357 ( 15.819 0.000 -2.175) 15.968 7.406 ( 4.007 0.000 3.359) 5.228 7.491 ( -4.735 0.000 -3.956) 6.171 7.553 ( -0.045 0.000 -6.524) 6.524 7.633 ( 2.923 0.000 -3.018) 4.201 7.656 ( -5.656 0.000 -16.297) 17.251 7.834 ( -10.140 0.000 -12.303) 15.943 7.879 ( 4.955 0.000 -6.215) 7.948 7.952 ( 4.393 0.000 -4.168) 6.056 8.139 ( 2.615 0.000 3.827) 4.635 8.163 ( 8.361 0.000 0.082) 8.361 8.240 ( 3.056 0.000 7.081) 7.713 8.302 ( -12.396 0.000 -5.693) 13.641 8.385 ( -2.397 0.000 5.091) 5.627 8.386 ( 14.001 0.000 -0.393) 14.006 8.565 ( 7.264 0.000 3.771) 8.185 8.610 ( -8.927 0.000 -8.256) 12.159 8.629 ( -0.876 0.000 1.750) 1.957 8.706 ( -5.286 0.000 0.181) 5.289 8.731 ( 8.956 0.000 0.578) 8.975 8.894 ( 1.154 0.000 2.050) 2.352 8.937 ( -7.241 0.000 5.304) 8.975 9.032 ( -4.926 0.000 1.287) 5.091 9.116 ( -6.798 0.000 2.492) 7.240 9.175 ( -3.938 0.000 -5.478) 6.746 9.236 ( 6.425 0.000 -4.872) 8.063 9.248 ( -1.245 0.000 -12.109) 12.173 9.530 ( -0.384 0.000 13.966) 13.972 9.713 ( 2.756 0.000 -6.868) 7.401 9.755 ( 3.954 0.000 9.007) 9.836 9.936 ( 2.806 0.000 -4.903) 5.650 9.979 ( -3.600 0.000 -1.968) 4.102 10.152 ( 15.062 0.000 -3.308) 15.421 10.207 ( -0.561 0.000 1.815) 1.900 10.235 ( -3.160 0.000 18.349) 18.619 10.290 ( -1.134 0.000 16.306) 16.346 10.393 ( 2.579 0.000 6.551) 7.040 10.397 ( -0.742 0.000 8.240) 8.273 10.460 ( 5.690 0.000 -4.448) 7.223 10.561 ( 5.061 0.000 -2.484) 5.638 10.712 ( -2.306 0.000 1.331) 2.662 10.715 ( -7.417 0.000 2.492) 7.824 10.994 ( 1.333 0.000 10.417) 10.502 11.002 ( -2.743 0.000 -1.079) 2.948 11.061 ( -3.414 0.000 1.812) 3.865 11.177 ( 1.343 0.000 -1.910) 2.335 11.257 ( -5.680 0.000 -2.939) 6.395 11.289 ( 5.508 0.000 11.501) 12.752 11.310 ( -3.851 0.000 4.937) 6.262 11.427 ( 2.418 0.000 8.680) 9.011 11.435 ( 3.312 0.000 -4.959) 5.963 11.602 ( 2.914 0.000 -0.717) 3.001 11.726 ( 0.379 0.000 -4.605) 4.621 11.798 ( 3.892 0.000 7.560) 8.503 11.913 ( 2.188 0.000 -4.393) 4.908 11.981 ( 7.011 0.000 -1.280) 7.127 12.027 ( -5.710 0.000 11.657) 12.980 12.131 ( -3.336 0.000 4.389) 5.512 12.143 ( 6.212 0.000 -2.233) 6.601 12.272 ( -5.574 0.000 -7.452) 9.306 12.280 ( -0.712 0.000 0.831) 1.094 12.430 ( 3.412 0.000 4.167) 5.386 12.447 ( -0.441 0.000 0.563) 0.715 12.536 ( -4.048 0.000 1.717) 4.397 12.633 ( -0.306 0.000 -0.878) 0.930 12.682 ( 0.289 0.000 8.783) 8.788 12.711 ( 5.316 0.000 8.948) 10.408 13.037 ( 1.550 0.000 1.272) 2.005 13.064 ( -1.617 0.000 4.563) 4.841 13.080 ( -14.230 0.000 0.883) 14.258 13.300 ( 8.981 0.000 -5.400) 10.480 13.364 ( -3.612 0.000 -9.623) 10.279 13.493 ( 13.880 0.000 0.180) 13.881 13.596 ( 5.353 0.000 -9.535) 10.934 13.611 ( -4.895 0.000 -11.273) 12.290 13.662 ( 1.660 0.000 -15.912) 15.998 13.874 ( 4.006 0.000 -2.169) 4.556 13.906 ( -2.690 0.000 -1.472) 3.066 13.968 ( 3.067 0.000 -13.919) 14.253 14.100 ( -1.269 0.000 -2.511) 2.814 14.135 ( -7.273 0.000 -2.637) 7.737 14.191 ( -7.466 0.000 -2.833) 7.985 14.302 ( 7.823 0.000 -2.303) 8.155 14.445 ( -2.454 0.000 -0.857) 2.599 14.566 ( -8.390 0.000 -7.989) 11.585 14.608 ( 1.197 0.000 3.132) 3.353 14.853 ( 3.177 0.000 -3.267) 4.557 14.854 ( -1.285 0.000 0.538) 1.394 14.945 ( 0.286 0.000 1.410) 1.438 15.020 ( -0.777 0.000 4.634) 4.699 15.030 ( -7.727 0.000 -1.366) 7.847 15.126 ( -1.336 0.000 -5.047) 5.221 15.265 ( 4.105 0.000 3.166) 5.184 15.279 ( -3.766 0.000 -0.741) 3.838 15.457 ( 4.671 0.000 6.990) 8.407 15.490 ( 0.419 0.000 4.916) 4.934 15.661 ( 0.892 0.000 -2.058) 2.243 15.666 ( 1.602 0.000 2.125) 2.662 15.830 ( -0.564 0.000 0.802) 0.980 15.861 ( 0.725 0.000 -0.838) 1.108 16.032 ( 2.203 0.000 -5.120) 5.574 16.076 ( -1.011 0.000 1.831) 2.092 16.170 ( -4.967 0.000 1.549) 5.202 16.278 ( 0.460 0.000 3.601) 3.630 16.319 ( -2.689 0.000 -1.775) 3.222 16.351 ( -3.680 0.000 -0.049) 3.680 16.484 ( 1.766 0.000 -8.491) 8.673 16.587 ( 0.380 0.000 -0.429) 0.573 16.635 ( 1.195 0.000 -4.353) 4.515 17.292 ( -0.264 0.000 -0.156) 0.307 17.483 ( 0.484 0.000 -0.011) 0.484 17.605 ( -1.987 0.000 -3.421) 3.956 17.806 ( -12.123 0.000 2.621) 12.403 18.348 ( 5.815 0.000 -2.706) 6.414 18.526 ( 9.445 0.000 -2.465) 9.762 18.535 ( -5.371 0.000 -0.218) 5.376 18.562 ( -5.482 0.000 2.338) 5.960 19.191 ( 4.276 0.000 -3.601) 5.590 19.202 ( -7.378 0.000 3.760) 8.281 19.901 ( 2.904 0.000 4.653) 5.485 19.963 ( -1.173 0.000 5.069) 5.203 20.223 ( 11.411 0.000 -3.084) 11.821 20.442 ( 1.979 0.000 10.202) 10.392 20.508 ( -9.546 0.000 -4.430) 10.524 20.848 ( 0.741 0.000 -3.172) 3.258 21.039 ( -3.362 0.000 1.110) 3.541 21.103 ( 3.923 0.000 0.944) 4.035 21.278 ( 3.619 0.000 -1.825) 4.053 21.348 ( 4.669 0.000 2.671) 5.379 21.734 ( -6.334 0.000 4.572) 7.812 21.800 ( 13.833 0.000 0.258) 13.836 22.084 ( -4.761 0.000 -11.213) 12.182 22.217 ( -8.673 0.000 6.483) 10.829 22.537 ( -2.951 0.000 0.929) 3.094 22.817 ( 2.011 0.000 -8.426) 8.663 22.985 ( 1.183 0.000 -3.773) 3.954 23.071 ( -4.453 0.000 0.896) 4.542 24.118 ( -6.051 0.000 -2.117) 6.411 24.157 ( -1.065 0.000 -6.555) 6.641 24.645 ( 7.304 0.000 -0.476) 7.320 24.648 ( 2.884 0.000 3.249) 4.344 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 4.703 2.839 15.752) 16.682 1.841 ( 0.247 6.616 10.886) 12.741 1.997 ( -1.858 -1.729 2.391) 3.487 2.024 ( 0.926 2.708 -4.578) 5.399 2.089 ( -0.854 -1.732 2.466) 3.132 2.114 ( 1.401 -1.798 1.224) 2.588 2.203 ( -2.245 -0.293 1.073) 2.505 2.246 ( -1.367 -2.505 -3.655) 4.637 2.313 ( -0.624 2.067 -1.123) 2.434 2.329 ( -0.933 3.583 -0.876) 3.805 2.559 ( -2.192 -0.537 1.869) 2.930 2.562 ( 1.711 -0.766 1.402) 2.340 2.756 ( -2.707 -3.094 1.336) 4.323 2.795 ( 1.117 -2.013 -0.194) 2.311 2.899 ( -1.644 -1.147 4.868) 5.264 2.973 ( -7.236 -8.300 -3.208) 11.469 3.166 ( -0.508 -0.311 0.056) 0.598 3.231 ( 2.115 -1.010 -6.953) 7.337 3.362 ( -6.204 -0.245 3.978) 7.374 3.415 ( -0.901 -0.032 1.238) 1.531 3.460 ( 0.789 4.344 1.719) 4.738 3.509 ( 0.810 -1.608 -2.049) 2.728 3.547 ( -3.749 6.032 0.400) 7.114 3.595 ( -0.072 8.993 -3.484) 9.644 3.828 ( -0.178 -6.155 7.255) 9.516 3.954 ( -3.994 -4.889 -7.019) 9.440 4.030 ( 4.550 -0.769 -5.914) 7.502 4.067 ( 3.554 -1.370 -9.921) 10.627 4.227 ( 3.183 0.419 14.696) 15.042 4.251 ( 2.128 2.048 14.837) 15.128 4.319 ( 1.004 -1.619 5.553) 5.871 4.345 ( -2.027 -1.018 -1.952) 2.993 4.545 ( -4.792 2.679 5.795) 7.983 4.800 ( -4.168 -8.681 -10.570) 14.299 4.994 ( -6.235 5.010 8.361) 11.571 5.076 ( -1.984 2.096 1.952) 3.484 5.185 ( -0.805 -4.903 -0.926) 5.054 5.253 ( 3.989 -5.089 -3.194) 7.212 5.359 ( 7.551 5.106 12.867) 15.769 5.491 ( 8.290 -1.597 8.053) 11.668 5.584 ( 1.345 1.318 -3.859) 4.294 5.625 ( -2.329 3.499 7.025) 8.186 5.663 ( 0.057 -1.919 1.825) 2.648 5.781 ( -3.019 -1.097 3.088) 4.456 5.891 ( 2.465 -1.876 -7.617) 8.223 5.964 ( 0.465 0.227 -8.090) 8.106 6.084 ( -1.467 -5.016 4.797) 7.094 6.112 ( 3.597 -3.149 1.000) 4.884 6.236 ( -3.185 5.976 -1.906) 7.035 6.266 ( 3.779 4.607 -1.087) 6.057 6.402 ( 2.926 5.798 9.543) 11.543 6.530 ( -2.232 3.736 -3.476) 5.570 6.556 ( -0.129 6.225 -4.771) 7.844 6.656 ( -4.474 5.252 -13.546) 15.202 6.701 ( -2.618 2.234 5.404) 6.407 6.814 ( 3.478 -1.446 -0.898) 3.872 6.992 ( -3.583 0.825 1.910) 4.144 7.047 ( -3.688 -1.438 -2.818) 4.859 7.122 ( 3.981 -0.124 -1.092) 4.130 7.151 ( -0.432 -4.755 -0.593) 4.811 7.203 ( -0.079 1.000 1.484) 1.792 7.259 ( -0.969 -1.125 -4.534) 4.771 7.310 ( 2.868 -1.314 0.097) 3.156 7.346 ( -0.671 2.185 0.674) 2.383 7.398 ( 2.834 -0.951 -3.189) 4.371 7.422 ( -4.097 -3.419 -7.071) 8.858 7.516 ( -3.473 -1.649 0.831) 3.933 7.552 ( 0.382 0.351 -1.314) 1.413 7.646 ( -0.161 1.574 -0.165) 1.591 7.711 ( 5.608 2.266 -6.598) 8.951 7.870 ( 4.806 -7.473 -1.825) 9.071 7.900 ( -7.007 -7.615 -4.895) 11.447 8.009 ( 0.930 1.195 2.895) 3.267 8.113 ( -3.616 0.229 -6.538) 7.475 8.241 ( 5.927 -5.847 2.400) 8.665 8.307 ( -4.507 1.061 -2.541) 5.281 8.338 ( -8.625 -5.520 0.401) 10.248 8.399 ( 2.691 -5.143 -2.821) 6.454 8.551 ( -1.887 1.775 2.128) 3.353 8.608 ( 2.932 1.869 -0.872) 3.585 8.656 ( 7.401 6.903 6.931) 12.267 8.727 ( -1.781 6.442 -1.229) 6.796 8.892 ( 2.736 -0.347 5.939) 6.548 8.919 ( -2.908 -2.171 2.349) 4.323 8.987 ( -0.809 1.231 -0.700) 1.631 9.027 ( 1.587 1.561 3.814) 4.416 9.093 ( 3.822 0.071 -9.637) 10.368 9.123 ( 3.950 0.059 -2.175) 4.510 9.189 ( -0.243 -0.443 -2.177) 2.235 9.216 ( 1.204 0.491 -3.241) 3.492 9.614 ( 6.762 0.301 2.753) 7.308 9.673 ( -7.843 0.017 -1.989) 8.091 9.818 ( 3.174 -4.075 -0.528) 5.192 9.878 ( -4.253 -1.899 -2.684) 5.376 10.031 ( -3.360 6.071 2.598) 7.409 10.066 ( -3.347 4.301 -0.885) 5.521 10.240 ( -1.718 -3.200 5.092) 6.255 10.310 ( 0.063 -3.879 -2.440) 4.583 10.343 ( 0.253 -6.310 8.261) 10.398 10.460 ( 8.382 -3.502 -1.846) 9.270 10.618 ( -3.670 6.134 7.534) 10.385 10.645 ( 8.912 2.040 0.201) 9.145 10.664 ( 5.433 1.618 5.886) 8.172 10.777 ( 5.064 2.206 -0.278) 5.531 10.791 ( 2.500 5.475 13.882) 15.131 10.860 ( -3.236 -5.158 -1.336) 6.234 10.933 ( -4.311 1.627 -4.782) 6.641 11.023 ( -8.281 -0.307 -1.961) 8.515 11.187 ( -0.407 1.350 1.086) 1.780 11.270 ( 3.293 -1.887 -2.246) 4.410 11.382 ( -4.326 4.431 2.978) 6.872 11.430 ( 2.256 7.149 0.069) 7.497 11.480 ( 4.487 -0.822 6.182) 7.683 11.544 ( 1.532 -2.922 1.755) 3.737 11.580 ( 0.556 -2.461 0.793) 2.644 11.653 ( 0.095 1.059 -4.666) 4.786 11.882 ( -0.190 -5.064 1.715) 5.350 11.945 ( -0.107 -3.964 -0.462) 3.993 11.962 ( -0.414 2.924 0.535) 3.001 12.031 ( -3.418 0.964 -2.263) 4.211 12.138 ( -2.902 0.438 4.977) 5.777 12.165 ( 1.509 -1.576 1.207) 2.493 12.287 ( 6.175 3.732 5.643) 9.160 12.348 ( -4.145 4.022 4.105) 7.086 12.422 ( 0.366 -0.575 -0.736) 1.003 12.460 ( -2.096 -1.736 -0.034) 2.721 12.555 ( 8.600 1.848 0.084) 8.796 12.598 ( -4.802 1.074 -2.146) 5.369 12.784 ( 2.269 -3.972 8.334) 9.507 12.840 ( -5.444 -3.666 1.948) 6.846 12.914 ( -3.232 -0.965 7.882) 8.573 13.063 ( 2.896 2.441 -3.304) 5.026 13.094 ( -6.758 -5.991 -0.837) 9.070 13.166 ( 4.987 0.127 1.716) 5.276 13.266 ( -0.629 0.921 -10.824) 10.881 13.350 ( -5.350 -3.834 -12.963) 14.538 13.516 ( 2.241 1.119 0.083) 2.506 13.599 ( -3.067 1.506 -8.226) 8.907 13.630 ( 5.348 -3.114 0.126) 6.190 13.725 ( -3.852 -4.299 -6.841) 8.951 13.870 ( 0.180 0.011 -1.055) 1.070 13.902 ( 2.310 0.730 -5.309) 5.835 14.047 ( 4.550 0.869 1.130) 4.768 14.076 ( -0.162 -0.127 -0.145) 0.252 14.182 ( 0.953 2.682 4.842) 5.616 14.280 ( -6.599 -1.903 -3.385) 7.657 14.457 ( 3.100 4.842 -0.880) 5.817 14.474 ( -1.432 4.183 -2.594) 5.126 14.695 ( 4.931 -3.936 1.879) 6.583 14.727 ( -5.110 -7.103 -0.888) 8.794 14.897 ( 4.838 1.085 1.332) 5.134 14.933 ( -5.857 2.383 -1.915) 6.607 14.983 ( -2.052 3.771 2.754) 5.101 15.039 ( 4.354 -0.854 -1.750) 4.769 15.101 ( 0.621 -0.320 -1.194) 1.383 15.135 ( -4.211 -4.629 -3.187) 7.022 15.371 ( 2.039 -3.506 2.001) 4.523 15.406 ( -2.776 -4.878 -0.929) 5.689 15.575 ( 0.941 -1.305 3.170) 3.555 15.600 ( 1.436 -2.937 0.318) 3.285 15.775 ( 3.483 5.737 5.173) 8.474 15.868 ( -3.523 5.105 -3.848) 7.299 15.963 ( 4.329 1.843 2.708) 5.429 16.028 ( -2.944 -0.653 -3.037) 4.280 16.059 ( -2.058 3.112 1.616) 4.065 16.076 ( -1.450 6.557 -1.107) 6.807 16.250 ( -1.831 -2.918 3.495) 4.907 16.303 ( -0.148 -3.606 -1.168) 3.793 16.367 ( -1.592 2.810 1.636) 3.620 16.420 ( 0.538 0.840 -4.800) 4.903 16.588 ( -0.658 0.331 0.267) 0.783 16.608 ( 0.702 -0.425 -1.972) 2.136 17.438 ( 6.451 2.981 3.410) 7.882 17.519 ( -4.698 2.172 -4.055) 6.575 17.549 ( 6.419 -1.371 2.921) 7.185 17.625 ( -7.530 -1.752 -3.457) 8.469 18.348 ( -1.815 -3.887 0.582) 4.330 18.360 ( -1.380 -4.487 -0.252) 4.701 18.598 ( -1.765 5.390 1.711) 5.924 18.670 ( 7.050 2.390 -5.203) 9.082 19.171 ( -3.402 0.998 3.230) 4.797 19.227 ( 3.910 -0.863 -2.685) 4.821 19.898 ( -2.315 -4.138 4.004) 6.206 19.968 ( 0.808 -6.004 -2.682) 6.625 20.308 ( 0.859 5.944 10.068) 11.723 20.505 ( 1.997 6.204 -7.574) 9.992 20.581 ( 1.403 -0.649 8.085) 8.231 20.747 ( -1.847 -2.450 -6.947) 7.595 21.055 ( 0.372 1.792 1.359) 2.280 21.099 ( -1.260 1.106 -3.647) 4.014 21.356 ( 5.799 -2.960 3.815) 7.546 21.454 ( -2.232 -3.562 -5.180) 6.671 21.748 ( 0.351 7.180 6.009) 9.369 21.896 ( -1.915 3.074 -8.492) 9.232 21.998 ( 8.428 -3.744 2.859) 9.655 22.027 ( -9.200 -2.605 0.187) 9.564 22.633 ( 1.812 6.518 4.520) 8.137 22.740 ( -2.843 3.901 -7.353) 8.796 22.935 ( -0.223 -6.747 1.565) 6.930 22.965 ( -0.060 -5.577 -1.964) 5.913 24.078 ( -2.460 2.804 -0.047) 3.731 24.119 ( 2.469 1.034 -4.244) 5.018 24.698 ( -0.048 0.852 0.748) 1.135 24.724 ( 3.642 -0.144 -1.957) 4.137 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.438 1.924 -10.578) 11.631 1.964 ( 6.061 3.755 -7.492) 10.342 1.989 ( 1.754 3.278 4.894) 6.146 2.066 ( 5.739 -2.286 1.080) 6.271 2.096 ( -0.964 -1.885 -0.179) 2.125 2.138 ( 2.027 -2.049 -3.572) 4.590 2.244 ( 2.181 -1.601 0.720) 2.800 2.265 ( 4.989 -1.226 4.468) 6.809 2.292 ( -0.445 1.576 0.527) 1.721 2.381 ( 4.998 3.723 3.119) 6.969 2.541 ( -1.030 2.481 -0.374) 2.712 2.595 ( 0.812 -0.140 -0.528) 0.979 2.722 ( -2.002 -1.154 3.028) 3.809 2.794 ( 1.665 2.156 2.312) 3.573 2.978 ( 5.231 -6.094 5.996) 10.023 3.070 ( 7.684 -5.811 2.491) 9.951 3.160 ( -1.124 1.019 1.402) 2.066 3.216 ( 2.960 -2.400 -0.733) 3.881 3.370 ( -1.717 -1.202 5.846) 6.210 3.424 ( 0.466 -0.314 1.759) 1.847 3.467 ( -0.170 0.854 0.146) 0.883 3.531 ( 2.894 -0.445 0.239) 2.937 3.576 ( 1.130 8.121 4.857) 9.530 3.644 ( 10.298 6.694 -0.010) 12.283 3.843 ( -2.448 -4.953 -1.282) 5.672 3.919 ( 0.148 -7.457 6.541) 9.920 4.013 ( 2.402 0.079 -4.449) 5.057 4.049 ( 3.926 -0.481 -3.050) 4.995 4.236 ( -3.654 3.842 -5.866) 7.907 4.306 ( -0.921 1.849 -3.483) 4.049 4.327 ( -1.511 -0.653 -3.691) 4.042 4.371 ( 2.055 -2.871 2.252) 4.188 4.603 ( -2.968 0.627 -3.387) 4.547 4.776 ( 5.392 -9.875 16.342) 19.841 5.010 ( -4.335 0.075 2.749) 5.134 5.122 ( -5.917 -4.747 0.877) 7.637 5.148 ( 6.558 7.442 7.099) 12.197 5.263 ( 0.956 0.387 -7.739) 7.808 5.355 ( -2.008 5.205 -14.017) 15.086 5.446 ( -5.655 -2.391 -9.046) 10.933 5.565 ( 1.723 0.374 1.988) 2.657 5.625 ( -2.447 -2.710 1.386) 3.906 5.723 ( -0.462 2.896 -9.120) 9.580 5.809 ( -2.760 -4.057 -3.025) 5.764 5.847 ( 1.701 1.323 1.834) 2.830 5.954 ( 4.117 -0.907 7.104) 8.260 6.082 ( -0.675 0.510 -4.034) 4.122 6.115 ( -0.891 -4.905 -5.694) 7.568 6.179 ( -6.830 7.723 2.033) 10.508 6.274 ( 1.541 5.539 2.032) 6.098 6.389 ( -5.285 6.402 -4.032) 9.229 6.476 ( -4.867 1.663 5.282) 7.372 6.517 ( -1.258 1.506 1.748) 2.628 6.638 ( 4.363 2.964 8.882) 10.330 6.734 ( -2.883 -1.587 0.458) 3.322 6.769 ( -2.709 -0.958 -6.342) 6.963 6.955 ( -8.292 1.912 3.210) 9.095 7.020 ( 0.272 -0.333 3.208) 3.237 7.074 ( -5.622 -0.799 -2.797) 6.330 7.154 ( 0.571 -1.361 1.550) 2.141 7.209 ( -3.182 -3.901 1.477) 5.246 7.216 ( -1.983 0.214 -0.863) 2.173 7.280 ( -4.450 -0.113 3.478) 5.649 7.327 ( -5.324 -1.109 1.212) 5.572 7.363 ( 1.734 2.338 -3.739) 4.738 7.411 ( -1.717 -1.331 0.547) 2.240 7.450 ( -5.252 0.450 0.183) 5.274 7.556 ( 2.268 -8.561 4.156) 9.783 7.632 ( -0.261 3.852 4.143) 5.663 7.667 ( -0.454 -3.810 -5.405) 6.628 7.780 ( 0.734 1.684 5.362) 5.668 7.921 ( -0.305 -1.097 0.884) 1.442 8.079 ( 0.664 -2.989 0.059) 3.062 8.142 ( -5.125 -5.491 -0.846) 7.559 8.198 ( 7.765 4.228 2.062) 9.079 8.277 ( -3.348 -0.472 6.291) 7.142 8.398 ( 7.081 -3.206 0.605) 7.797 8.479 ( 7.111 -6.437 -0.583) 9.609 8.552 ( -0.327 3.144 0.564) 3.211 8.620 ( -3.244 5.069 -6.493) 8.853 8.632 ( -0.495 -1.466 -1.859) 2.419 8.740 ( -2.068 0.787 -4.290) 4.827 8.853 ( -9.152 4.320 -3.437) 10.688 8.979 ( 2.939 0.102 4.536) 5.406 9.001 ( 0.232 -1.678 -7.857) 8.038 9.050 ( -1.122 -3.010 3.213) 4.543 9.058 ( 5.483 0.889 -1.658) 5.797 9.086 ( 4.910 -1.235 -1.190) 5.201 9.186 ( 4.387 2.903 -0.646) 5.300 9.240 ( 3.544 2.083 -2.427) 4.774 9.520 ( -5.872 -1.048 0.754) 6.012 9.706 ( -7.408 -7.520 -0.542) 10.570 9.776 ( 5.338 6.984 3.740) 9.553 9.940 ( -3.218 0.505 5.490) 6.383 9.966 ( -1.710 2.753 3.162) 4.528 10.010 ( -5.540 2.099 -1.175) 6.040 10.197 ( -7.782 -2.235 3.823) 8.954 10.341 ( 4.696 -1.187 -0.916) 4.929 10.433 ( 1.250 -6.339 -5.448) 8.451 10.492 ( 5.760 -1.424 -5.670) 8.207 10.555 ( -2.044 3.257 -5.219) 6.483 10.640 ( -4.623 -2.916 -9.496) 10.956 10.706 ( -6.035 7.095 -8.435) 12.566 10.759 ( 6.175 3.326 -0.228) 7.017 10.842 ( 1.249 0.297 -9.407) 9.494 10.923 ( 7.579 -2.320 2.721) 8.380 10.962 ( 4.246 2.323 6.594) 8.179 11.035 ( 1.551 2.338 15.198) 15.455 11.189 ( -4.101 -0.737 1.150) 4.323 11.209 ( -0.888 -3.027 -6.337) 7.079 11.363 ( -2.212 4.585 1.939) 5.447 11.421 ( -4.346 -2.109 -5.685) 7.460 11.497 ( -0.038 1.960 -4.961) 5.335 11.561 ( 1.898 0.716 1.377) 2.452 11.603 ( 2.134 0.967 -3.822) 4.483 11.661 ( 2.741 0.965 0.562) 2.959 11.815 ( -3.670 -1.702 0.853) 4.134 11.935 ( -1.898 -0.319 -2.152) 2.888 12.010 ( -1.626 -2.264 2.158) 3.526 12.043 ( 1.736 -2.884 2.566) 4.233 12.109 ( -2.028 0.671 2.704) 3.446 12.201 ( 1.274 -0.977 -3.364) 3.727 12.221 ( -5.000 5.867 -2.922) 8.243 12.374 ( -2.412 1.116 -1.760) 3.187 12.418 ( -2.005 0.721 2.822) 3.536 12.508 ( 3.227 4.455 -3.458) 6.498 12.537 ( 5.352 -4.117 0.209) 6.755 12.644 ( 1.013 -1.264 -0.603) 1.728 12.785 ( -3.498 -3.918 -4.690) 7.041 12.867 ( -0.100 -4.897 3.200) 5.850 12.933 ( -2.539 0.436 3.766) 4.563 13.059 ( -3.000 0.561 -2.945) 4.241 13.079 ( 1.217 -3.505 6.166) 7.196 13.136 ( -0.199 -4.096 -0.998) 4.220 13.246 ( 3.122 2.566 3.699) 5.478 13.341 ( 3.179 -2.069 8.182) 9.018 13.448 ( -4.326 2.939 -0.144) 5.233 13.548 ( -5.378 -3.139 -3.376) 7.084 13.617 ( 2.600 3.164 5.147) 6.577 13.675 ( -4.624 1.885 3.882) 6.325 13.906 ( 4.612 0.345 -0.405) 4.643 13.943 ( -0.934 2.709 -2.288) 3.667 13.975 ( 4.613 -5.898 -0.133) 7.489 14.070 ( -1.527 -2.289 -2.685) 3.844 14.257 ( 6.147 3.928 -0.065) 7.296 14.343 ( 0.845 -0.792 -0.648) 1.327 14.426 ( 3.263 3.285 5.000) 6.815 14.497 ( 2.062 5.166 -0.437) 5.579 14.632 ( -4.002 -5.985 -0.927) 7.260 14.786 ( 1.566 -6.278 1.187) 6.578 14.801 ( -6.554 3.727 0.195) 7.542 14.957 ( -0.260 -2.399 -0.826) 2.551 15.033 ( 4.585 0.913 0.907) 4.763 15.081 ( 6.307 4.429 -1.056) 7.778 15.091 ( 0.830 1.944 2.434) 3.224 15.182 ( 4.345 -6.222 2.734) 8.066 15.330 ( -3.917 -0.390 -1.926) 4.382 15.417 ( 0.130 -9.179 2.751) 9.583 15.557 ( -4.545 -1.738 -4.025) 6.315 15.606 ( 1.545 -3.134 -1.061) 3.651 15.754 ( -3.926 5.967 -3.683) 8.036 15.883 ( 1.149 6.146 3.649) 7.239 15.934 ( -0.644 2.143 -1.271) 2.573 16.004 ( -2.012 3.152 -0.525) 3.776 16.091 ( 0.569 1.729 -0.921) 2.040 16.133 ( 7.071 3.266 5.558) 9.569 16.250 ( -2.652 -3.690 1.617) 4.824 16.309 ( 1.480 -3.844 -0.266) 4.127 16.367 ( -1.976 1.862 1.775) 3.244 16.399 ( 0.576 1.326 0.684) 1.599 16.561 ( -3.105 -0.132 0.789) 3.206 16.595 ( -0.740 0.088 0.217) 0.776 17.375 ( -3.767 3.451 -3.694) 6.304 17.498 ( -2.604 -1.923 -2.935) 4.370 17.584 ( 6.433 4.299 2.690) 8.191 17.758 ( 11.998 -3.633 3.942) 13.142 18.296 ( -4.199 -1.505 1.536) 4.718 18.366 ( -2.408 -5.331 2.840) 6.503 18.596 ( -0.079 5.561 0.428) 5.578 18.690 ( 5.409 0.440 -6.735) 8.649 19.152 ( -1.944 2.827 1.540) 3.761 19.283 ( 6.697 -0.904 -2.373) 7.163 19.892 ( -3.832 -2.725 2.399) 5.279 19.946 ( -0.920 -6.715 -0.412) 6.790 20.244 ( -9.779 8.697 -2.271) 13.282 20.519 ( 0.856 -1.045 -3.223) 3.495 20.625 ( 2.771 1.159 -5.335) 6.122 20.715 ( 0.245 -2.357 6.769) 7.172 21.059 ( 0.246 1.175 -0.134) 1.208 21.112 ( 2.833 1.574 2.458) 4.067 21.300 ( -5.323 -0.554 -5.543) 7.705 21.447 ( -1.668 -1.774 0.415) 2.470 21.709 ( -6.568 0.415 2.163) 6.928 21.811 ( -6.481 -1.870 -2.828) 7.314 21.991 ( 9.368 7.722 2.597) 12.415 22.227 ( 11.488 -4.146 1.088) 12.262 22.601 ( -4.385 2.965 -1.860) 5.611 22.744 ( 1.508 5.123 4.883) 7.236 22.860 ( -4.521 -5.418 0.687) 7.090 23.046 ( 6.133 -5.216 -0.438) 8.063 24.085 ( 0.872 2.293 2.835) 3.749 24.141 ( 5.358 0.421 -1.459) 5.569 24.655 ( -4.841 1.364 -1.236) 5.179 24.707 ( -1.170 -0.821 -3.486) 3.768 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.247 2.397 -14.858) 18.207 1.936 ( 9.435 4.204 -13.115) 16.694 2.043 ( 2.032 -0.269 -1.211) 2.380 2.049 ( -0.873 -1.758 -3.748) 4.231 2.118 ( 2.613 -0.227 -3.749) 4.575 2.137 ( 6.227 -3.044 -2.426) 7.344 2.221 ( 0.222 2.646 -2.740) 3.815 2.342 ( 3.056 1.176 2.771) 4.289 2.430 ( 4.216 -6.212 5.546) 9.334 2.452 ( -2.412 1.155 0.561) 2.732 2.544 ( 0.916 1.627 0.705) 1.996 2.619 ( 3.906 0.049 2.826) 4.821 2.803 ( 4.255 7.945 1.730) 9.177 2.903 ( 6.541 3.266 1.891) 7.552 3.037 ( -4.439 0.960 -0.531) 4.573 3.135 ( -0.214 -1.594 1.615) 2.279 3.169 ( -1.805 -4.031 -0.275) 4.426 3.263 ( 0.584 0.042 3.687) 3.733 3.374 ( -0.452 -1.269 -0.359) 1.394 3.481 ( 4.980 -3.966 1.964) 6.663 3.512 ( 3.220 1.309 1.252) 3.694 3.638 ( 6.873 -5.917 2.337) 9.365 3.715 ( 3.991 -1.322 6.492) 7.734 3.790 ( -2.762 -0.709 2.133) 3.561 3.821 ( 4.367 0.945 -3.618) 5.749 3.904 ( 4.805 -0.895 0.609) 4.926 4.025 ( -2.202 0.182 -4.635) 5.134 4.074 ( 4.603 -0.153 0.549) 4.638 4.130 ( -1.098 5.056 -8.776) 10.188 4.216 ( 0.588 2.286 -2.671) 3.564 4.296 ( -1.471 -1.871 -10.945) 11.201 4.361 ( 7.111 -7.314 3.933) 10.932 4.670 ( 2.183 7.089 12.177) 14.258 4.916 ( 1.866 3.733 -20.223) 20.649 4.952 ( 3.224 -5.538 2.131) 6.753 5.040 ( -3.800 -1.859 -0.503) 4.260 5.113 ( -2.930 -2.000 9.940) 10.554 5.259 ( -0.413 -7.420 -9.510) 12.069 5.356 ( 7.610 0.451 -0.280) 7.628 5.391 ( 2.448 5.584 7.356) 9.554 5.500 ( 4.649 -6.081 -10.593) 13.069 5.584 ( -1.081 -2.116 1.321) 2.718 5.684 ( 2.657 5.103 -0.420) 5.769 5.745 ( -1.983 -0.426 0.259) 2.045 5.895 ( -3.115 0.283 2.041) 3.735 5.971 ( -3.827 -0.829 0.388) 3.935 6.002 ( -2.607 6.184 1.281) 6.833 6.065 ( 2.013 3.044 -2.678) 4.526 6.121 ( -3.838 9.016 1.167) 9.868 6.270 ( -2.576 2.021 -1.585) 3.638 6.376 ( -0.366 -0.079 3.450) 3.471 6.430 ( -8.787 -0.732 2.223) 9.093 6.543 ( -3.008 -1.549 2.247) 4.061 6.610 ( -5.413 -0.770 -2.666) 6.083 6.730 ( -3.257 1.633 -0.126) 3.646 6.782 ( -0.972 -3.076 3.779) 4.969 6.863 ( -6.185 1.331 4.494) 7.760 6.979 ( -2.048 -0.540 0.924) 2.311 7.005 ( -5.715 -1.281 2.192) 6.254 7.026 ( -9.817 -6.433 -0.629) 11.754 7.136 ( -6.368 -0.397 -3.562) 7.307 7.205 ( 2.004 5.636 0.443) 5.998 7.262 ( -6.551 -2.081 6.147) 9.221 7.301 ( -3.515 1.070 2.739) 4.583 7.342 ( 0.859 5.225 2.400) 5.814 7.455 ( 2.151 -5.098 1.831) 5.829 7.515 ( 3.991 -2.434 4.399) 6.419 7.591 ( -2.030 2.282 -3.074) 4.333 7.630 ( -1.943 -9.772 2.090) 10.180 7.695 ( -0.994 3.175 6.928) 7.685 7.952 ( 0.145 4.039 7.709) 8.704 7.984 ( 7.188 -0.311 6.883) 9.957 8.013 ( -5.215 -0.611 -2.670) 5.890 8.104 ( -4.204 -4.172 4.099) 7.203 8.177 ( -9.107 6.782 -6.280) 12.976 8.268 ( -3.646 -1.303 -4.563) 5.984 8.421 ( -5.952 -1.930 -6.325) 8.897 8.475 ( 3.438 4.979 1.550) 6.247 8.495 ( -0.243 0.249 -1.571) 1.608 8.521 ( -11.299 -0.515 -0.899) 11.347 8.588 ( 1.658 -6.395 -1.986) 6.898 8.659 ( 4.340 -1.446 3.955) 6.047 8.797 ( 0.985 5.009 0.799) 5.167 8.934 ( 2.525 -0.290 -5.014) 5.622 9.037 ( 2.571 -2.320 1.030) 3.613 9.097 ( 4.979 -3.265 7.334) 9.446 9.157 ( -1.089 3.094 2.833) 4.334 9.188 ( 3.176 2.877 -1.439) 4.521 9.292 ( 13.817 -1.213 -0.360) 13.874 9.351 ( 12.901 -1.380 0.714) 12.995 9.480 ( -3.949 -4.269 -2.161) 6.204 9.593 ( -6.569 -7.513 -1.710) 10.126 9.783 ( -2.950 7.735 -3.429) 8.961 9.884 ( -5.981 3.647 2.836) 7.558 9.990 ( -3.063 5.073 8.741) 10.560 10.068 ( 4.820 1.137 1.489) 5.172 10.147 ( -5.170 -1.199 1.540) 5.526 10.235 ( -5.591 -1.820 -7.582) 9.595 10.355 ( -3.549 0.043 -3.088) 4.704 10.409 ( 1.138 0.202 -8.769) 8.845 10.479 ( -3.892 0.058 -5.049) 6.376 10.538 ( 8.461 -1.027 -14.111) 16.485 10.561 ( 2.996 6.355 -4.725) 8.467 10.780 ( 2.569 -3.123 -7.455) 8.481 10.851 ( 8.534 0.265 -3.565) 9.252 11.014 ( 1.749 0.206 -6.032) 6.284 11.022 ( 1.691 -2.132 -2.083) 3.427 11.102 ( -0.158 -3.386 -2.995) 4.524 11.158 ( -3.182 -1.218 2.637) 4.309 11.196 ( -2.319 -1.311 3.191) 4.157 11.263 ( -0.355 0.319 -5.457) 5.478 11.411 ( -2.411 -2.912 -1.984) 4.269 11.415 ( 2.281 4.827 3.525) 6.398 11.547 ( 0.978 1.683 -3.849) 4.313 11.592 ( 4.804 3.985 -7.593) 9.829 11.663 ( -1.512 -1.958 0.761) 2.588 11.791 ( -5.702 -1.563 -1.469) 6.092 11.865 ( -2.302 3.811 -4.348) 6.224 11.917 ( -6.817 2.140 -1.319) 7.266 12.019 ( -4.527 -1.278 1.248) 4.866 12.107 ( -1.011 -2.431 -1.906) 3.250 12.146 ( 2.551 -4.365 -2.634) 5.701 12.248 ( 2.729 2.739 0.166) 3.870 12.369 ( -2.910 6.693 4.356) 8.499 12.401 ( -2.201 -1.041 -1.968) 3.131 12.449 ( -4.575 -2.789 -3.971) 6.669 12.598 ( 0.454 -1.941 2.384) 3.107 12.606 ( 1.661 -2.599 -6.936) 7.591 12.689 ( -3.246 -2.075 -7.796) 8.696 12.725 ( -0.232 -2.120 -5.411) 5.816 12.994 ( 0.306 1.248 4.900) 5.066 13.096 ( -1.999 2.469 9.875) 10.373 13.159 ( -2.734 1.399 3.070) 4.342 13.180 ( 1.342 -2.987 -1.824) 3.748 13.268 ( -3.123 -4.419 4.191) 6.844 13.370 ( 2.509 -3.964 -5.108) 6.935 13.516 ( 0.257 6.039 9.140) 10.957 13.588 ( -2.260 3.321 10.214) 10.976 13.632 ( 0.970 2.108 8.933) 9.230 13.784 ( -0.638 -2.975 10.452) 10.886 13.897 ( 0.974 2.181 -0.662) 2.479 13.941 ( 1.131 -0.427 -0.528) 1.320 14.053 ( 1.656 -2.134 3.060) 4.082 14.165 ( 9.975 -5.338 2.951) 11.692 14.252 ( -2.874 3.772 -0.023) 4.742 14.344 ( 4.165 2.795 -0.022) 5.016 14.472 ( -1.680 3.643 -2.258) 4.603 14.570 ( 2.541 -0.772 -0.323) 2.675 14.639 ( 2.954 -2.164 5.746) 6.813 14.765 ( -3.100 -3.271 2.004) 4.932 14.796 ( -0.147 -1.030 2.012) 2.265 14.922 ( -0.254 -1.473 -1.195) 1.913 15.096 ( -4.326 -0.476 -1.039) 4.474 15.125 ( 5.353 0.856 0.608) 5.455 15.190 ( 0.550 -1.194 -0.222) 1.333 15.200 ( 3.346 2.018 2.317) 4.543 15.322 ( 2.494 -3.069 -3.325) 5.167 15.388 ( -3.942 -5.146 -1.067) 6.569 15.452 ( -0.516 0.942 -2.828) 3.025 15.613 ( 0.155 -2.685 -0.431) 2.724 15.672 ( -2.795 5.059 -1.429) 5.954 15.822 ( -6.150 0.403 -1.715) 6.397 15.955 ( 0.626 7.291 -2.315) 7.675 16.049 ( 3.013 1.730 1.191) 3.673 16.052 ( -0.787 -1.319 -0.379) 1.582 16.168 ( -2.161 -2.643 -5.059) 6.103 16.253 ( -1.805 -1.103 0.161) 2.121 16.337 ( 3.097 -3.078 3.510) 5.602 16.371 ( -2.131 2.186 4.105) 5.116 16.447 ( 0.881 0.382 3.780) 3.900 16.568 ( 0.409 -0.347 3.626) 3.665 16.602 ( 0.010 -0.272 1.900) 1.919 17.371 ( 4.021 3.820 3.298) 6.452 17.471 ( 0.839 -1.430 0.883) 1.878 17.694 ( 4.813 6.280 0.555) 7.932 17.942 ( 9.095 -5.242 -1.214) 10.568 18.277 ( -2.013 0.681 3.084) 3.745 18.367 ( -2.594 -3.277 3.893) 5.712 18.607 ( 0.162 2.507 0.996) 2.702 18.664 ( 2.639 -0.462 -6.353) 6.895 19.169 ( 1.664 4.728 1.955) 5.380 19.367 ( 7.499 0.478 0.031) 7.514 19.842 ( -3.746 0.083 -0.453) 3.774 19.936 ( -2.454 -2.033 1.573) 3.554 20.121 ( -1.938 1.837 -1.685) 3.158 20.382 ( -3.375 -8.522 -7.397) 11.778 20.699 ( 4.268 3.814 2.793) 6.369 20.769 ( -1.321 -1.592 3.860) 4.380 21.088 ( 1.506 2.144 1.359) 2.951 21.188 ( -2.064 4.986 -2.315) 5.872 21.196 ( 2.921 -0.043 3.485) 4.548 21.369 ( -4.696 2.522 -0.771) 5.385 21.592 ( -9.651 1.043 0.207) 9.709 21.787 ( 4.066 -7.768 -2.974) 9.259 22.141 ( 4.447 6.459 3.077) 8.424 22.309 ( 1.575 -1.925 -3.352) 4.174 22.573 ( -1.092 2.213 2.793) 3.728 22.811 ( -1.386 5.390 5.392) 7.749 22.835 ( -1.464 -5.723 1.593) 6.118 23.114 ( 5.087 -4.883 -1.574) 7.225 24.168 ( 2.710 2.003 5.248) 6.237 24.239 ( 6.959 0.250 2.176) 7.296 24.550 ( -5.314 0.872 -1.930) 5.720 24.618 ( -3.643 -1.285 -4.277) 5.763 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 8.037 7.323 -16.719) 19.943 1.938 ( 6.810 2.767 -10.575) 12.879 2.002 ( 2.860 -0.346 -3.458) 4.501 2.057 ( 4.672 0.014 -3.683) 5.950 2.110 ( 1.211 0.644 -3.062) 3.355 2.184 ( 0.891 4.944 -0.513) 5.050 2.237 ( 6.536 -5.944 -3.342) 9.446 2.352 ( -0.279 2.373 -2.561) 3.502 2.427 ( -2.007 1.623 1.954) 3.238 2.478 ( 0.085 -1.782 -0.330) 1.814 2.599 ( 1.810 -1.543 2.012) 3.115 2.689 ( -0.331 -2.159 1.059) 2.427 2.802 ( -0.664 5.957 -2.541) 6.511 2.926 ( -6.443 -1.470 -8.838) 11.035 2.944 ( 1.979 4.363 -5.205) 7.075 3.056 ( -6.345 1.455 8.082) 10.377 3.169 ( -3.666 2.002 3.355) 5.358 3.306 ( -2.531 -2.970 6.010) 7.166 3.432 ( 2.144 -3.666 -1.474) 4.495 3.564 ( 1.746 0.475 -3.144) 3.627 3.574 ( 3.808 -4.260 -3.967) 6.956 3.609 ( -4.479 0.364 -4.147) 6.115 3.637 ( -2.190 1.347 -3.241) 4.137 3.814 ( -4.380 -1.657 -2.996) 5.559 3.836 ( -3.342 -0.952 -3.514) 4.941 3.900 ( -0.783 -8.006 0.906) 8.095 4.025 ( 9.621 -0.476 -4.288) 10.544 4.085 ( 7.310 1.535 1.554) 7.629 4.107 ( 1.449 1.544 -3.895) 4.433 4.209 ( 4.241 -0.998 -0.952) 4.459 4.332 ( 10.716 4.718 1.687) 11.829 4.578 ( 11.263 -8.646 5.593) 15.261 4.734 ( 15.631 4.452 -24.018) 29.000 4.916 ( 9.873 7.678 12.689) 17.817 4.959 ( 0.366 0.330 -4.426) 4.453 5.058 ( 7.186 -2.632 1.602) 7.819 5.226 ( 6.229 -7.062 0.822) 9.452 5.323 ( 0.112 -4.288 12.738) 13.441 5.354 ( -0.724 -2.703 -1.119) 3.014 5.452 ( -1.711 -2.960 6.052) 6.951 5.530 ( 0.734 -3.626 -1.741) 4.089 5.659 ( 1.770 -3.235 6.983) 7.897 5.727 ( -4.085 2.519 4.557) 6.618 5.787 ( 0.697 6.621 -0.240) 6.662 5.819 ( 0.645 2.304 1.288) 2.717 5.951 ( -1.527 -1.365 1.119) 2.334 6.041 ( -0.797 0.170 3.260) 3.361 6.082 ( 0.249 4.531 4.738) 6.560 6.131 ( 2.302 1.491 0.659) 2.821 6.200 ( -4.647 2.125 -1.452) 5.312 6.305 ( -7.757 3.702 3.856) 9.420 6.427 ( 0.460 4.099 5.973) 7.259 6.480 ( -5.133 0.486 -2.838) 5.886 6.551 ( -4.586 6.602 -1.756) 8.228 6.597 ( -9.624 -6.792 0.101) 11.780 6.757 ( -0.915 -2.974 -0.540) 3.158 6.778 ( -9.504 -0.761 7.657) 12.228 6.941 ( -4.306 1.278 1.929) 4.888 6.962 ( -5.158 -2.707 5.190) 7.802 7.018 ( -1.105 -1.025 5.567) 5.767 7.060 ( -1.910 1.320 -1.190) 2.609 7.194 ( -0.286 5.326 0.676) 5.377 7.237 ( -5.323 3.337 1.582) 6.479 7.329 ( 1.343 2.336 3.619) 4.512 7.377 ( -7.538 2.965 1.477) 8.234 7.435 ( -5.735 -2.611 0.408) 6.314 7.523 ( 4.925 0.695 0.221) 4.979 7.568 ( -1.176 -5.235 1.607) 5.601 7.623 ( -3.538 -9.144 5.232) 11.113 7.760 ( -0.715 -4.369 2.590) 5.129 7.875 ( -3.585 -2.985 -4.254) 6.313 7.968 ( -5.661 -1.160 -1.658) 6.012 8.040 ( -3.454 1.305 -1.963) 4.181 8.075 ( -2.969 3.076 -2.213) 4.814 8.129 ( 5.669 3.931 7.455) 10.157 8.251 ( 4.086 2.363 1.622) 4.991 8.288 ( -7.113 0.157 -1.258) 7.225 8.362 ( -1.313 1.439 -0.486) 2.008 8.527 ( 0.992 2.931 2.264) 3.834 8.581 ( 3.174 -3.597 -2.869) 5.590 8.660 ( 5.096 1.355 8.114) 9.676 8.723 ( -1.528 -1.172 -1.644) 2.532 8.803 ( 0.977 3.228 -0.935) 3.500 8.940 ( 3.762 -0.685 -4.411) 5.838 9.103 ( 2.910 2.772 -3.939) 5.628 9.138 ( 0.401 -1.410 -2.085) 2.549 9.156 ( 1.050 0.400 3.522) 3.696 9.289 ( 4.314 -5.687 2.287) 7.496 9.332 ( -0.645 -3.411 -2.669) 4.378 9.383 ( -4.646 -6.067 -1.060) 7.714 9.517 ( 7.410 1.410 0.939) 7.601 9.639 ( 7.534 -2.897 2.144) 8.352 9.736 ( 0.024 6.231 -3.573) 7.183 9.829 ( -1.004 1.048 -7.951) 8.083 9.897 ( -5.087 8.845 -2.789) 10.577 9.944 ( -3.348 8.735 -13.024) 16.035 10.122 ( -2.090 -3.535 1.230) 4.287 10.215 ( -1.993 -2.326 -12.642) 13.008 10.334 ( 0.344 -1.895 1.548) 2.471 10.361 ( 5.675 -1.683 7.868) 9.846 10.457 ( 2.758 -0.535 -5.207) 5.917 10.477 ( 2.640 -1.611 2.396) 3.912 10.629 ( 8.428 3.452 2.950) 9.573 10.694 ( -3.001 -0.737 -5.869) 6.633 10.882 ( -1.395 4.428 -9.783) 10.828 10.939 ( 8.320 -4.224 -2.623) 9.693 10.986 ( -1.464 0.743 -0.833) 1.841 11.057 ( -0.831 -6.809 -5.522) 8.806 11.111 ( -0.897 -8.357 -4.406) 9.490 11.201 ( 4.341 0.351 0.208) 4.360 11.265 ( 0.361 2.854 -2.415) 3.756 11.318 ( -6.376 1.015 1.977) 6.752 11.492 ( 4.948 0.211 -6.403) 8.095 11.544 ( 2.421 0.224 -4.741) 5.328 11.567 ( 2.507 -1.348 -5.017) 5.768 11.647 ( -2.289 1.843 -0.756) 3.034 11.683 ( -6.134 2.330 -0.071) 6.562 11.730 ( 0.040 -2.100 3.215) 3.840 11.870 ( -7.719 2.748 0.461) 8.207 11.974 ( -3.945 -0.071 2.668) 4.763 12.069 ( -1.590 -2.957 -4.109) 5.306 12.091 ( -4.462 -3.348 -3.114) 6.389 12.194 ( -7.258 3.338 -2.021) 8.240 12.244 ( -0.012 2.570 -11.138) 11.430 12.339 ( -1.311 -2.086 -6.308) 6.772 12.442 ( -2.608 -6.556 -3.645) 7.942 12.479 ( -1.662 3.918 -1.911) 4.665 12.540 ( -1.888 -0.033 -2.639) 3.245 12.634 ( -0.581 2.555 3.813) 4.626 12.816 ( 3.550 -2.242 3.503) 5.468 12.981 ( -0.219 4.287 -4.584) 6.280 13.086 ( -3.433 1.232 -3.399) 4.986 13.128 ( -2.161 1.251 2.082) 3.251 13.229 ( 0.522 -4.482 1.122) 4.650 13.285 ( -1.250 0.468 8.576) 8.679 13.409 ( 7.032 -3.868 2.655) 8.453 13.622 ( -2.446 2.868 8.583) 9.375 13.679 ( -0.674 3.525 7.099) 7.954 13.737 ( -4.573 1.459 5.053) 6.970 13.848 ( 0.844 5.807 1.646) 6.094 13.911 ( 1.460 -2.578 1.335) 3.250 14.044 ( 4.421 -1.636 7.099) 8.522 14.086 ( -2.414 1.739 0.715) 3.060 14.209 ( 0.111 -2.177 -0.479) 2.231 14.298 ( -0.517 4.234 -0.448) 4.289 14.424 ( -0.704 -3.372 0.053) 3.445 14.470 ( 8.726 -1.508 4.857) 10.100 14.601 ( 1.308 2.062 1.944) 3.121 14.704 ( -1.520 -2.580 1.704) 3.445 14.782 ( 1.183 -1.340 0.872) 1.989 14.793 ( -0.616 -4.112 4.702) 6.276 14.929 ( -6.281 -9.171 -3.337) 11.606 15.029 ( 3.902 3.621 5.868) 7.923 15.164 ( 0.074 -1.802 -2.472) 3.060 15.189 ( 0.172 0.936 0.099) 0.957 15.250 ( 3.979 0.811 -5.250) 6.638 15.259 ( -0.244 -2.310 -4.677) 5.222 15.386 ( 1.820 -0.207 -0.281) 1.854 15.409 ( -1.434 4.222 -0.959) 4.561 15.594 ( -1.966 0.763 0.121) 2.113 15.620 ( -4.333 4.262 -0.381) 6.090 15.697 ( -4.833 2.517 -3.080) 6.260 15.939 ( -0.730 1.897 -0.654) 2.135 15.953 ( -3.538 -4.543 -3.076) 6.528 16.039 ( 0.381 -0.144 -2.232) 2.269 16.203 ( -0.105 -0.896 -0.390) 0.982 16.279 ( 4.597 1.443 3.951) 6.231 16.382 ( -0.775 -1.718 0.823) 2.056 16.394 ( -0.058 0.647 4.162) 4.212 16.498 ( 0.882 -1.457 1.990) 2.619 16.588 ( -0.387 0.741 -1.972) 2.142 16.664 ( 0.413 -1.892 6.600) 6.878 17.509 ( 3.256 0.904 5.518) 6.470 17.543 ( 4.141 -0.527 4.578) 6.195 17.722 ( 0.922 6.262 -2.883) 6.955 17.970 ( 1.948 -5.417 -7.041) 9.095 18.317 ( -0.115 1.828 5.551) 5.845 18.399 ( -0.365 -1.646 4.851) 5.136 18.616 ( 2.034 0.283 -3.974) 4.474 18.628 ( -0.985 -0.178 0.512) 1.124 19.254 ( 4.293 5.557 4.419) 8.297 19.517 ( 8.093 -2.531 4.146) 9.439 19.817 ( -0.106 3.985 1.644) 4.312 19.888 ( -3.321 2.244 -1.690) 4.350 20.105 ( -0.208 -0.353 0.200) 0.456 20.345 ( 6.031 -10.021 -0.222) 11.698 20.739 ( -4.839 4.725 3.657) 7.689 20.842 ( 4.993 -0.631 3.938) 6.390 21.079 ( -1.347 7.346 -0.625) 7.494 21.220 ( 4.095 1.639 1.508) 4.661 21.275 ( 3.804 -2.515 1.024) 4.674 21.330 ( -6.236 -3.309 5.774) 9.119 21.492 ( -0.866 5.555 -0.657) 5.660 21.788 ( 2.440 -8.700 -4.937) 10.296 22.180 ( -0.814 3.055 -0.831) 3.268 22.233 ( -5.143 1.012 -3.458) 6.279 22.583 ( -3.198 3.161 2.549) 5.168 22.771 ( -1.903 7.091 -4.280) 8.498 22.899 ( -1.528 -4.393 9.284) 10.384 23.168 ( 5.706 -6.136 -2.670) 8.794 24.235 ( -2.422 2.638 2.725) 4.500 24.357 ( 1.544 -1.550 2.295) 3.171 24.497 ( 2.335 -0.757 -2.246) 3.327 24.548 ( -0.278 -0.875 2.194) 2.378 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 5.108 9.015 -7.281) 12.665 1.858 ( -2.439 5.413 -7.201) 9.333 2.032 ( 5.572 3.413 -3.399) 7.365 2.066 ( -0.749 0.478 -3.672) 3.778 2.074 ( 0.990 -0.383 -1.491) 1.830 2.131 ( -5.140 3.325 -1.929) 6.419 2.289 ( 6.359 -3.138 -0.635) 7.120 2.397 ( 0.677 4.068 1.507) 4.391 2.411 ( 2.070 -1.378 -0.141) 2.491 2.469 ( -0.106 0.116 0.205) 0.259 2.634 ( 5.767 -4.462 -0.953) 7.353 2.669 ( -2.370 -1.876 -3.604) 4.704 2.755 ( -6.142 1.575 0.213) 6.344 2.765 ( 2.179 0.250 -1.273) 2.536 2.871 ( -2.590 1.807 -7.696) 8.319 3.004 ( -12.130 -1.027 -1.089) 12.222 3.174 ( -1.361 1.821 2.820) 3.622 3.286 ( -5.874 -1.239 1.079) 6.100 3.336 ( -11.937 2.598 -4.880) 13.155 3.425 ( -2.403 1.288 -4.774) 5.497 3.438 ( -2.376 -1.812 4.207) 5.161 3.573 ( 0.040 -5.736 -2.027) 6.084 3.676 ( -3.800 0.337 0.146) 3.818 3.713 ( 2.147 -2.923 -0.932) 3.745 3.779 ( 4.846 -3.602 -8.948) 10.795 3.908 ( 0.471 -7.263 -4.400) 8.505 4.009 ( -3.502 5.603 3.209) 7.345 4.180 ( 3.589 -4.291 -0.167) 5.597 4.276 ( 14.890 3.774 4.555) 16.022 4.345 ( 7.626 3.083 2.570) 8.618 4.494 ( 7.070 6.027 0.747) 9.320 4.679 ( 1.338 -1.994 -6.664) 7.084 4.796 ( 24.227 2.142 -11.928) 27.089 5.017 ( -0.275 1.090 9.233) 9.301 5.160 ( -5.053 -3.317 2.704) 6.622 5.221 ( -1.565 0.872 -4.963) 5.277 5.285 ( 13.618 -1.693 1.232) 13.778 5.334 ( 8.429 -3.277 -0.367) 9.052 5.409 ( -5.875 -5.730 0.916) 8.257 5.453 ( -4.068 0.893 1.295) 4.362 5.570 ( -10.811 0.503 -3.604) 11.407 5.623 ( -4.424 -3.600 11.553) 12.884 5.631 ( -1.101 -1.446 6.058) 6.325 5.757 ( -2.152 -2.391 3.866) 5.029 5.901 ( 5.321 5.543 0.653) 7.711 5.979 ( 0.393 -0.883 3.985) 4.101 6.045 ( -5.176 -1.572 3.514) 6.451 6.081 ( -1.760 -3.622 -0.975) 4.144 6.152 ( 0.111 0.904 1.651) 1.885 6.187 ( 0.337 1.763 -2.828) 3.349 6.240 ( -3.939 3.347 -2.768) 5.863 6.332 ( -8.227 -3.690 -0.130) 9.017 6.425 ( -9.259 -0.156 5.606) 10.825 6.553 ( 6.911 0.377 -4.250) 8.122 6.630 ( 4.049 12.868 8.147) 15.759 6.748 ( -4.516 -1.039 -0.149) 4.637 6.867 ( 2.482 -5.217 10.944) 12.375 6.965 ( -3.210 5.278 8.804) 10.755 6.984 ( -3.070 -0.496 8.889) 9.417 7.007 ( 1.760 -1.341 4.578) 5.084 7.105 ( -0.021 -1.949 8.384) 8.608 7.193 ( -4.817 1.186 3.424) 6.027 7.296 ( 1.744 2.572 2.875) 4.233 7.304 ( 1.730 3.253 2.007) 4.195 7.395 ( -0.711 0.874 2.286) 2.549 7.418 ( -0.778 1.224 4.048) 4.300 7.528 ( -2.853 -4.937 -4.368) 7.183 7.649 ( -2.161 -3.389 5.489) 6.803 7.659 ( 6.174 -4.078 5.796) 9.399 7.726 ( 2.477 -3.816 2.964) 5.430 7.843 ( 1.278 2.088 -2.296) 3.357 7.882 ( -2.167 -0.383 -1.981) 2.961 7.954 ( -0.238 3.346 0.670) 3.421 8.040 ( -0.574 4.508 2.064) 4.991 8.099 ( -3.628 5.480 -6.444) 9.204 8.229 ( -1.507 0.281 -3.638) 3.948 8.351 ( 1.782 0.076 0.687) 1.912 8.458 ( 3.154 -6.634 5.219) 9.011 8.573 ( 3.857 3.324 8.243) 9.689 8.592 ( 1.748 0.474 -4.702) 5.038 8.605 ( 2.559 2.671 -9.609) 10.296 8.699 ( -4.900 1.909 -12.632) 13.683 8.827 ( 2.803 -6.150 1.006) 6.833 8.928 ( 1.156 -2.726 -8.271) 8.785 9.084 ( 1.605 4.176 -1.010) 4.586 9.163 ( 2.087 0.367 2.116) 2.995 9.207 ( -0.570 -0.688 -6.621) 6.681 9.272 ( 0.930 -2.935 -0.481) 3.116 9.280 ( 1.913 -0.326 -1.393) 2.388 9.404 ( 0.077 -5.472 -0.698) 5.517 9.523 ( -5.872 6.113 -2.172) 8.751 9.584 ( -2.155 4.550 -10.593) 11.729 9.607 ( -3.370 4.102 -3.787) 6.521 9.752 ( -1.103 0.839 -5.692) 5.858 9.767 ( 2.656 4.192 -8.967) 10.248 9.875 ( -1.314 4.024 -8.686) 9.663 10.098 ( 9.373 -4.632 -1.596) 10.577 10.181 ( 3.776 -6.046 3.014) 7.739 10.340 ( -1.861 -2.856 2.644) 4.314 10.452 ( -1.761 -1.741 -1.683) 2.994 10.509 ( 1.847 -2.175 6.396) 7.004 10.562 ( -1.845 1.041 4.236) 4.736 10.652 ( 0.646 0.332 4.295) 4.356 10.763 ( 1.219 -0.145 0.033) 1.228 10.861 ( 5.590 -3.284 7.224) 9.707 10.963 ( -5.800 -5.147 -1.915) 7.987 10.987 ( -1.240 -0.053 2.769) 3.035 11.016 ( 2.519 -3.432 -3.198) 5.325 11.071 ( 10.843 -2.111 -4.099) 11.783 11.164 ( -6.673 0.877 -2.686) 7.246 11.275 ( -2.625 2.126 -3.169) 4.632 11.304 ( 5.009 2.432 4.330) 7.054 11.403 ( -1.922 -3.080 -9.077) 9.776 11.461 ( -0.689 -0.786 -4.228) 4.356 11.561 ( 0.667 4.282 -1.137) 4.481 11.626 ( 2.424 3.627 -2.275) 4.920 11.682 ( -7.257 2.598 2.965) 8.259 11.748 ( -5.881 -4.204 -1.608) 7.406 11.780 ( 1.088 -0.354 2.347) 2.611 11.863 ( -3.907 -4.361 -2.419) 6.335 12.009 ( -2.714 0.646 1.774) 3.306 12.035 ( -0.678 -0.358 -4.678) 4.741 12.101 ( -1.933 3.074 0.780) 3.714 12.152 ( 3.847 2.511 -6.272) 7.774 12.193 ( -1.404 -1.441 -7.732) 7.989 12.303 ( -6.215 -2.701 -5.148) 8.510 12.452 ( -2.657 -0.979 -3.848) 4.778 12.476 ( 0.020 -1.776 -5.710) 5.980 12.733 ( 3.271 4.045 8.099) 9.626 12.853 ( 0.841 -1.748 -0.052) 1.940 12.927 ( -2.618 3.433 -2.729) 5.108 12.975 ( -3.035 1.024 -3.845) 5.004 13.184 ( 2.405 2.126 6.419) 7.177 13.285 ( 3.430 -3.271 4.430) 6.488 13.421 ( 3.778 2.847 4.830) 6.761 13.482 ( 1.551 1.330 -5.715) 6.069 13.677 ( -3.511 -0.223 5.809) 6.792 13.689 ( -4.031 -0.070 2.559) 4.775 13.731 ( 0.551 3.025 5.548) 6.343 13.853 ( -0.025 4.497 -3.927) 5.970 13.935 ( -4.008 -0.256 2.639) 4.805 14.007 ( -0.261 3.004 -4.392) 5.327 14.150 ( 1.654 0.738 5.078) 5.391 14.251 ( 0.464 -3.329 4.437) 5.566 14.286 ( 1.474 4.237 -0.894) 4.574 14.419 ( -0.152 -2.884 -1.596) 3.300 14.576 ( 2.753 -7.342 -1.379) 7.961 14.656 ( 1.060 1.139 4.183) 4.463 14.693 ( -6.299 -3.143 -0.806) 7.085 14.753 ( -1.126 -5.033 0.810) 5.221 14.881 ( 2.580 -1.254 5.687) 6.370 14.922 ( 2.953 -2.773 5.766) 7.047 15.082 ( -0.004 -0.301 -5.737) 5.744 15.166 ( 0.090 -1.603 -4.797) 5.058 15.172 ( 7.256 -0.488 -3.152) 7.926 15.214 ( 0.122 -1.087 -3.826) 3.979 15.253 ( -0.103 2.656 4.556) 5.275 15.394 ( -2.160 -0.989 0.257) 2.389 15.417 ( 2.907 8.699 1.692) 9.327 15.519 ( -4.818 5.373 -0.886) 7.271 15.587 ( -2.054 1.586 2.335) 3.490 15.639 ( -0.472 1.398 -1.252) 1.935 15.882 ( -3.190 -6.410 0.809) 7.205 15.931 ( -0.234 -8.099 -1.468) 8.234 16.058 ( 3.254 5.674 1.314) 6.671 16.209 ( 0.967 1.961 1.421) 2.608 16.290 ( -3.891 0.790 -2.522) 4.704 16.317 ( -2.822 -1.475 -3.073) 4.425 16.497 ( -3.921 4.944 2.568) 6.813 16.521 ( 3.968 -0.610 0.256) 4.023 16.598 ( 5.591 -2.981 3.250) 7.121 16.720 ( -2.502 -4.024 3.442) 5.856 17.586 ( 1.504 1.385 1.910) 2.798 17.649 ( 1.023 0.413 1.381) 1.768 17.675 ( 0.480 2.858 -0.962) 3.054 17.860 ( -3.408 -4.126 -7.007) 8.817 18.395 ( -0.279 1.467 6.614) 6.780 18.471 ( 1.056 -1.823 5.149) 5.564 18.582 ( 1.357 1.299 -4.381) 4.766 18.622 ( -0.437 -0.803 -1.070) 1.408 19.396 ( 5.155 5.138 6.456) 9.729 19.627 ( 1.560 -4.633 -1.299) 5.058 19.807 ( -1.576 1.711 -0.685) 2.425 19.848 ( -1.537 0.206 0.552) 1.646 20.202 ( 7.242 4.549 7.860) 11.615 20.444 ( 0.206 -6.090 1.296) 6.230 20.723 ( 0.081 6.623 4.650) 8.092 20.935 ( -1.247 -4.341 2.601) 5.212 21.098 ( 3.995 5.792 0.476) 7.052 21.175 ( -5.502 1.069 -3.565) 6.643 21.345 ( 5.882 -1.151 0.387) 6.006 21.390 ( 0.325 -2.595 7.812) 8.238 21.558 ( 3.974 2.429 3.227) 5.666 21.724 ( -0.457 -5.032 -8.027) 9.485 22.104 ( -4.372 0.205 -2.816) 5.204 22.124 ( -3.823 -0.941 -2.024) 4.427 22.558 ( -4.232 5.743 3.902) 8.131 22.690 ( 0.177 8.157 -5.540) 9.862 23.007 ( 0.476 -3.085 8.240) 8.812 23.199 ( 4.072 -6.012 -4.596) 8.593 24.209 ( -2.038 1.564 1.317) 2.886 24.300 ( -4.335 -2.328 -2.633) 5.581 24.593 ( 6.832 -1.037 0.972) 6.978 24.606 ( 1.428 -1.103 3.045) 3.539 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -14.350 14.811 -0.372) 20.626 1.736 ( -3.457 7.762 3.687) 9.262 2.001 ( -4.608 -0.537 0.363) 4.654 2.036 ( -1.240 0.274 -0.204) 1.286 2.068 ( -0.470 -0.221 -0.819) 0.970 2.107 ( 3.990 2.747 -0.072) 4.845 2.299 ( -8.025 -3.398 -1.178) 8.794 2.390 ( 5.344 -2.412 0.383) 5.875 2.453 ( -2.930 1.744 0.726) 3.487 2.486 ( 1.014 -0.163 -1.485) 1.806 2.621 ( -9.570 -4.309 -0.009) 10.495 2.640 ( -6.921 0.162 -3.993) 7.992 2.733 ( 2.895 0.290 1.660) 3.350 2.749 ( 7.318 3.060 2.426) 8.295 2.787 ( -4.902 -1.346 -1.430) 5.281 2.920 ( 15.069 -5.385 3.264) 16.332 3.178 ( -2.905 3.007 3.846) 5.681 3.241 ( -0.143 2.569 5.246) 5.843 3.312 ( 4.359 2.351 3.361) 5.985 3.342 ( 0.775 3.066 -5.594) 6.426 3.489 ( -6.572 -4.315 10.325) 12.977 3.547 ( -1.938 -6.247 -1.951) 6.825 3.618 ( -6.119 -2.774 3.805) 7.721 3.742 ( 4.524 -5.129 -4.753) 8.328 3.758 ( -2.008 1.722 -1.682) 3.134 3.811 ( 2.930 -0.796 -3.878) 4.926 4.083 ( -0.995 -1.007 7.822) 7.950 4.177 ( 3.718 -3.721 -8.334) 9.855 4.383 ( -7.593 5.037 -3.543) 9.776 4.407 ( -1.989 3.610 -2.239) 4.691 4.497 ( -22.777 4.533 0.264) 23.226 4.566 ( 0.771 1.599 2.182) 2.813 4.628 ( -24.045 6.533 0.532) 24.922 5.067 ( -2.745 -3.578 6.263) 7.717 5.154 ( -1.545 1.886 1.299) 2.763 5.273 ( 11.998 -0.683 -9.246) 15.163 5.305 ( -3.941 -3.493 -0.431) 5.284 5.340 ( 2.071 -0.762 -3.450) 4.095 5.360 ( 2.174 -4.845 1.707) 5.578 5.497 ( 8.348 0.412 -1.436) 8.480 5.587 ( -6.087 -2.266 -0.391) 6.506 5.643 ( 0.313 -4.707 1.731) 5.025 5.726 ( 1.709 -0.111 3.947) 4.302 5.765 ( 7.125 -1.870 0.251) 7.371 5.958 ( -7.550 -1.885 -1.712) 7.968 5.994 ( -4.204 -5.303 0.485) 6.785 6.064 ( 4.543 -0.113 5.954) 7.490 6.094 ( 0.249 0.575 4.095) 4.142 6.122 ( 5.122 -3.340 -4.074) 7.348 6.144 ( 3.417 1.845 -4.574) 6.000 6.246 ( -1.658 -0.715 -0.288) 1.829 6.256 ( 2.160 -0.821 6.323) 6.732 6.405 ( -7.024 5.378 9.678) 13.112 6.604 ( 8.194 -0.134 -8.434) 11.760 6.694 ( 3.878 12.863 0.055) 13.435 6.746 ( 6.394 3.009 0.326) 7.074 6.967 ( -7.042 -5.109 7.207) 11.298 7.043 ( 1.173 -5.228 9.714) 11.093 7.091 ( 3.225 -1.761 -0.656) 3.733 7.139 ( 1.754 -6.962 -4.143) 8.290 7.183 ( 1.575 0.465 4.732) 5.009 7.207 ( 1.682 1.168 4.464) 4.911 7.259 ( 1.712 2.707 -2.062) 3.809 7.323 ( -0.030 -1.181 -10.599) 10.665 7.400 ( 0.314 1.989 2.904) 3.533 7.424 ( -0.553 0.952 -4.318) 4.456 7.534 ( 1.383 7.941 -6.481) 10.343 7.544 ( 6.646 6.273 9.843) 13.431 7.781 ( -0.194 -1.914 2.182) 2.909 7.784 ( -1.022 -1.689 -1.829) 2.692 7.925 ( 2.397 5.044 3.542) 6.613 7.953 ( 2.905 4.380 -6.048) 8.013 8.075 ( -3.634 0.300 -0.149) 3.650 8.095 ( 2.955 0.182 13.030) 13.362 8.123 ( -0.599 2.596 0.808) 2.784 8.201 ( 5.593 -4.008 -7.358) 10.073 8.262 ( -2.465 -2.778 -1.267) 3.925 8.360 ( 4.418 2.381 -12.831) 13.777 8.477 ( -3.396 -3.625 -8.688) 10.008 8.521 ( 5.516 -0.951 0.595) 5.629 8.643 ( -2.149 -0.114 -4.647) 5.121 8.665 ( 4.963 0.055 5.375) 7.316 8.826 ( -1.569 -3.078 -1.999) 3.992 8.842 ( 1.502 -3.484 1.090) 3.947 9.056 ( -6.556 3.470 0.624) 7.444 9.144 ( 2.327 1.246 -4.155) 4.922 9.199 ( -6.934 0.496 1.209) 7.056 9.257 ( -0.400 -0.969 1.779) 2.065 9.276 ( -6.470 -0.182 0.576) 6.498 9.346 ( 2.464 -2.266 -0.757) 3.432 9.462 ( 1.813 5.303 -3.845) 6.797 9.496 ( 5.504 4.690 0.673) 7.263 9.616 ( -0.455 -0.291 5.612) 5.638 9.664 ( -1.412 -0.222 -3.750) 4.013 9.723 ( -3.584 4.445 -3.133) 6.513 9.809 ( 7.480 6.352 -2.517) 10.131 10.150 ( -7.322 -5.315 -4.799) 10.242 10.222 ( 3.343 -3.977 -1.475) 5.401 10.366 ( -0.872 -4.334 1.115) 4.559 10.404 ( 3.680 -1.574 0.950) 4.114 10.568 ( 0.011 0.426 1.972) 2.017 10.590 ( 1.972 -1.323 -1.921) 3.054 10.739 ( -3.293 -7.088 0.646) 7.842 10.759 ( 0.226 -10.692 2.786) 11.052 10.894 ( -4.752 1.313 8.744) 10.038 10.930 ( -7.069 -0.086 -2.584) 7.527 10.984 ( -10.338 0.177 4.758) 11.381 11.024 ( -3.634 -2.354 3.310) 5.449 11.067 ( 1.818 3.652 -2.366) 4.716 11.155 ( 1.695 -1.483 -7.420) 7.754 11.210 ( -1.107 2.394 5.629) 6.216 11.269 ( -0.851 -1.723 -0.286) 1.942 11.361 ( -2.044 2.890 -2.148) 4.140 11.428 ( -1.285 0.063 -0.281) 1.317 11.555 ( 1.653 7.105 3.968) 8.304 11.588 ( 0.170 4.572 -6.079) 7.609 11.693 ( 2.379 -3.802 5.019) 6.731 11.730 ( 5.565 -2.427 1.867) 6.352 11.817 ( -0.758 -2.979 -4.352) 5.328 11.851 ( 4.726 -2.740 -1.330) 5.623 11.948 ( -2.546 3.643 2.218) 4.967 11.999 ( 1.014 -1.589 -1.054) 2.159 12.123 ( -1.110 -1.298 -2.595) 3.106 12.142 ( 3.848 0.039 -1.225) 4.038 12.198 ( 0.915 -0.083 -1.047) 1.393 12.224 ( 6.090 0.369 2.675) 6.662 12.377 ( -0.981 -0.567 0.133) 1.141 12.420 ( 2.668 -2.424 -3.706) 5.170 12.831 ( -4.131 -0.200 1.828) 4.522 12.859 ( -2.224 -0.465 2.168) 3.140 12.884 ( 0.373 2.048 0.193) 2.091 12.902 ( 0.275 2.005 -0.641) 2.123 13.320 ( 1.786 4.267 1.165) 4.770 13.334 ( 1.422 4.315 -3.163) 5.536 13.417 ( -1.286 0.440 1.128) 1.766 13.442 ( 0.049 -0.776 -4.670) 4.735 13.662 ( -3.799 0.734 6.314) 7.405 13.698 ( -2.205 -1.361 3.062) 4.012 13.791 ( 0.863 2.658 -0.368) 2.819 13.837 ( 4.627 1.513 -3.588) 6.047 13.906 ( -2.522 2.750 5.992) 7.058 14.013 ( 6.185 0.942 -3.645) 7.241 14.224 ( -0.940 1.983 3.043) 3.751 14.260 ( 1.192 1.655 -4.848) 5.259 14.324 ( -1.125 0.501 3.595) 3.800 14.391 ( 4.106 -1.385 -3.600) 5.633 14.566 ( -4.734 -8.782 -0.351) 9.983 14.641 ( 5.219 -7.819 0.593) 9.419 14.708 ( -2.602 1.836 1.992) 3.756 14.762 ( 3.913 0.697 0.388) 3.993 14.961 ( -1.326 -4.726 2.857) 5.679 14.990 ( 0.700 -3.448 -0.577) 3.565 15.075 ( -2.470 -0.506 -7.096) 7.531 15.081 ( 0.870 -0.431 2.057) 2.274 15.126 ( -3.593 0.931 -0.173) 3.716 15.186 ( 1.293 -0.648 -4.743) 4.958 15.335 ( 0.798 5.121 1.084) 5.295 15.346 ( 1.114 3.786 -0.406) 3.967 15.464 ( -2.048 4.028 1.030) 4.634 15.518 ( 4.262 4.010 0.482) 5.871 15.591 ( -1.261 2.484 3.182) 4.229 15.633 ( 2.040 0.201 -2.066) 2.910 15.876 ( -1.465 -9.273 3.051) 9.872 15.908 ( 0.957 -10.051 -1.239) 10.173 16.128 ( -5.668 4.257 -2.459) 7.503 16.178 ( 3.452 4.297 3.623) 6.596 16.243 ( -2.791 0.668 -0.954) 3.024 16.270 ( 2.183 1.340 1.424) 2.930 16.477 ( -3.558 2.850 3.799) 5.935 16.554 ( 4.072 2.527 -2.240) 5.290 16.659 ( -6.711 -4.519 -1.832) 8.295 16.735 ( 5.014 -4.619 1.999) 7.104 17.597 ( -2.754 2.380 -0.250) 3.648 17.625 ( 1.470 3.100 1.138) 3.614 17.724 ( -4.653 -2.446 -2.636) 5.881 17.757 ( 1.992 -1.912 2.955) 4.045 18.462 ( -1.342 0.639 5.227) 5.434 18.503 ( -0.010 -0.500 -2.657) 2.704 18.585 ( 1.481 -0.181 -2.469) 2.885 18.592 ( 2.231 -0.099 -0.531) 2.295 19.528 ( -3.892 1.975 -5.486) 7.010 19.550 ( 3.312 2.090 3.924) 5.543 19.810 ( -2.943 -2.055 -0.161) 3.593 19.824 ( 0.162 -1.921 2.734) 3.345 20.328 ( -9.794 3.279 -4.634) 11.320 20.408 ( 4.787 0.137 5.512) 7.302 20.825 ( -7.707 0.456 -3.948) 8.671 20.877 ( 3.753 -0.959 8.641) 9.470 21.095 ( -1.994 6.272 -0.248) 6.586 21.153 ( 3.995 4.123 -3.235) 6.589 21.410 ( -3.063 -4.895 -2.220) 6.187 21.468 ( 5.601 -5.293 2.033) 7.970 21.593 ( -2.632 3.213 -0.313) 4.165 21.634 ( 1.563 0.913 -3.668) 4.090 22.062 ( -1.369 -1.833 1.847) 2.941 22.086 ( 1.910 -3.480 1.215) 4.152 22.564 ( -3.405 9.887 4.925) 11.558 22.667 ( 6.409 6.518 -4.631) 10.248 23.089 ( -2.166 -4.616 5.959) 7.842 23.169 ( 2.642 -5.281 -7.605) 9.628 24.232 ( -0.117 -0.601 -0.862) 1.057 24.244 ( 2.396 -0.772 2.917) 3.853 24.589 ( -4.036 1.381 -0.194) 4.270 24.706 ( 8.930 -3.786 -5.299) 11.052 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -16.538 17.194 12.166) 26.780 1.715 ( -13.416 7.224 12.141) 19.483 1.946 ( -5.188 -2.252 2.842) 6.330 2.004 ( -4.250 0.867 0.858) 4.422 2.072 ( 0.084 -1.598 1.278) 2.048 2.148 ( -8.519 -10.881 4.052) 14.401 2.174 ( 1.776 3.603 1.628) 4.334 2.340 ( -5.673 2.510 -2.145) 6.564 2.447 ( 2.271 3.527 0.414) 4.215 2.485 ( 1.439 -1.138 -1.676) 2.485 2.569 ( 0.445 -1.466 3.510) 3.830 2.696 ( 0.461 -1.639 0.442) 1.759 2.734 ( 2.743 2.407 7.544) 8.381 2.783 ( -1.949 1.751 2.722) 3.778 2.862 ( 0.628 4.508 3.650) 5.834 3.133 ( 3.379 -4.287 0.702) 5.503 3.242 ( 1.503 0.671 1.789) 2.431 3.320 ( -2.516 3.378 5.683) 7.074 3.374 ( 9.923 1.070 8.289) 12.973 3.421 ( -3.652 -4.424 -1.457) 5.919 3.482 ( -11.575 -2.597 11.479) 16.507 3.534 ( 9.263 -3.749 2.324) 10.260 3.594 ( -4.928 3.339 0.199) 5.956 3.706 ( 4.146 -3.256 7.160) 8.891 3.781 ( -4.969 3.348 -2.054) 6.334 3.876 ( 1.869 -0.909 2.601) 3.329 3.941 ( -14.387 -2.771 3.761) 15.126 4.093 ( -5.136 2.764 -4.196) 7.185 4.143 ( -1.638 -0.387 -0.630) 1.797 4.256 ( -6.176 -1.723 -6.195) 8.915 4.376 ( -14.750 4.367 10.500) 18.625 4.421 ( -6.612 1.881 -6.598) 9.528 4.577 ( -8.074 -5.800 5.879) 11.549 4.873 ( -21.122 -18.975 4.607) 28.765 4.978 ( -10.133 5.465 -3.717) 12.098 5.152 ( -6.290 3.123 -8.559) 11.072 5.266 ( -2.088 -1.724 -1.053) 2.905 5.336 ( -1.109 -5.171 -0.948) 5.373 5.436 ( 0.431 1.934 -1.055) 2.245 5.501 ( 1.405 -3.783 0.096) 4.037 5.663 ( -3.130 -1.343 -7.464) 8.205 5.705 ( 3.019 2.898 4.661) 6.263 5.762 ( -2.314 0.261 -2.747) 3.602 5.814 ( 8.399 0.605 -3.221) 9.016 5.882 ( 3.526 -0.463 -3.591) 5.054 5.969 ( -0.662 -5.500 2.740) 6.180 6.087 ( -1.266 -1.870 -1.372) 2.642 6.126 ( -0.482 -2.684 -1.498) 3.111 6.154 ( 6.970 4.400 -2.234) 8.540 6.204 ( 3.675 4.758 1.208) 6.132 6.294 ( 2.758 5.463 4.949) 7.871 6.425 ( 8.910 0.724 6.140) 10.845 6.438 ( -3.559 4.582 5.786) 8.194 6.647 ( 8.171 10.731 -6.047) 14.781 6.748 ( 12.204 4.419 -12.526) 18.038 6.797 ( 0.151 -4.985 -2.744) 5.692 6.930 ( 3.725 -3.422 -6.935) 8.584 7.024 ( 2.733 0.051 -7.385) 7.875 7.088 ( 2.446 -1.709 -6.158) 6.843 7.108 ( 3.812 1.945 -5.975) 7.350 7.158 ( 1.681 1.149 -8.508) 8.748 7.234 ( -4.976 7.122 -1.650) 8.843 7.287 ( 5.639 2.188 -0.437) 6.064 7.298 ( -0.347 -0.761 0.210) 0.862 7.404 ( -1.849 2.243 -1.798) 3.418 7.475 ( -3.175 -5.075 -0.774) 6.036 7.504 ( 1.615 -3.761 2.293) 4.691 7.645 ( -0.185 0.176 -6.447) 6.452 7.719 ( 1.509 -4.725 -3.744) 6.214 7.751 ( 3.783 -0.044 -1.744) 4.166 7.855 ( 3.971 -3.261 -8.258) 9.726 7.876 ( 2.530 -3.557 4.423) 6.214 8.034 ( 5.764 1.680 -2.828) 6.636 8.067 ( -0.647 3.428 -1.436) 3.773 8.127 ( 6.254 7.519 3.012) 10.233 8.236 ( 0.339 2.936 5.777) 6.489 8.385 ( 6.545 -3.986 -4.813) 9.049 8.462 ( 1.800 -3.198 1.987) 4.173 8.538 ( -0.393 3.731 2.614) 4.572 8.569 ( 0.394 1.242 -1.194) 1.768 8.593 ( -1.144 -0.178 -7.272) 7.363 8.708 ( 7.025 -0.036 10.107) 12.309 8.805 ( -2.478 -2.937 -3.182) 4.989 8.853 ( -3.241 1.298 3.336) 4.829 9.033 ( -3.097 -0.189 3.562) 4.724 9.110 ( -4.825 -0.349 3.012) 5.698 9.180 ( -0.305 -2.371 1.665) 2.913 9.224 ( -1.012 2.122 5.488) 5.971 9.246 ( -1.067 -1.936 2.266) 3.165 9.389 ( -0.155 -5.597 3.608) 6.661 9.564 ( -1.727 3.148 -2.634) 4.453 9.568 ( 3.042 2.057 6.580) 7.535 9.641 ( -2.212 0.779 8.727) 9.036 9.669 ( 1.202 3.113 4.137) 5.315 9.713 ( 2.136 4.452 3.986) 6.346 9.925 ( 5.413 5.234 4.129) 8.587 9.942 ( -9.163 0.231 -3.009) 9.647 10.179 ( 1.044 -2.076 -5.181) 5.679 10.382 ( 1.974 -3.011 0.371) 3.619 10.473 ( 1.054 -4.008 -2.124) 4.656 10.493 ( -4.958 -2.383 -3.606) 6.577 10.615 ( 1.358 1.486 -1.386) 2.444 10.648 ( -4.346 -0.028 -6.480) 7.803 10.717 ( -8.797 -1.619 -1.398) 9.053 10.759 ( -8.190 1.758 -2.244) 8.672 10.876 ( -5.048 -6.074 6.547) 10.258 10.929 ( -0.582 -4.119 5.990) 7.293 10.971 ( -3.759 -8.492 -1.285) 9.375 11.066 ( 0.585 0.836 1.222) 1.592 11.181 ( -4.415 4.690 2.801) 7.024 11.199 ( 0.932 6.435 3.933) 7.599 11.305 ( -2.139 1.061 4.895) 5.446 11.416 ( 0.766 -3.546 -0.452) 3.656 11.443 ( 5.276 -4.625 6.438) 9.522 11.538 ( -0.998 -1.348 -0.013) 1.677 11.605 ( -0.644 4.358 0.660) 4.455 11.726 ( 0.187 0.621 -2.796) 2.870 11.743 ( -1.549 -3.007 2.515) 4.215 11.893 ( 10.192 0.813 -0.876) 10.262 11.958 ( 3.476 -2.399 7.698) 8.781 12.005 ( 3.177 -0.748 2.191) 3.931 12.020 ( -0.059 -0.795 2.210) 2.349 12.083 ( 1.459 1.954 -0.599) 2.511 12.211 ( 4.741 -3.073 1.679) 5.894 12.215 ( 7.153 2.662 -3.407) 8.358 12.380 ( 6.718 -3.794 3.657) 8.538 12.434 ( 1.076 0.961 5.612) 5.795 12.485 ( 3.572 -1.741 3.068) 5.021 12.746 ( -2.090 1.750 -6.687) 7.221 12.797 ( -4.306 -1.044 3.392) 5.580 12.923 ( -0.700 4.576 1.852) 4.986 12.971 ( 0.984 0.972 8.699) 8.808 13.226 ( 1.376 0.977 -6.157) 6.384 13.262 ( -4.834 -1.468 -4.817) 6.980 13.357 ( -5.981 3.782 -3.283) 7.801 13.489 ( 4.247 -0.539 0.216) 4.287 13.680 ( -2.106 4.344 3.946) 6.235 13.752 ( 4.611 0.544 -1.727) 4.953 13.823 ( 3.706 -2.435 -3.663) 5.752 13.841 ( 3.955 1.328 1.827) 4.554 13.962 ( 1.458 3.079 -1.043) 3.563 14.087 ( 6.461 1.437 -1.113) 6.711 14.156 ( -2.630 0.743 -5.148) 5.828 14.238 ( -1.048 -0.430 -2.348) 2.607 14.300 ( 0.443 -1.716 -1.883) 2.586 14.440 ( 3.347 -0.076 -1.854) 3.827 14.520 ( -3.747 -6.637 0.577) 7.643 14.642 ( -2.929 1.991 -1.279) 3.765 14.769 ( 3.962 0.076 0.633) 4.013 14.805 ( 1.987 -4.467 -5.577) 7.416 14.893 ( 1.126 -1.802 -2.449) 3.242 14.924 ( -2.822 -5.138 -6.314) 8.616 15.045 ( -5.253 1.122 3.757) 6.555 15.069 ( 1.931 -1.757 3.388) 4.277 15.128 ( -0.492 -3.000 3.744) 4.823 15.178 ( -1.522 -2.810 3.693) 4.884 15.289 ( -0.949 4.005 -6.369) 7.583 15.384 ( 0.089 8.450 -0.311) 8.456 15.435 ( 1.102 2.966 -1.789) 3.635 15.582 ( 4.401 6.709 0.724) 8.056 15.630 ( 1.580 -0.361 -0.176) 1.631 15.651 ( 2.508 0.691 1.413) 2.960 15.898 ( -0.665 -8.058 3.169) 8.684 15.944 ( 2.921 -7.591 0.357) 8.142 16.008 ( -3.951 5.997 -0.308) 7.188 16.195 ( -1.686 0.709 0.087) 1.831 16.317 ( 1.407 -0.185 6.477) 6.630 16.321 ( 0.892 0.272 1.032) 1.391 16.452 ( -4.193 -0.934 -1.391) 4.516 16.522 ( -4.302 -3.031 -0.354) 5.274 16.593 ( 4.330 5.063 -3.091) 7.344 16.769 ( 1.082 -3.327 -3.651) 5.057 17.569 ( -1.583 0.304 -0.124) 1.617 17.613 ( -4.485 -1.107 -2.486) 5.246 17.672 ( 0.643 4.408 2.077) 4.915 17.828 ( -1.576 -3.201 6.549) 7.458 18.438 ( -0.538 0.420 -5.394) 5.437 18.474 ( -1.852 -1.359 -1.460) 2.722 18.559 ( 1.189 3.036 -1.085) 3.436 18.647 ( 2.570 -1.633 -0.081) 3.046 19.362 ( -5.429 3.418 -6.890) 9.414 19.583 ( -5.034 -5.642 -1.714) 7.754 19.812 ( 1.158 4.156 3.337) 5.454 19.844 ( -1.337 1.599 1.606) 2.631 20.125 ( -7.801 2.444 -2.746) 8.623 20.367 ( -10.113 -8.813 -2.363) 13.621 20.767 ( 2.184 8.531 0.809) 8.843 20.934 ( -1.149 4.343 -3.454) 5.667 21.081 ( 0.294 5.844 -0.666) 5.889 21.189 ( -1.310 0.994 6.093) 6.311 21.289 ( -2.141 -0.522 -6.445) 6.811 21.488 ( 2.227 -2.650 -7.488) 8.250 21.544 ( 2.587 0.193 -5.542) 6.119 21.667 ( -1.803 -4.243 7.146) 8.504 22.100 ( -0.293 1.078 5.423) 5.537 22.179 ( 3.835 -2.397 3.896) 5.969 22.574 ( -2.731 11.407 4.331) 12.504 22.755 ( 10.504 2.649 -3.230) 11.304 23.085 ( 2.778 -6.021 -7.426) 9.955 23.108 ( -4.132 -6.232 0.850) 7.526 24.256 ( 3.851 1.669 0.313) 4.208 24.360 ( 5.648 -2.751 4.530) 7.745 24.487 ( -4.892 4.504 -5.034) 8.340 24.697 ( 3.734 -5.015 -11.496) 13.086 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -11.509 12.403 21.577) 27.420 1.661 ( -16.489 9.033 15.526) 24.383 1.938 ( -5.923 -2.079 7.971) 10.146 1.973 ( -2.229 -5.115 3.499) 6.585 2.063 ( -5.871 0.174 3.185) 6.682 2.100 ( -1.944 -3.722 1.235) 4.377 2.194 ( -0.171 4.770 1.665) 5.055 2.332 ( -1.296 2.172 4.211) 4.912 2.459 ( 0.095 0.705 -1.400) 1.570 2.491 ( 0.800 -2.087 -1.120) 2.500 2.575 ( -2.390 -0.314 -1.767) 2.988 2.683 ( -3.548 -2.474 -2.707) 5.103 2.762 ( -1.086 4.913 4.650) 6.851 2.875 ( -2.183 5.478 2.881) 6.564 2.949 ( 2.590 -2.414 11.196) 11.742 3.168 ( 2.370 -2.229 -1.280) 3.497 3.209 ( -5.297 -1.019 -2.088) 5.785 3.304 ( -6.131 -3.963 4.370) 8.508 3.340 ( -2.796 1.464 -1.103) 3.343 3.451 ( -9.116 1.984 9.059) 13.004 3.496 ( -2.863 -5.630 0.241) 6.321 3.559 ( -5.877 1.113 5.218) 7.937 3.668 ( 1.928 1.072 5.303) 5.744 3.764 ( 5.011 2.021 11.489) 12.696 3.836 ( -4.871 -3.784 2.134) 6.527 3.926 ( -6.921 -4.850 -2.436) 8.795 3.955 ( 0.106 -1.127 0.440) 1.214 4.061 ( 6.704 1.167 -1.163) 6.903 4.085 ( 2.035 -2.768 1.794) 3.876 4.115 ( -6.331 2.747 3.812) 7.884 4.257 ( -1.277 2.380 -7.098) 7.595 4.375 ( -8.408 2.777 17.991) 20.052 4.449 ( -9.112 -8.081 -2.813) 12.500 4.716 ( -13.214 -14.502 14.354) 24.310 4.878 ( -3.471 4.660 1.269) 5.947 5.033 ( 2.141 2.661 -0.659) 3.479 5.181 ( -4.432 -1.406 -5.333) 7.075 5.308 ( -4.082 -9.492 0.468) 10.344 5.383 ( -3.749 -0.413 -4.533) 5.897 5.466 ( 1.540 6.837 -0.914) 7.068 5.567 ( -4.286 -5.081 -10.475) 12.406 5.654 ( -2.722 2.084 -3.497) 4.897 5.722 ( -1.517 4.359 -3.705) 5.918 5.773 ( -0.350 2.244 -5.014) 5.504 5.899 ( 6.191 -0.753 -0.823) 6.291 5.974 ( 0.988 -4.078 -0.859) 4.283 6.036 ( -3.848 0.290 1.570) 4.166 6.054 ( -2.474 2.171 -3.494) 4.800 6.196 ( 0.970 12.333 -3.722) 12.918 6.266 ( 1.924 6.318 -0.288) 6.610 6.409 ( -0.393 -0.360 3.744) 3.781 6.461 ( 9.914 0.388 0.348) 9.928 6.545 ( 4.405 5.420 -3.124) 7.651 6.654 ( 6.313 6.352 -9.622) 13.145 6.771 ( 8.979 1.311 -2.705) 9.469 6.831 ( 8.163 -6.584 -3.585) 11.083 6.976 ( 6.604 -1.073 -6.026) 9.004 7.027 ( -4.340 -1.031 -0.343) 4.474 7.040 ( 1.651 0.928 -3.123) 3.652 7.046 ( 0.318 -2.361 -3.782) 4.470 7.090 ( 9.681 -3.493 -1.349) 10.380 7.212 ( 4.791 6.873 -0.948) 8.432 7.251 ( 2.471 4.769 0.688) 5.415 7.352 ( -0.391 6.247 2.856) 6.880 7.402 ( -6.085 0.997 -2.176) 6.539 7.491 ( 1.618 -5.826 -0.681) 6.084 7.532 ( 5.642 -2.518 0.653) 6.213 7.583 ( 0.792 -9.880 -2.693) 10.271 7.751 ( 5.489 -4.872 -5.282) 9.042 7.826 ( 3.904 -6.329 -5.234) 9.094 7.932 ( 9.131 0.933 5.725) 10.818 8.011 ( 1.189 -1.909 2.565) 3.412 8.065 ( -2.983 0.357 0.154) 3.009 8.107 ( 4.697 2.234 -1.389) 5.383 8.128 ( 4.390 5.161 -0.024) 6.775 8.260 ( 2.007 2.689 -6.958) 7.725 8.331 ( 3.724 -0.189 0.393) 3.750 8.492 ( -0.764 -3.019 -1.332) 3.387 8.516 ( -0.451 2.058 -4.000) 4.521 8.558 ( 7.530 3.301 -1.633) 8.383 8.655 ( -1.685 1.016 -6.031) 6.344 8.744 ( 0.813 -2.124 -1.985) 3.019 8.781 ( -1.067 3.346 1.980) 4.032 8.861 ( -2.571 -1.728 3.158) 4.424 9.031 ( -5.212 -0.381 1.887) 5.556 9.084 ( -2.205 5.658 6.090) 8.600 9.146 ( -2.021 -1.335 1.467) 2.832 9.274 ( 0.167 -5.314 -2.874) 6.044 9.328 ( 0.034 0.383 7.423) 7.433 9.377 ( -6.945 1.127 -7.889) 10.571 9.475 ( -7.931 -2.431 -10.774) 13.597 9.495 ( 1.797 -6.908 6.956) 9.966 9.746 ( 0.491 0.066 12.823) 12.832 9.754 ( 1.638 2.254 6.982) 7.517 9.904 ( 5.785 5.450 12.994) 15.232 9.983 ( -0.300 1.034 12.888) 12.933 10.106 ( 6.548 5.199 9.163) 12.405 10.174 ( 2.651 1.013 0.894) 2.976 10.323 ( -6.498 -0.596 -12.075) 13.726 10.392 ( -3.406 -1.822 -2.217) 4.454 10.416 ( 2.486 1.790 -3.339) 4.532 10.493 ( -1.020 -0.374 -4.410) 4.542 10.525 ( -2.405 0.590 -0.477) 2.522 10.678 ( -1.652 -3.833 3.888) 5.704 10.780 ( -4.513 1.678 5.273) 7.141 10.831 ( -3.180 -2.965 4.475) 6.239 10.973 ( -0.845 -4.998 6.322) 8.103 11.041 ( -4.487 -7.776 5.680) 10.624 11.090 ( 6.807 -0.553 3.223) 7.551 11.144 ( -0.524 2.906 1.282) 3.219 11.293 ( 2.120 4.394 -0.606) 4.916 11.342 ( -4.130 2.703 9.418) 10.634 11.414 ( -2.189 -1.223 3.755) 4.515 11.476 ( -0.555 5.123 -0.309) 5.163 11.546 ( 2.384 -4.839 -2.367) 5.891 11.672 ( 1.405 -1.918 -1.016) 2.585 11.757 ( 3.497 0.899 3.396) 4.957 11.791 ( 6.612 -0.995 5.677) 8.771 11.956 ( 1.661 0.733 -2.940) 3.455 12.002 ( -2.343 -0.209 3.171) 3.948 12.058 ( 0.165 -3.053 2.777) 4.131 12.072 ( 1.953 -1.216 2.568) 3.448 12.211 ( 3.457 -2.672 4.532) 6.295 12.299 ( 4.967 -2.357 5.991) 8.132 12.363 ( 7.683 2.285 3.543) 8.764 12.428 ( -0.988 -3.210 -0.270) 3.370 12.496 ( -0.899 2.633 -0.355) 2.805 12.545 ( 1.938 -1.662 3.998) 4.744 12.668 ( -0.446 2.555 -3.264) 4.169 12.768 ( -4.269 0.099 -1.059) 4.400 12.965 ( 2.254 4.960 4.516) 7.077 13.071 ( -1.611 1.130 4.274) 4.706 13.181 ( -4.212 -0.419 6.684) 7.912 13.257 ( 0.379 1.099 -4.401) 4.552 13.270 ( 6.365 -3.043 0.497) 7.072 13.424 ( 0.782 -5.631 -10.524) 11.961 13.733 ( 4.507 2.965 -9.566) 10.982 13.764 ( 4.765 1.391 -5.145) 7.149 13.831 ( 0.301 4.131 -0.441) 4.165 13.837 ( 1.459 2.850 -10.140) 10.634 13.956 ( 5.061 -3.961 -3.133) 7.150 13.998 ( -6.720 -3.555 -5.908) 9.628 14.131 ( -1.513 0.506 -0.622) 1.713 14.173 ( -3.547 -4.734 -4.036) 7.161 14.326 ( 2.119 1.835 -1.071) 3.001 14.395 ( -5.243 -0.473 -7.281) 8.985 14.454 ( 2.579 -1.157 -1.212) 3.076 14.563 ( -4.782 2.719 -0.319) 5.510 14.737 ( 0.986 -2.945 -4.184) 5.210 14.768 ( -2.223 -5.047 -3.175) 6.363 14.858 ( 4.698 -1.508 -1.581) 5.181 14.931 ( -5.117 -0.414 -0.974) 5.226 15.040 ( 4.472 -0.511 3.838) 5.915 15.125 ( -5.300 1.064 0.745) 5.457 15.177 ( 1.444 1.199 1.958) 2.713 15.211 ( 0.544 -1.277 1.091) 1.766 15.238 ( 1.791 -1.322 3.658) 4.282 15.387 ( 1.265 3.819 -1.260) 4.216 15.424 ( 0.611 -0.132 -0.669) 0.915 15.623 ( 1.038 -1.256 -1.343) 2.111 15.652 ( 0.213 3.443 0.940) 3.575 15.761 ( 7.186 3.147 4.929) 9.265 15.915 ( -1.283 3.984 2.311) 4.781 15.985 ( 1.452 -4.679 3.115) 5.805 16.045 ( 3.891 -2.457 3.068) 5.531 16.160 ( -6.170 -2.622 -1.843) 6.953 16.240 ( -1.228 2.296 -0.832) 2.734 16.373 ( -1.414 -3.234 0.905) 3.644 16.418 ( -0.696 0.947 -1.086) 1.601 16.510 ( 1.123 -1.651 -0.421) 2.041 16.606 ( 2.385 3.361 -2.998) 5.096 16.698 ( -0.706 -1.411 -6.637) 6.822 17.485 ( -5.399 1.493 -6.768) 8.785 17.519 ( -2.521 -0.526 -3.401) 4.266 17.689 ( -1.581 4.544 0.906) 4.896 17.857 ( -6.464 -3.553 6.676) 9.949 18.352 ( -0.579 1.564 -4.736) 5.021 18.427 ( -0.153 -2.719 -2.419) 3.643 18.577 ( 0.130 3.305 1.762) 3.748 18.654 ( 1.060 -0.196 -2.764) 2.967 19.218 ( -4.481 2.606 -3.440) 6.221 19.406 ( -9.807 0.293 -4.035) 10.609 19.817 ( -0.027 2.952 1.352) 3.247 19.914 ( 2.445 2.119 4.198) 5.300 20.078 ( -2.315 -2.919 2.960) 4.758 20.248 ( -3.802 -9.001 5.328) 11.129 20.776 ( -1.819 6.289 -2.874) 7.150 20.854 ( 1.639 2.668 -6.004) 6.772 21.093 ( -0.844 5.496 0.544) 5.587 21.174 ( -1.103 7.609 0.410) 7.699 21.245 ( -0.069 -1.964 -1.989) 2.796 21.415 ( 1.142 2.921 -5.403) 6.248 21.600 ( 10.766 -1.599 -1.681) 11.013 21.709 ( -2.776 -4.139 4.968) 7.037 22.151 ( -2.798 -0.768 4.428) 5.294 22.238 ( -2.547 -1.096 2.866) 3.988 22.593 ( -0.938 7.480 2.563) 7.962 22.842 ( 5.946 -0.022 -4.040) 7.189 22.990 ( 0.459 -6.162 -9.314) 11.177 23.086 ( -1.457 -4.404 0.560) 4.673 24.288 ( 0.767 2.933 -5.912) 6.644 24.334 ( -4.449 5.273 -7.492) 10.184 24.500 ( 4.952 -2.433 4.260) 6.970 24.596 ( 2.842 -2.181 -5.102) 6.234 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -8.201 5.383 19.364) 21.707 1.711 ( -6.344 10.018 19.096) 22.478 1.952 ( -4.849 -7.324 8.898) 12.503 2.029 ( -0.183 -2.055 4.591) 5.034 2.058 ( -0.720 -1.257 3.638) 3.916 2.090 ( -0.655 -2.047 0.322) 2.173 2.211 ( -0.719 4.114 0.645) 4.226 2.308 ( -2.165 5.720 -0.057) 6.116 2.388 ( -5.944 -4.264 -5.380) 9.080 2.467 ( -3.503 1.533 -2.886) 4.791 2.523 ( -1.707 -0.085 -0.523) 1.787 2.576 ( -2.149 -0.344 -0.463) 2.225 2.753 ( -2.565 1.846 0.321) 3.176 2.835 ( -4.097 2.348 -0.550) 4.754 3.009 ( -12.336 -3.656 0.643) 12.883 3.059 ( -1.733 -5.967 2.170) 6.582 3.202 ( -0.293 -3.389 -1.645) 3.779 3.294 ( 0.646 -3.890 -4.002) 5.619 3.370 ( 0.576 2.267 5.860) 6.310 3.434 ( -3.157 -0.321 -1.416) 3.474 3.453 ( -3.019 0.539 2.395) 3.891 3.561 ( -3.942 -3.861 -0.764) 5.570 3.676 ( -8.440 0.921 1.723) 8.663 3.707 ( -4.877 6.060 -2.413) 8.144 3.744 ( -7.371 1.504 1.915) 7.763 3.877 ( 0.614 1.687 12.860) 12.985 4.021 ( 3.018 6.439 2.509) 7.541 4.091 ( 0.091 -8.298 3.373) 8.958 4.126 ( -1.635 6.538 2.425) 7.162 4.159 ( 3.754 0.379 -10.461) 11.121 4.290 ( 2.615 -1.626 1.849) 3.592 4.311 ( -0.918 -11.467 2.525) 11.777 4.535 ( -6.333 2.147 16.597) 17.894 4.798 ( -0.795 -0.424 12.077) 12.111 4.958 ( 5.372 -1.355 6.960) 8.896 5.077 ( -1.217 -0.940 -0.371) 1.582 5.138 ( 1.356 -6.158 8.741) 10.778 5.242 ( -7.370 -1.932 -4.297) 8.748 5.271 ( -1.215 -6.642 -1.439) 6.904 5.350 ( -0.317 -0.633 -5.165) 5.213 5.485 ( 3.740 7.558 -1.736) 8.609 5.616 ( 1.827 0.391 -0.510) 1.937 5.668 ( 0.412 2.776 -1.863) 3.369 5.794 ( 2.946 -3.204 -0.599) 4.394 5.942 ( 0.515 1.258 -3.091) 3.376 6.002 ( -2.467 1.675 3.172) 4.353 6.021 ( 2.819 -1.078 1.791) 3.509 6.032 ( 1.418 -1.267 1.943) 2.719 6.195 ( 3.147 12.922 0.503) 13.309 6.270 ( -0.677 3.546 1.219) 3.810 6.384 ( -2.694 2.159 -2.392) 4.200 6.572 ( 5.616 4.071 -5.275) 8.714 6.592 ( 3.261 -1.125 -1.285) 3.681 6.682 ( 4.482 4.243 0.876) 6.234 6.760 ( -1.441 1.576 -9.639) 9.873 6.891 ( 3.228 -0.355 -7.694) 8.351 6.987 ( 3.595 -2.489 -0.382) 4.389 7.008 ( 6.645 0.865 -0.298) 6.708 7.035 ( 1.661 1.026 2.949) 3.537 7.123 ( 2.110 -6.403 3.434) 7.566 7.201 ( 0.693 4.052 -0.544) 4.147 7.277 ( 9.851 -2.024 -3.460) 10.636 7.295 ( 2.353 0.460 2.025) 3.138 7.360 ( 0.485 1.806 -0.842) 2.051 7.422 ( 7.483 0.345 -1.435) 7.627 7.450 ( -0.478 -4.645 -5.701) 7.369 7.495 ( -1.367 -4.192 -2.621) 5.130 7.601 ( -0.216 -0.395 -2.544) 2.584 7.684 ( -1.265 -6.853 -7.969) 10.586 7.746 ( 1.992 -1.572 -7.197) 7.631 7.943 ( -3.831 5.445 -11.045) 12.897 7.981 ( -1.340 0.507 -3.462) 3.747 8.060 ( 2.304 -3.270 2.229) 4.579 8.164 ( 0.606 -5.301 -3.155) 6.199 8.239 ( -0.229 4.298 -1.149) 4.455 8.322 ( 6.833 1.206 7.344) 10.103 8.363 ( -3.411 2.601 1.523) 4.552 8.485 ( 1.588 2.724 -4.922) 5.845 8.546 ( -0.665 -0.601 0.915) 1.281 8.562 ( 4.891 -5.937 2.188) 7.998 8.608 ( -3.971 -0.379 -1.959) 4.445 8.647 ( 1.655 -3.792 -0.544) 4.173 8.818 ( 4.089 5.533 1.531) 7.049 8.906 ( 0.677 0.404 1.929) 2.084 8.964 ( -4.923 3.376 4.324) 7.371 9.051 ( -4.519 0.742 -1.745) 4.901 9.110 ( -6.252 0.815 -0.524) 6.326 9.191 ( -5.716 -0.819 -3.594) 6.802 9.219 ( 2.478 -1.422 -6.484) 7.085 9.227 ( 2.483 -0.349 -5.228) 5.798 9.508 ( 2.785 -0.443 6.791) 7.354 9.683 ( 4.745 -6.971 3.273) 9.046 9.797 ( 2.536 6.670 1.278) 7.249 9.902 ( -0.943 -0.711 4.844) 4.986 10.030 ( -0.820 2.564 0.052) 2.692 10.149 ( 8.521 -2.122 -3.510) 9.457 10.171 ( -4.653 -2.367 3.727) 6.415 10.207 ( 0.688 -2.540 8.843) 9.226 10.316 ( -0.935 3.385 6.792) 7.646 10.367 ( -1.054 1.007 7.356) 7.499 10.443 ( 5.974 -0.899 0.386) 6.053 10.519 ( 5.830 6.016 6.334) 10.503 10.560 ( 3.044 0.887 1.286) 3.421 10.676 ( -3.239 -3.242 4.643) 6.523 10.740 ( -1.740 2.725 0.978) 3.378 10.924 ( -3.407 -7.324 7.004) 10.692 10.964 ( -2.240 -1.655 2.694) 3.875 11.061 ( -2.145 -1.548 3.545) 4.423 11.221 ( -0.410 0.454 3.598) 3.650 11.236 ( 1.351 -1.750 2.168) 3.097 11.293 ( 6.917 5.322 2.315) 9.029 11.361 ( -3.053 4.256 4.549) 6.937 11.462 ( -2.972 1.850 7.147) 7.958 11.474 ( 3.343 4.177 -5.086) 7.382 11.549 ( 2.917 -5.110 -0.421) 5.899 11.684 ( 0.985 -4.170 -0.630) 4.331 11.847 ( 3.470 3.554 4.335) 6.593 11.904 ( 1.296 1.249 -5.158) 5.463 12.013 ( 6.877 1.824 3.650) 7.997 12.024 ( -4.060 -0.370 8.627) 9.542 12.073 ( -1.084 -4.802 1.127) 5.050 12.120 ( 2.900 -2.421 1.586) 4.097 12.238 ( -1.046 -0.328 -1.861) 2.160 12.340 ( -6.653 0.684 1.109) 6.779 12.425 ( 1.845 1.963 4.112) 4.916 12.473 ( -1.447 -2.856 3.525) 4.763 12.510 ( 1.047 3.626 0.428) 3.798 12.629 ( 0.718 -1.482 -0.540) 1.733 12.689 ( 1.843 0.146 7.413) 7.640 12.698 ( 1.735 -1.515 2.922) 3.720 13.006 ( -2.245 0.705 -0.618) 2.433 13.069 ( -6.203 0.227 4.798) 7.845 13.135 ( -5.897 2.867 -0.352) 6.567 13.273 ( 3.384 -3.071 -6.295) 7.779 13.321 ( 2.615 -3.681 -6.420) 7.849 13.417 ( 10.822 -6.010 -1.114) 12.429 13.594 ( 0.303 0.923 -12.296) 12.335 13.625 ( -3.975 0.296 -12.394) 13.019 13.738 ( 4.146 5.423 -9.326) 11.557 13.848 ( -2.151 -3.068 -7.656) 8.524 13.901 ( 2.884 0.777 0.126) 2.989 13.973 ( 3.619 -0.983 -4.967) 6.224 14.002 ( -9.693 -6.799 -3.789) 12.431 14.068 ( -1.496 -3.550 -2.682) 4.694 14.267 ( -5.932 3.403 -2.305) 7.217 14.320 ( 3.039 0.467 -1.001) 3.234 14.482 ( -1.158 3.902 -1.672) 4.400 14.505 ( -2.576 1.224 1.487) 3.217 14.660 ( 0.628 -0.520 -4.759) 4.828 14.767 ( -1.587 -7.966 1.815) 8.323 14.845 ( 2.330 1.455 -3.130) 4.165 14.935 ( 3.009 -0.633 1.136) 3.278 15.029 ( -6.044 2.076 0.821) 6.443 15.082 ( -5.247 2.785 -0.066) 5.940 15.169 ( -1.271 2.590 -4.758) 5.564 15.216 ( -0.716 -4.093 -0.704) 4.214 15.297 ( 2.959 1.640 1.406) 3.664 15.425 ( -1.703 -2.156 2.841) 3.952 15.469 ( 6.900 -5.127 3.183) 9.167 15.598 ( -1.768 -4.109 -0.906) 4.564 15.686 ( 1.060 5.975 3.534) 7.022 15.891 ( 3.381 0.573 1.707) 3.831 15.927 ( -0.849 6.024 0.762) 6.131 16.020 ( -0.689 0.197 -0.917) 1.164 16.061 ( 0.768 -0.249 0.788) 1.128 16.162 ( -0.835 -1.527 3.796) 4.175 16.257 ( -1.749 -1.020 -0.421) 2.068 16.304 ( -1.458 -3.856 -0.661) 4.175 16.392 ( -2.017 4.739 -0.657) 5.192 16.485 ( 0.787 -0.182 -5.944) 5.999 16.595 ( 1.068 0.708 -2.306) 2.638 16.626 ( 0.651 -0.907 -3.749) 3.912 17.351 ( -0.266 5.195 -1.659) 5.460 17.473 ( 0.442 -1.271 -0.387) 1.400 17.640 ( -3.500 3.665 -2.748) 5.765 17.783 ( -10.251 -2.557 1.353) 10.651 18.332 ( 2.213 -1.039 -1.540) 2.890 18.405 ( -0.804 -5.813 -1.207) 5.991 18.598 ( -1.145 3.611 2.218) 4.390 18.637 ( 3.550 3.393 -3.600) 6.089 19.162 ( -1.038 0.828 0.809) 1.555 19.265 ( -5.026 1.375 -1.080) 5.322 19.863 ( 0.834 -1.582 3.094) 3.573 19.973 ( 1.384 -2.855 0.062) 3.173 20.131 ( 3.910 -0.428 6.693) 7.763 20.373 ( 3.031 -7.063 11.264) 13.637 20.665 ( -2.691 9.634 -7.535) 12.523 20.825 ( 0.850 -2.009 -4.279) 4.803 21.058 ( -2.312 2.334 0.394) 3.309 21.183 ( -2.012 -1.116 -4.614) 5.156 21.229 ( 5.350 7.067 1.497) 8.989 21.445 ( 6.049 5.025 -0.241) 7.868 21.709 ( -2.996 -2.063 2.765) 4.569 21.778 ( 13.325 -2.496 0.378) 13.562 22.077 ( -7.208 0.304 -4.360) 8.429 22.191 ( -10.436 -3.229 4.425) 11.787 22.592 ( -0.332 5.805 -0.310) 5.823 22.843 ( 0.724 0.549 -2.144) 2.329 22.898 ( 1.663 -5.039 -6.903) 8.707 23.048 ( -3.581 -3.495 -1.186) 5.142 24.167 ( -5.729 3.653 -4.727) 8.277 24.177 ( -0.900 2.108 -6.927) 7.297 24.628 ( 6.227 -0.132 2.388) 6.670 24.662 ( 5.401 0.008 0.589) 5.433 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 3.219 -2.500 10.932) 11.667 1.881 ( 3.219 2.500 10.932) 11.667 2.040 ( -0.498 -5.170 4.342) 6.769 2.040 ( -0.498 5.170 4.342) 6.769 2.075 ( 1.321 -2.063 1.286) 2.767 2.075 ( 1.321 2.063 1.286) 2.767 2.197 ( -2.371 -1.609 -4.462) 5.303 2.197 ( -2.371 1.609 -4.462) 5.303 2.378 ( -2.062 -1.272 -0.752) 2.537 2.378 ( -2.062 1.272 -0.752) 2.537 2.503 ( -0.373 -0.624 1.850) 1.988 2.503 ( -0.373 0.624 1.850) 1.988 2.816 ( 0.047 -1.530 -1.031) 1.846 2.816 ( 0.047 1.530 -1.031) 1.846 2.845 ( -4.821 -1.636 1.797) 5.399 2.845 ( -4.821 1.636 1.797) 5.399 3.193 ( 0.052 -2.915 -1.947) 3.506 3.193 ( 0.052 2.915 -1.947) 3.506 3.375 ( -0.388 -2.739 -0.934) 2.920 3.375 ( -0.388 2.739 -0.934) 2.920 3.493 ( -1.190 -0.676 3.426) 3.689 3.493 ( -1.190 0.676 3.426) 3.689 3.695 ( -2.438 -7.057 3.261) 8.147 3.695 ( -2.438 7.057 3.261) 8.147 3.798 ( -1.541 -9.965 -3.945) 10.828 3.798 ( -1.541 9.965 -3.945) 10.828 4.040 ( 3.438 -1.347 -7.688) 8.528 4.040 ( 3.438 1.347 -7.688) 8.528 4.250 ( -0.712 -3.078 11.023) 11.466 4.250 ( -0.712 3.078 11.023) 11.466 4.320 ( 1.906 -2.928 2.446) 4.265 4.320 ( 1.906 2.928 2.446) 4.265 4.642 ( -3.169 -8.043 -1.224) 8.731 4.642 ( -3.169 8.043 -1.224) 8.731 5.107 ( -4.877 -4.352 1.689) 6.751 5.107 ( -4.877 4.352 1.689) 6.751 5.122 ( 0.528 -6.191 7.588) 9.808 5.122 ( 0.528 6.191 7.588) 9.808 5.461 ( 8.849 -4.154 8.604) 13.023 5.461 ( 8.849 4.154 8.604) 13.023 5.606 ( 0.079 -1.172 -3.559) 3.747 5.606 ( 0.079 1.172 -3.559) 3.747 5.725 ( 1.257 -3.812 4.572) 6.084 5.725 ( 1.257 3.812 4.572) 6.084 5.908 ( -2.362 -4.675 -6.580) 8.410 5.908 ( -2.362 4.675 -6.580) 8.410 6.063 ( 2.077 -2.135 0.003) 2.978 6.063 ( 2.077 2.135 0.003) 2.978 6.298 ( -0.828 -2.602 3.615) 4.530 6.298 ( -0.828 2.602 3.615) 4.530 6.537 ( -0.032 -7.167 -9.938) 12.253 6.537 ( -0.032 7.167 -9.938) 12.253 6.675 ( -0.267 -8.945 4.373) 9.960 6.675 ( -0.267 8.945 4.373) 9.960 6.750 ( 0.410 -3.777 -3.253) 5.002 6.750 ( 0.410 3.777 -3.253) 5.002 7.014 ( -2.878 -2.064 -0.701) 3.610 7.014 ( -2.878 2.064 -0.701) 3.610 7.109 ( 0.891 -3.722 4.738) 6.091 7.109 ( 0.891 3.722 4.738) 6.091 7.238 ( 1.526 -3.103 -3.850) 5.175 7.238 ( 1.526 3.103 -3.850) 5.175 7.327 ( -4.771 -4.241 -5.207) 8.237 7.327 ( -4.771 4.241 -5.207) 8.237 7.391 ( 2.658 -1.381 -3.150) 4.347 7.391 ( 2.658 1.381 -3.150) 4.347 7.533 ( 1.536 -2.993 1.312) 3.611 7.533 ( 1.536 2.993 1.312) 3.611 7.670 ( 1.012 -4.234 -2.482) 5.011 7.670 ( 1.012 4.234 -2.482) 5.011 7.823 ( -3.278 -0.777 -5.299) 6.279 7.823 ( -3.278 0.777 -5.299) 6.279 8.056 ( 1.039 -4.777 2.132) 5.333 8.056 ( 1.039 4.777 2.132) 5.333 8.237 ( -4.382 -4.843 -3.692) 7.502 8.237 ( -4.382 4.843 -3.692) 7.502 8.336 ( 0.017 -2.139 -1.768) 2.775 8.336 ( 0.017 2.139 -1.768) 2.775 8.603 ( 1.085 -2.590 0.126) 2.811 8.603 ( 1.085 2.590 0.126) 2.811 8.768 ( 5.719 -4.271 5.984) 9.314 8.768 ( 5.719 4.271 5.984) 9.314 8.872 ( -1.915 -2.281 0.547) 3.027 8.872 ( -1.915 2.281 0.547) 3.027 9.013 ( -0.417 -1.955 0.958) 2.217 9.013 ( -0.417 1.955 0.958) 2.217 9.109 ( 3.256 -1.942 -7.759) 8.636 9.109 ( 3.256 1.942 -7.759) 8.636 9.220 ( 0.368 -2.460 1.065) 2.705 9.220 ( 0.368 2.460 1.065) 2.705 9.646 ( 2.121 -3.015 4.244) 5.621 9.646 ( 2.121 3.015 4.244) 5.621 9.813 ( -4.402 -3.631 -6.924) 8.972 9.813 ( -4.402 3.631 -6.924) 8.972 10.112 ( 1.556 -2.058 -1.328) 2.902 10.112 ( 1.556 2.058 -1.328) 2.902 10.219 ( -7.983 -5.200 11.253) 14.744 10.219 ( -7.983 5.200 11.253) 14.744 10.363 ( 8.370 -6.478 -3.023) 11.007 10.363 ( 8.370 6.478 -3.023) 11.007 10.673 ( 8.912 -0.614 3.540) 9.609 10.673 ( 8.912 0.614 3.540) 9.609 10.722 ( -4.381 -5.359 -0.510) 6.940 10.722 ( -4.381 5.359 -0.510) 6.940 10.843 ( 2.866 -0.858 10.970) 11.371 10.843 ( 2.866 0.858 10.970) 11.371 10.992 ( -5.031 -3.764 -1.710) 6.512 10.992 ( -5.031 3.764 -1.710) 6.512 11.221 ( 1.076 -2.804 -3.593) 4.683 11.221 ( 1.076 2.804 -3.593) 4.683 11.460 ( 1.231 -3.836 -1.523) 4.307 11.460 ( 1.231 3.836 -1.523) 4.307 11.507 ( -2.530 -2.754 8.722) 9.490 11.507 ( -2.530 2.754 8.722) 9.490 11.599 ( 4.528 -6.766 -1.144) 8.221 11.599 ( 4.528 6.766 -1.144) 8.221 11.863 ( -2.123 -3.609 -2.155) 4.709 11.863 ( -2.123 3.609 -2.155) 4.709 12.032 ( 0.170 -2.820 -0.519) 2.872 12.032 ( 0.170 2.820 -0.519) 2.872 12.137 ( -3.097 -0.410 3.030) 4.352 12.137 ( -3.097 0.410 3.030) 4.352 12.351 ( 3.586 -2.719 8.565) 9.676 12.351 ( 3.586 2.719 8.565) 9.676 12.439 ( -2.384 -0.999 -1.808) 3.154 12.439 ( -2.384 0.999 -1.808) 3.154 12.593 ( 1.016 -2.171 0.434) 2.437 12.593 ( 1.016 2.171 0.434) 2.437 12.763 ( 1.085 -2.777 2.178) 3.692 12.763 ( 1.085 2.777 2.178) 3.692 12.970 ( -7.808 -6.395 2.208) 10.331 12.970 ( -7.808 6.395 2.208) 10.331 13.128 ( 4.230 -3.813 -1.045) 5.790 13.128 ( 4.230 3.813 -1.045) 5.790 13.297 ( -2.972 -2.379 -10.125) 10.817 13.297 ( -2.972 2.379 -10.125) 10.817 13.543 ( 1.775 -2.668 1.552) 3.560 13.543 ( 1.775 2.668 1.552) 3.560 13.657 ( -2.135 -2.815 -7.452) 8.247 13.657 ( -2.135 2.815 -7.452) 8.247 13.895 ( 1.523 -1.638 -3.628) 4.262 13.895 ( 1.523 1.638 -3.628) 4.262 14.060 ( 4.796 -1.012 2.510) 5.507 14.060 ( 4.796 1.012 2.510) 5.507 14.238 ( -4.072 -2.804 -0.330) 4.955 14.238 ( -4.072 2.804 -0.330) 4.955 14.572 ( 0.032 -7.646 -0.208) 7.649 14.572 ( 0.032 7.646 -0.208) 7.649 14.589 ( 0.163 -7.905 -1.972) 8.149 14.589 ( 0.163 7.905 -1.972) 8.149 14.946 ( 1.814 -2.742 1.268) 3.524 14.946 ( 1.814 2.742 1.268) 3.524 15.019 ( -2.841 -1.729 -1.572) 3.679 15.019 ( -2.841 1.729 -1.572) 3.679 15.098 ( -0.404 -1.597 -1.895) 2.512 15.098 ( -0.404 1.597 -1.895) 2.512 15.338 ( -0.558 -1.476 -1.183) 1.973 15.338 ( -0.558 1.476 -1.183) 1.973 15.569 ( 1.737 -0.686 2.263) 2.934 15.569 ( 1.737 0.686 2.263) 2.934 15.892 ( 1.932 -6.161 4.362) 7.792 15.892 ( 1.932 6.161 4.362) 7.792 15.967 ( -2.264 -4.700 -3.262) 6.153 15.967 ( -2.264 4.700 -3.262) 6.153 16.158 ( -0.063 -3.827 3.670) 5.303 16.158 ( -0.063 3.827 3.670) 5.303 16.221 ( -0.679 -4.416 -1.858) 4.839 16.221 ( -0.679 4.416 -1.858) 4.839 16.414 ( -1.628 -1.786 -1.337) 2.762 16.414 ( -1.628 1.786 -1.337) 2.762 16.597 ( 0.468 -0.680 -1.044) 1.331 16.597 ( 0.468 0.680 -1.044) 1.331 17.498 ( 5.620 -3.203 3.573) 7.390 17.498 ( 5.620 3.203 3.573) 7.390 17.579 ( -5.623 -3.153 -4.669) 7.960 17.579 ( -5.623 3.153 -4.669) 7.960 18.312 ( -2.226 -0.286 0.996) 2.456 18.312 ( -2.226 0.286 0.996) 2.456 18.673 ( 3.074 -2.297 -2.507) 4.583 18.673 ( 3.074 2.297 -2.507) 4.583 19.199 ( 0.085 -1.995 0.645) 2.098 19.199 ( 0.085 1.995 0.645) 2.098 19.880 ( -0.318 -2.452 -0.395) 2.504 19.880 ( -0.318 2.452 -0.395) 2.504 20.441 ( 1.661 -7.448 11.933) 14.164 20.441 ( 1.661 7.448 11.933) 14.164 20.676 ( -0.566 -5.685 -8.491) 10.234 20.676 ( -0.566 5.685 -8.491) 10.234 21.093 ( -0.099 -1.877 -0.592) 1.970 21.093 ( -0.099 1.877 -0.592) 1.970 21.371 ( 0.089 -4.133 -3.346) 5.319 21.371 ( 0.089 4.133 -3.346) 5.319 21.883 ( 2.399 -6.820 3.268) 7.934 21.883 ( 2.399 6.820 3.268) 7.934 21.972 ( -2.616 -3.185 -1.430) 4.363 21.972 ( -2.616 3.185 -1.430) 4.363 22.771 ( 1.435 -7.103 -0.342) 7.254 22.771 ( 1.435 7.103 -0.342) 7.254 22.856 ( -1.950 -4.797 -1.998) 5.551 22.856 ( -1.950 4.797 -1.998) 5.551 24.120 ( -0.496 -1.308 -2.142) 2.558 24.120 ( -0.496 1.308 -2.142) 2.558 24.715 ( 2.151 -0.870 -0.984) 2.520 24.715 ( 2.151 0.870 -0.984) 2.520 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 4.669 -3.549 -8.085) 9.988 1.955 ( 4.669 3.549 -8.085) 9.988 2.057 ( -0.544 -3.277 1.695) 3.729 2.057 ( -0.544 3.277 1.695) 3.730 2.090 ( 2.443 -3.662 -3.195) 5.440 2.090 ( 2.443 3.662 -3.195) 5.440 2.223 ( 4.186 -0.730 3.306) 5.383 2.223 ( 4.186 0.730 3.306) 5.383 2.379 ( -0.003 -5.790 2.582) 6.340 2.379 ( -0.003 5.790 2.582) 6.340 2.550 ( 3.602 -3.400 -0.656) 4.996 2.550 ( 3.602 3.400 -0.656) 4.996 2.811 ( 2.580 -4.313 4.262) 6.590 2.811 ( 2.580 4.313 4.262) 6.590 2.934 ( 6.828 -6.301 3.656) 9.984 2.934 ( 6.828 6.301 3.656) 9.984 3.189 ( 1.136 -1.796 0.145) 2.130 3.189 ( 1.136 1.796 0.145) 2.130 3.374 ( -0.030 -2.779 1.251) 3.047 3.374 ( -0.030 2.779 1.251) 3.047 3.513 ( -0.261 -2.443 0.864) 2.604 3.513 ( -0.261 2.443 0.864) 2.604 3.724 ( -3.225 -7.643 4.301) 9.344 3.724 ( -3.225 7.643 4.301) 9.344 3.778 ( 4.628 -7.320 1.077) 8.727 3.778 ( 4.628 7.320 1.077) 8.727 4.034 ( 4.442 -1.521 -2.868) 5.502 4.034 ( 4.442 1.521 -2.868) 5.502 4.290 ( -0.635 -3.556 -3.929) 5.337 4.290 ( -0.635 3.556 -3.929) 5.337 4.337 ( -0.464 -0.833 -2.394) 2.577 4.337 ( -0.464 0.833 -2.394) 2.577 4.642 ( 0.690 -4.679 7.868) 9.180 4.642 ( 0.690 4.679 7.868) 9.180 5.041 ( -6.424 -3.485 1.726) 7.510 5.041 ( -6.424 3.485 1.726) 7.510 5.245 ( 6.893 -3.136 0.025) 7.573 5.245 ( 6.893 3.136 0.025) 7.573 5.419 ( -5.790 -1.656 -10.206) 11.850 5.419 ( -5.790 1.656 -10.206) 11.850 5.577 ( -1.284 -2.426 -3.396) 4.367 5.577 ( -1.284 2.426 -3.397) 4.367 5.759 ( 0.334 -2.163 -5.874) 6.268 5.759 ( 0.334 2.163 -5.874) 6.268 5.902 ( 1.549 -4.490 6.988) 8.449 5.902 ( 1.549 4.490 6.988) 8.449 6.071 ( 2.494 -0.194 -2.836) 3.781 6.071 ( 2.494 0.194 -2.836) 3.781 6.321 ( -0.466 -4.814 -1.228) 4.990 6.321 ( -0.466 4.814 -1.228) 4.990 6.442 ( -5.686 -3.269 5.826) 8.773 6.442 ( -5.686 3.269 5.826) 8.773 6.631 ( -7.176 -10.030 -2.931) 12.677 6.631 ( -7.176 10.030 -2.931) 12.677 6.734 ( 0.078 -4.412 2.220) 4.939 6.734 ( 0.078 4.412 2.220) 4.939 7.005 ( -5.606 -4.817 2.126) 7.691 7.005 ( -5.606 4.817 2.126) 7.691 7.058 ( -5.141 -4.953 -2.353) 7.516 7.058 ( -5.141 4.953 -2.353) 7.516 7.217 ( -0.944 -2.214 3.828) 4.522 7.217 ( -0.944 2.214 3.828) 4.522 7.318 ( -4.551 -3.507 -1.688) 5.988 7.318 ( -4.551 3.507 -1.688) 5.988 7.368 ( 2.565 -3.274 3.569) 5.481 7.368 ( 2.565 3.274 3.569) 5.481 7.480 ( -2.294 -1.538 -3.054) 4.118 7.480 ( -2.294 1.538 -3.054) 4.118 7.627 ( -0.308 -2.528 2.448) 3.532 7.627 ( -0.308 2.528 2.448) 3.532 7.858 ( 3.400 -5.585 4.790) 8.105 7.858 ( 3.400 5.585 4.790) 8.105 8.063 ( -3.331 -1.790 -1.681) 4.139 8.063 ( -3.331 1.790 -1.681) 4.139 8.263 ( 6.714 -1.972 6.074) 9.266 8.263 ( 6.714 1.972 6.074) 9.266 8.386 ( 5.275 -2.642 -0.354) 5.910 8.386 ( 5.275 2.642 -0.354) 5.910 8.608 ( -0.306 -2.200 -2.386) 3.260 8.608 ( -0.306 2.200 -2.386) 3.260 8.706 ( -7.165 -4.276 -6.043) 10.302 8.706 ( -7.165 4.276 -6.043) 10.302 8.925 ( -3.852 -3.544 -3.415) 6.250 8.925 ( -3.852 3.544 -3.415) 6.250 9.002 ( 1.276 -0.787 -0.175) 1.510 9.002 ( 1.276 0.787 -0.175) 1.510 9.067 ( 5.827 -0.309 2.280) 6.265 9.067 ( 5.827 0.309 2.280) 6.265 9.253 ( 3.254 -2.336 -1.611) 4.317 9.253 ( 3.254 2.336 -1.611) 4.317 9.574 ( -6.773 -6.419 -1.035) 9.388 9.574 ( -6.773 6.419 -1.035) 9.388 9.881 ( 6.760 -4.817 6.769) 10.710 9.881 ( 6.760 4.817 6.769) 10.710 10.024 ( -8.974 -1.877 -1.299) 9.260 10.024 ( -8.974 1.877 -1.299) 9.260 10.238 ( -3.037 -7.505 2.243) 8.401 10.238 ( -3.037 7.505 2.243) 8.401 10.433 ( 8.019 -4.341 -7.445) 11.772 10.433 ( 8.019 4.341 -7.445) 11.772 10.599 ( -3.544 -1.906 -5.143) 6.530 10.599 ( -3.544 1.906 -5.143) 6.530 10.815 ( -0.411 -4.181 -6.945) 8.117 10.815 ( -0.411 4.181 -6.945) 8.117 10.851 ( 3.881 -5.426 -1.580) 6.855 10.851 ( 3.881 5.426 -1.580) 6.855 11.021 ( 1.135 -3.669 7.638) 8.550 11.021 ( 1.135 3.669 7.638) 8.550 11.180 ( -1.004 -1.124 -1.471) 2.106 11.180 ( -1.004 1.124 -1.471) 2.106 11.396 ( -5.236 -0.981 -0.883) 5.400 11.396 ( -5.236 0.981 -0.883) 5.400 11.548 ( -1.872 -3.994 0.131) 4.413 11.548 ( -1.872 3.994 0.131) 4.413 11.645 ( 7.116 -4.207 -6.596) 10.576 11.645 ( 7.116 4.207 -6.596) 10.576 11.855 ( -0.742 -7.560 4.392) 8.774 11.855 ( -0.742 7.560 4.392) 8.774 12.004 ( -2.622 -3.167 0.451) 4.136 12.004 ( -2.622 3.167 0.451) 4.136 12.159 ( -0.894 -3.495 1.148) 3.786 12.159 ( -0.894 3.495 1.148) 3.786 12.332 ( -3.402 -5.433 -4.552) 7.862 12.332 ( -3.402 5.433 -4.552) 7.862 12.461 ( 2.121 -3.498 3.672) 5.497 12.461 ( 2.121 3.498 3.672) 5.497 12.590 ( -2.739 -4.308 -3.192) 6.021 12.590 ( -2.739 4.308 -3.192) 6.021 12.775 ( 1.430 -4.284 -1.877) 4.891 12.775 ( 1.430 4.284 -1.877) 4.891 12.996 ( -1.123 -5.692 8.365) 10.180 12.996 ( -1.123 5.692 8.365) 10.180 13.079 ( -1.386 -1.865 -2.096) 3.129 13.079 ( -1.386 1.865 -2.096) 3.129 13.294 ( 3.144 -2.814 4.429) 6.117 13.294 ( 3.144 2.814 4.429) 6.117 13.495 ( -3.198 -2.645 -1.005) 4.270 13.495 ( -3.198 2.645 -1.005) 4.270 13.671 ( 1.278 -2.657 4.424) 5.317 13.671 ( 1.278 2.657 4.424) 5.317 13.911 ( 4.305 -1.108 -1.005) 4.557 13.911 ( 4.305 1.108 -1.005) 4.557 14.013 ( -2.615 -3.810 -3.998) 6.111 14.013 ( -2.615 3.810 -3.998) 6.111 14.312 ( 5.039 -2.386 1.025) 5.669 14.312 ( 5.039 2.386 1.025) 5.669 14.513 ( -2.577 -6.314 2.404) 7.232 14.513 ( -2.577 6.314 2.404) 7.232 14.633 ( 2.751 -9.158 -0.549) 9.578 14.633 ( 2.751 9.158 -0.549) 9.578 14.901 ( -3.765 -5.154 -0.540) 6.406 14.901 ( -3.765 5.154 -0.540) 6.406 15.068 ( 3.411 -4.716 2.601) 6.375 15.068 ( 3.411 4.716 2.601) 6.375 15.127 ( 4.576 -1.699 0.275) 4.889 15.127 ( 4.576 1.699 0.275) 4.889 15.324 ( -1.334 -1.771 0.830) 2.367 15.324 ( -1.334 1.771 0.830) 2.368 15.555 ( -1.686 -1.596 -2.460) 3.383 15.555 ( -1.686 1.596 -2.460) 3.383 15.866 ( -4.546 -5.573 -2.298) 7.551 15.866 ( -4.546 5.573 -2.298) 7.551 16.002 ( 4.579 -4.485 2.348) 6.826 16.002 ( 4.579 4.485 2.348) 6.826 16.164 ( -1.585 -5.414 -1.083) 5.744 16.164 ( -1.585 5.414 -1.083) 5.744 16.223 ( 1.104 -5.657 0.828) 5.823 16.223 ( 1.104 5.657 0.828) 5.823 16.399 ( -1.405 -1.212 2.805) 3.363 16.399 ( -1.405 1.212 2.805) 3.363 16.578 ( -1.579 -1.644 0.086) 2.281 16.578 ( -1.579 1.644 0.086) 2.281 17.446 ( -3.028 -3.876 -2.898) 5.709 17.446 ( -3.028 3.876 -2.898) 5.709 17.674 ( 9.314 -5.336 3.405) 11.261 17.674 ( 9.314 5.336 3.405) 11.261 18.298 ( -2.741 -2.064 2.782) 4.418 18.298 ( -2.741 2.064 2.782) 4.418 18.671 ( 1.711 -2.694 -3.380) 4.648 18.671 ( 1.711 2.694 -3.380) 4.648 19.229 ( 3.419 -4.802 -0.357) 5.906 19.229 ( 3.419 4.802 -0.357) 5.906 19.870 ( -1.013 -1.091 0.810) 1.695 19.870 ( -1.013 1.091 0.810) 1.695 20.413 ( -9.062 -9.155 -5.060) 13.840 20.413 ( -9.062 9.155 -5.060) 13.840 20.670 ( 3.373 -2.773 2.747) 5.159 20.670 ( 3.373 2.773 2.747) 5.159 21.095 ( 0.692 -2.402 0.621) 2.576 21.095 ( 0.692 2.402 0.621) 2.576 21.362 ( -0.019 -5.956 0.677) 5.995 21.362 ( -0.019 5.956 0.677) 5.995 21.758 ( -8.480 -3.728 -1.690) 9.417 21.758 ( -8.480 3.728 -1.690) 9.417 22.126 ( 11.440 -7.004 1.027) 13.452 22.126 ( 11.440 7.004 1.027) 13.452 22.692 ( -6.403 -6.799 0.969) 9.390 22.692 ( -6.403 6.799 0.969) 9.390 22.919 ( 5.691 -8.157 0.634) 9.966 22.919 ( 5.691 8.157 0.634) 9.966 24.128 ( 2.201 -1.939 1.397) 3.249 24.128 ( 2.201 1.939 1.397) 3.249 24.684 ( -2.807 -1.650 -2.775) 4.279 24.684 ( -2.807 1.650 -2.775) 4.279 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 8.792 -5.067 -10.145) 14.349 1.941 ( 8.792 5.067 -10.145) 14.349 2.027 ( 1.320 -1.700 -5.481) 5.888 2.027 ( 1.320 1.700 -5.481) 5.888 2.114 ( 5.093 -0.363 -2.429) 5.655 2.114 ( 5.093 0.363 -2.429) 5.655 2.301 ( 1.358 -5.479 1.716) 5.900 2.301 ( 1.358 5.479 1.716) 5.900 2.417 ( 0.112 -4.227 2.915) 5.136 2.417 ( 0.112 4.227 2.915) 5.136 2.582 ( 1.843 -3.115 0.748) 3.696 2.582 ( 1.843 3.115 0.748) 3.696 2.936 ( 6.602 -2.530 -0.916) 7.129 2.936 ( 6.602 2.530 -0.916) 7.129 3.066 ( 0.967 -4.955 3.776) 6.305 3.066 ( 0.967 4.955 3.776) 6.305 3.201 ( 2.123 -7.233 -1.518) 7.689 3.201 ( 2.123 7.233 -1.518) 7.689 3.386 ( -0.428 -4.042 1.666) 4.393 3.386 ( -0.428 4.042 1.666) 4.393 3.559 ( 4.149 -3.364 1.560) 5.564 3.559 ( 4.149 3.364 1.560) 5.564 3.744 ( -2.271 -3.800 6.730) 8.055 3.744 ( -2.271 3.800 6.730) 8.055 3.858 ( 2.795 -3.033 -2.184) 4.668 3.858 ( 2.795 3.033 -2.184) 4.668 4.062 ( 2.977 -2.197 -1.398) 3.955 4.062 ( 2.977 2.197 -1.398) 3.955 4.201 ( -3.433 -3.211 -8.780) 9.960 4.201 ( -3.433 3.211 -8.780) 9.960 4.284 ( 6.099 -1.530 -2.951) 6.946 4.284 ( 6.099 1.530 -2.951) 6.946 4.801 ( 3.730 -8.356 9.276) 13.030 4.801 ( 3.730 8.356 9.276) 13.030 4.989 ( -0.970 -2.778 -3.549) 4.610 4.989 ( -0.970 2.778 -3.549) 4.610 5.153 ( -0.243 -4.905 -7.635) 9.078 5.153 ( -0.243 4.905 -7.635) 9.078 5.395 ( 7.995 -4.382 -6.788) 11.367 5.395 ( 7.995 4.382 -6.788) 11.367 5.507 ( -2.820 -5.772 4.202) 7.676 5.507 ( -2.820 5.772 4.202) 7.676 5.743 ( 1.291 -1.162 0.308) 1.764 5.743 ( 1.291 1.162 0.308) 1.764 5.923 ( -2.315 -3.202 -0.082) 3.952 5.923 ( -2.315 3.202 -0.082) 3.952 6.067 ( 0.898 -1.794 -1.924) 2.780 6.067 ( 0.898 1.794 -1.924) 2.780 6.294 ( -5.621 -4.256 1.401) 7.188 6.294 ( -5.621 4.256 1.401) 7.188 6.381 ( -5.697 -1.725 2.185) 6.341 6.381 ( -5.697 1.725 2.185) 6.341 6.556 ( -4.270 -3.591 3.256) 6.460 6.556 ( -4.270 3.591 3.256) 6.460 6.778 ( -4.790 -1.109 2.922) 5.720 6.778 ( -4.790 1.109 2.922) 5.720 6.874 ( -5.886 -3.707 0.778) 7.000 6.874 ( -5.886 3.707 0.778) 7.000 6.994 ( -6.782 -1.029 2.555) 7.320 6.994 ( -6.782 1.029 2.555) 7.320 7.180 ( -5.374 -4.374 4.292) 8.151 7.180 ( -5.374 4.374 4.292) 8.151 7.329 ( 3.281 -6.815 3.553) 8.357 7.329 ( 3.281 6.815 3.553) 8.357 7.422 ( -0.701 -9.262 -4.949) 10.524 7.422 ( -0.701 9.262 -4.949) 10.524 7.448 ( 1.736 -3.841 0.960) 4.323 7.448 ( 1.736 3.841 0.960) 4.323 7.684 ( -0.025 -4.839 3.526) 5.988 7.684 ( -0.025 4.839 3.526) 5.988 7.975 ( -0.376 -2.320 3.454) 4.178 7.975 ( -0.376 2.320 3.454) 4.178 8.032 ( -2.776 -3.820 5.649) 7.363 8.032 ( -2.776 3.820 5.649) 7.363 8.302 ( -8.568 -5.706 -5.781) 11.807 8.302 ( -8.568 5.706 -5.781) 11.807 8.396 ( 0.068 -9.815 -0.918) 9.859 8.396 ( 0.068 9.815 -0.918) 9.859 8.512 ( -3.036 -1.754 -2.544) 4.331 8.512 ( -3.036 1.754 -2.544) 4.331 8.603 ( 2.882 -5.284 2.561) 6.541 8.603 ( 2.882 5.284 2.561) 6.541 8.891 ( 2.695 -4.880 -0.404) 5.589 8.891 ( 2.695 4.880 -0.404) 5.589 9.035 ( 2.309 -2.573 2.412) 4.216 9.035 ( 2.309 2.573 2.412) 4.216 9.199 ( 1.775 -1.043 1.456) 2.522 9.199 ( 1.775 1.043 1.456) 2.522 9.317 ( 9.929 -2.730 -0.273) 10.301 9.317 ( 9.929 2.730 -0.273) 10.301 9.483 ( -3.928 -4.223 -3.041) 6.520 9.483 ( -3.928 4.223 -3.041) 6.520 9.884 ( -4.867 -3.290 -1.750) 6.130 9.884 ( -4.867 3.290 -1.750) 6.130 10.059 ( 2.679 -2.283 9.146) 9.800 10.059 ( 2.679 2.283 9.146) 9.800 10.172 ( -3.829 -3.827 -1.485) 5.614 10.172 ( -3.829 3.827 -1.485) 5.614 10.392 ( -1.718 -3.391 -9.344) 10.087 10.392 ( -1.718 3.391 -9.344) 10.087 10.500 ( 2.618 -2.816 -8.466) 9.298 10.500 ( 2.618 2.816 -8.466) 9.298 10.687 ( 2.151 -6.234 -8.296) 10.598 10.687 ( 2.151 6.234 -8.296) 10.598 10.933 ( 7.124 -7.266 -4.681) 11.200 10.933 ( 7.124 7.266 -4.681) 11.200 11.026 ( 0.697 -3.268 -3.101) 4.559 11.026 ( 0.697 3.268 -3.101) 4.559 11.156 ( -6.376 -1.763 -0.939) 6.682 11.156 ( -6.376 1.763 -0.939) 6.682 11.336 ( -1.076 -4.864 1.419) 5.179 11.336 ( -1.076 4.864 1.419) 5.179 11.524 ( -0.256 -5.640 1.658) 5.884 11.524 ( -0.256 5.640 1.658) 5.884 11.633 ( 5.120 -2.579 -9.363) 10.979 11.633 ( 5.120 2.579 -9.363) 10.979 11.844 ( -8.498 -5.931 -0.845) 10.397 11.844 ( -8.498 5.931 -0.845) 10.397 11.968 ( -1.986 -3.866 -0.012) 4.346 11.968 ( -1.986 3.866 -0.012) 4.346 12.092 ( -0.234 -1.606 -2.436) 2.927 12.092 ( -0.234 1.606 -2.436) 2.927 12.331 ( 1.821 -5.665 -0.092) 5.952 12.331 ( 1.821 5.665 -0.092) 5.952 12.439 ( -7.394 -0.853 -3.885) 8.396 12.439 ( -7.394 0.853 -3.885) 8.396 12.579 ( 3.827 -2.208 3.933) 5.915 12.579 ( 3.827 2.208 3.933) 5.915 12.673 ( -3.138 -1.808 -6.957) 7.843 12.673 ( -3.138 1.808 -6.957) 7.843 13.067 ( -0.033 -5.691 6.586) 8.704 13.067 ( -0.033 5.691 6.586) 8.704 13.160 ( -0.734 -3.984 5.760) 7.042 13.160 ( -0.734 3.984 5.760) 7.042 13.275 ( -0.225 -5.414 -5.461) 7.693 13.275 ( -0.225 5.414 -5.461) 7.693 13.599 ( 4.165 -2.400 11.056) 12.056 13.599 ( 4.165 2.400 11.056) 12.056 13.709 ( -4.234 -5.323 7.351) 10.015 13.709 ( -4.234 5.323 7.351) 10.015 13.929 ( 0.674 -1.018 -0.902) 1.518 13.929 ( 0.674 1.018 -0.902) 1.518 14.064 ( 7.643 -4.295 2.395) 9.089 14.064 ( 7.643 4.295 2.395) 9.089 14.323 ( 0.197 -3.488 -0.078) 3.495 14.323 ( 0.197 3.488 -0.078) 3.495 14.586 ( 3.934 -1.406 3.166) 5.242 14.586 ( 3.934 1.406 3.166) 5.242 14.622 ( -1.428 -8.404 -2.524) 8.890 14.622 ( -1.428 8.404 -2.524) 8.890 14.868 ( -2.836 -4.956 1.816) 5.992 14.868 ( -2.836 4.956 1.816) 5.992 15.104 ( -2.264 -2.352 0.251) 3.274 15.104 ( -2.264 2.352 0.251) 3.274 15.194 ( 3.216 -3.555 1.062) 4.910 15.194 ( 3.216 3.555 1.062) 4.910 15.309 ( 0.623 -2.468 -1.554) 2.982 15.309 ( 0.623 2.468 -1.554) 2.982 15.531 ( 1.178 -5.669 -0.482) 5.810 15.531 ( 1.178 5.669 -0.482) 5.810 15.777 ( -4.012 -5.120 -1.485) 6.672 15.777 ( -4.012 5.120 -1.485) 6.672 16.043 ( -2.787 -1.123 -2.772) 4.088 16.043 ( -2.787 1.123 -2.772) 4.088 16.107 ( 1.237 -4.075 -3.398) 5.448 16.107 ( 1.237 4.075 -3.398) 5.448 16.255 ( 1.818 -2.737 2.393) 4.065 16.255 ( 1.818 2.737 2.393) 4.065 16.430 ( -1.553 -2.408 4.208) 5.090 16.430 ( -1.553 2.408 4.208) 5.090 16.582 ( -0.024 -1.565 2.699) 3.120 16.582 ( -0.024 1.565 2.699) 3.120 17.435 ( 1.933 -2.832 2.261) 4.108 17.435 ( 1.933 2.832 2.261) 4.108 17.823 ( 7.111 -7.547 -0.453) 10.379 17.823 ( 7.111 7.547 -0.453) 10.379 18.309 ( -1.626 -2.810 4.423) 5.487 18.309 ( -1.626 2.810 4.423) 5.487 18.645 ( 0.428 -1.651 -2.822) 3.297 18.645 ( 0.428 1.651 -2.822) 3.297 19.291 ( 5.061 -7.616 0.473) 9.157 19.291 ( 5.061 7.616 0.473) 9.157 19.883 ( 0.267 -3.589 2.296) 4.269 19.883 ( 0.267 3.589 2.296) 4.269 20.218 ( -5.257 -8.580 -6.294) 11.869 20.218 ( -5.257 8.580 -6.294) 11.869 20.744 ( 0.533 -1.523 4.629) 4.902 20.744 ( 0.533 1.523 4.629) 4.902 21.137 ( 2.331 -3.048 2.490) 4.574 21.137 ( 2.331 3.048 2.490) 4.574 21.336 ( -5.772 -6.278 1.283) 8.624 21.336 ( -5.772 6.278 1.283) 8.624 21.656 ( -1.533 -6.140 -2.932) 6.974 21.656 ( -1.533 6.140 -2.932) 6.974 22.247 ( 4.602 -5.003 -1.559) 6.975 22.247 ( 4.602 5.003 -1.559) 6.975 22.666 ( -2.653 -8.088 5.264) 10.008 22.666 ( -2.653 8.088 5.264) 10.008 22.984 ( 3.411 -9.238 -1.186) 9.919 22.984 ( 3.411 9.238 -1.186) 9.919 24.215 ( 3.588 -2.685 4.952) 6.679 24.215 ( 3.588 2.685 4.952) 6.679 24.583 ( -4.326 -2.383 -3.878) 6.279 24.583 ( -4.326 2.383 -3.878) 6.279 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 3.412 -5.715 -8.563) 10.846 1.910 ( 3.412 5.715 -8.563) 10.846 2.031 ( 7.032 -2.614 -4.352) 8.673 2.031 ( 7.032 2.614 -4.352) 8.673 2.143 ( 5.090 -3.340 -6.056) 8.587 2.143 ( 5.090 3.340 -6.056) 8.587 2.310 ( 0.519 -7.396 -0.760) 7.453 2.310 ( 0.519 7.396 -0.760) 7.453 2.447 ( -0.279 -1.396 2.214) 2.633 2.447 ( -0.279 1.396 2.214) 2.633 2.629 ( 0.647 -4.096 1.777) 4.511 2.629 ( 0.647 4.096 1.777) 4.511 2.883 ( -5.479 -3.117 -6.877) 9.329 2.883 ( -5.479 3.117 -6.877) 9.329 3.055 ( -0.427 -3.882 -0.655) 3.960 3.055 ( -0.427 3.882 -0.655) 3.960 3.231 ( -3.307 -5.145 4.557) 7.627 3.231 ( -3.307 5.145 4.557) 7.627 3.431 ( 3.588 -5.354 -1.373) 6.589 3.431 ( 3.588 5.354 -1.373) 6.589 3.590 ( -0.447 -1.387 -4.042) 4.297 3.590 ( -0.447 1.387 -4.042) 4.297 3.748 ( -1.905 -7.639 -2.268) 8.194 3.748 ( -1.905 7.639 -2.268) 8.194 3.812 ( -7.293 -1.417 -0.880) 7.481 3.812 ( -7.293 1.417 -0.880) 7.481 4.079 ( 11.753 -4.273 -1.259) 12.569 4.079 ( 11.753 4.273 -1.259) 12.569 4.140 ( 2.138 -3.053 -2.108) 4.282 4.140 ( 2.138 3.053 -2.108) 4.282 4.434 ( 11.890 -7.018 1.941) 13.942 4.434 ( 11.890 7.018 1.941) 13.942 4.853 ( 12.878 -8.105 -19.727) 24.913 4.853 ( 12.878 8.105 -19.727) 24.913 5.025 ( 5.360 -3.925 10.313) 12.268 5.025 ( 5.360 3.925 10.313) 12.268 5.221 ( 3.530 -4.922 6.184) 8.657 5.221 ( 3.530 4.922 6.184) 8.657 5.366 ( -5.175 -4.462 2.942) 7.440 5.366 ( -5.175 4.462 2.942) 7.440 5.574 ( 1.515 -5.298 3.530) 6.544 5.574 ( 1.515 5.298 3.530) 6.544 5.793 ( -3.651 -3.637 2.310) 5.648 5.793 ( -3.651 3.637 2.310) 5.648 5.913 ( 5.435 -4.657 0.521) 7.176 5.913 ( 5.435 4.657 0.521) 7.176 6.052 ( -1.214 -2.113 -0.869) 2.587 6.052 ( -1.214 2.113 -0.869) 2.587 6.178 ( -8.384 -2.447 2.259) 9.021 6.178 ( -8.384 2.447 2.259) 9.021 6.425 ( 0.611 -4.863 6.297) 7.979 6.425 ( 0.611 4.863 6.297) 7.979 6.509 ( -8.079 -3.175 -0.728) 8.711 6.509 ( -8.079 3.175 -0.728) 8.711 6.696 ( -5.510 -5.142 5.028) 9.061 6.696 ( -5.510 5.142 5.028) 9.061 6.837 ( -4.846 -9.880 6.549) 12.806 6.837 ( -4.846 9.880 6.549) 12.806 6.957 ( -3.007 -0.701 1.988) 3.672 6.957 ( -3.007 0.701 1.988) 3.672 7.184 ( -3.677 -8.507 3.040) 9.754 7.184 ( -3.677 8.507 3.040) 9.754 7.338 ( -2.831 -5.707 1.057) 6.458 7.338 ( -2.831 5.707 1.057) 6.458 7.402 ( 0.194 -1.074 0.588) 1.240 7.402 ( 0.194 1.074 0.588) 1.240 7.458 ( -1.209 -3.014 -0.760) 3.336 7.458 ( -1.209 3.014 -0.760) 3.336 7.656 ( -3.452 -7.343 -0.743) 8.148 7.656 ( -3.452 7.343 -0.743) 8.148 7.901 ( -1.735 -4.645 -0.261) 4.965 7.901 ( -1.735 4.645 -0.261) 4.965 8.079 ( -2.389 -1.601 2.485) 3.800 8.079 ( -2.389 1.601 2.485) 3.800 8.246 ( -2.572 -5.486 3.050) 6.784 8.246 ( -2.572 5.486 3.050) 6.784 8.320 ( 2.024 -5.382 -3.291) 6.625 8.320 ( 2.024 5.382 -3.291) 6.625 8.543 ( 1.782 -0.787 2.193) 2.933 8.543 ( 1.782 0.787 2.193) 2.933 8.682 ( 1.195 -2.185 1.723) 3.028 8.682 ( 1.195 2.185 1.723) 3.028 8.907 ( 2.233 -5.327 -4.560) 7.359 8.907 ( 2.233 5.327 -4.560) 7.359 9.108 ( 3.749 -3.866 2.400) 5.895 9.108 ( 3.749 3.866 2.400) 5.895 9.209 ( 0.486 -3.962 -2.137) 4.528 9.209 ( 0.486 3.962 -2.137) 4.528 9.308 ( -1.854 -0.857 -1.404) 2.478 9.308 ( -1.854 0.857 -1.404) 2.478 9.574 ( 9.143 -4.187 3.316) 10.589 9.574 ( 9.143 4.187 3.316) 10.589 9.817 ( -0.469 -2.548 -6.788) 7.266 9.817 ( -0.469 2.548 -6.788) 7.266 10.026 ( -4.925 -5.328 -2.072) 7.546 10.026 ( -4.925 5.328 -2.072) 7.546 10.128 ( -4.270 -7.643 -11.948) 14.812 10.128 ( -4.270 7.643 -11.948) 14.812 10.327 ( 3.735 -1.351 4.861) 6.277 10.327 ( 3.735 1.351 4.861) 6.277 10.456 ( 2.541 -0.481 -2.465) 3.573 10.456 ( 2.541 0.481 -2.465) 3.573 10.683 ( 3.995 -2.441 -0.609) 4.721 10.683 ( 3.995 2.441 -0.609) 4.721 10.909 ( -3.065 -2.081 -5.139) 6.335 10.909 ( -3.065 2.081 -5.139) 6.335 10.962 ( 5.602 -1.959 -9.419) 11.132 10.962 ( 5.602 1.959 -9.419) 11.132 11.122 ( -1.014 -7.379 3.570) 8.260 11.122 ( -1.014 7.379 3.570) 8.260 11.317 ( -1.933 -1.818 -0.250) 2.666 11.317 ( -1.933 1.818 -0.250) 2.666 11.524 ( 0.825 -2.547 -11.336) 11.648 11.524 ( 0.825 2.547 -11.336) 11.648 11.603 ( 2.380 -5.454 0.751) 5.998 11.603 ( 2.380 5.454 0.751) 5.998 11.719 ( -2.793 -0.650 1.530) 3.250 11.719 ( -2.793 0.650 1.530) 3.250 11.926 ( -6.642 -3.947 -0.489) 7.741 11.926 ( -6.642 3.947 -0.489) 7.741 12.051 ( -1.977 -1.156 -1.983) 3.029 12.051 ( -1.977 1.156 -1.983) 3.029 12.271 ( -3.615 -4.197 -3.612) 6.613 12.271 ( -3.615 4.197 -3.612) 6.613 12.324 ( -0.581 -5.024 -8.857) 10.199 12.324 ( -0.581 5.024 -8.857) 10.199 12.528 ( -1.981 -1.669 -2.957) 3.931 12.528 ( -1.981 1.669 -2.957) 3.931 12.727 ( 0.890 -6.513 6.462) 9.218 12.727 ( 0.890 6.513 6.462) 9.218 13.066 ( -1.989 -3.870 -2.879) 5.217 13.066 ( -1.989 3.870 -2.879) 5.217 13.162 ( -0.720 -2.459 -0.336) 2.584 13.162 ( -0.720 2.459 -0.336) 2.584 13.326 ( 4.321 -4.361 7.760) 9.894 13.326 ( 4.321 4.361 7.760) 9.894 13.680 ( -4.793 -2.991 5.879) 8.154 13.680 ( -4.793 2.991 5.879) 8.154 13.821 ( 0.978 -6.182 6.847) 9.276 13.821 ( 0.978 6.182 6.847) 9.276 13.970 ( 3.751 -5.679 2.099) 7.122 13.970 ( 3.751 5.679 2.099) 7.122 14.139 ( 0.545 -4.042 -0.231) 4.085 14.139 ( 0.545 4.042 -0.231) 4.085 14.356 ( 1.263 -3.717 0.067) 3.926 14.356 ( 1.263 3.717 0.067) 3.926 14.578 ( 0.174 -9.897 1.605) 10.027 14.578 ( 0.174 9.897 1.605) 10.027 14.690 ( 2.868 -6.158 2.606) 7.276 14.690 ( 2.868 6.158 2.606) 7.276 14.799 ( -5.443 -2.911 0.035) 6.172 14.799 ( -5.443 2.911 0.035) 6.172 15.103 ( 2.127 -4.286 2.029) 5.197 15.103 ( 2.127 4.286 2.029) 5.197 15.215 ( -0.600 -1.835 -3.568) 4.057 15.215 ( -0.600 1.835 -3.568) 4.057 15.306 ( 2.352 -4.398 -1.193) 5.128 15.306 ( 2.352 4.398 -1.193) 5.128 15.543 ( -0.411 -5.714 1.019) 5.819 15.543 ( -0.411 5.714 1.019) 5.819 15.715 ( -3.433 -3.676 -0.135) 5.032 15.715 ( -3.433 3.676 -0.135) 5.032 15.897 ( -4.831 -2.379 -6.106) 8.141 15.897 ( -4.831 2.379 -6.106) 8.141 16.133 ( 2.994 -6.495 -0.075) 7.152 16.133 ( 2.994 6.495 -0.075) 7.152 16.321 ( 1.613 -3.170 1.672) 3.930 16.321 ( 1.613 3.170 1.672) 3.930 16.449 ( -0.026 -3.583 2.274) 4.244 16.449 ( -0.026 3.583 2.274) 4.244 16.621 ( -0.731 -2.571 3.366) 4.298 16.621 ( -0.731 2.571 3.366) 4.298 17.528 ( 3.353 -1.116 4.600) 5.801 17.528 ( 3.353 1.116 4.600) 5.801 17.851 ( 1.466 -7.484 -5.151) 9.203 17.851 ( 1.466 7.484 -5.151) 9.203 18.359 ( -0.502 -2.613 5.900) 6.472 18.359 ( -0.502 2.613 5.900) 6.472 18.623 ( 0.373 -0.395 -1.772) 1.854 18.623 ( 0.373 0.395 -1.772) 1.854 19.393 ( 5.740 -9.049 2.856) 11.090 19.393 ( 5.740 9.049 2.856) 11.090 19.900 ( -1.986 -1.869 0.009) 2.727 19.900 ( -1.986 1.869 0.009) 2.727 20.166 ( 4.247 -8.244 1.294) 9.364 20.166 ( 4.247 8.244 1.294) 9.364 20.810 ( -0.797 -3.013 5.879) 6.654 20.810 ( -0.797 3.013 5.879) 6.654 21.208 ( 0.652 -5.580 0.804) 5.675 21.208 ( 0.652 5.580 0.804) 5.675 21.266 ( -2.917 -3.601 3.499) 5.807 21.266 ( -2.917 3.601 3.499) 5.807 21.620 ( 1.533 -8.941 -3.364) 9.675 21.620 ( 1.533 8.941 -3.364) 9.675 22.229 ( -2.233 -1.690 -3.645) 4.596 22.229 ( -2.233 1.690 -3.645) 4.596 22.696 ( -3.726 -8.751 5.353) 10.914 22.696 ( -3.726 8.751 5.353) 10.914 23.013 ( 4.616 -10.616 -2.496) 11.842 23.013 ( 4.616 10.616 -2.496) 11.842 24.299 ( -2.186 -4.163 3.099) 5.631 24.299 ( -2.186 4.163 3.099) 5.631 24.516 ( 1.734 -2.170 -0.584) 2.838 24.516 ( 1.734 2.170 -0.584) 2.838 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.778 -4.478 -3.329) 5.634 1.865 ( 0.778 4.478 -3.329) 5.634 2.064 ( 0.599 -0.627 -2.027) 2.205 2.064 ( 0.599 0.627 -2.027) 2.205 2.132 ( 4.765 -4.646 -4.722) 8.160 2.132 ( 4.765 4.646 -4.722) 8.160 2.322 ( 0.869 -7.226 -1.806) 7.498 2.322 ( 0.869 7.226 -1.806) 7.499 2.457 ( 0.207 -1.874 0.479) 1.945 2.457 ( 0.207 1.874 0.479) 1.945 2.621 ( 2.461 -2.714 -0.971) 3.790 2.621 ( 2.461 2.714 -0.971) 3.790 2.771 ( -3.406 -0.554 -0.357) 3.469 2.771 ( -3.406 0.554 -0.357) 3.469 2.939 ( -9.464 -5.561 -9.134) 14.281 2.939 ( -9.464 5.561 -9.134) 14.281 3.242 ( -3.200 -4.468 6.453) 8.476 3.242 ( -3.200 4.468 6.453) 8.476 3.394 ( -9.455 -2.747 -4.274) 10.734 3.394 ( -9.455 2.747 -4.274) 10.734 3.460 ( 3.037 -4.328 -1.144) 5.410 3.460 ( 3.037 4.328 -1.144) 5.410 3.685 ( -2.908 -1.711 -4.006) 5.238 3.685 ( -2.908 1.711 -4.006) 5.238 3.788 ( 3.622 -5.187 -0.942) 6.396 3.788 ( 3.622 5.187 -0.942) 6.396 4.101 ( -1.121 -4.518 -1.012) 4.764 4.101 ( -1.121 4.518 -1.012) 4.764 4.347 ( 12.173 -2.781 4.850) 13.396 4.347 ( 12.173 2.781 4.850) 13.396 4.601 ( 6.134 -5.999 -1.181) 8.661 4.601 ( 6.134 5.999 -1.181) 8.661 4.911 ( 16.756 -10.236 -4.471) 20.138 4.911 ( 16.756 10.236 -4.471) 20.138 5.169 ( 4.909 -4.845 1.070) 6.980 5.169 ( 4.909 4.845 1.070) 6.980 5.286 ( -0.796 -4.054 -1.130) 4.283 5.286 ( -0.796 4.054 -1.130) 4.283 5.424 ( -1.258 -5.112 4.698) 7.056 5.424 ( -1.258 5.112 4.698) 7.056 5.591 ( -12.025 -1.610 -0.266) 12.135 5.591 ( -12.025 1.610 -0.266) 12.135 5.671 ( -2.385 -6.588 9.080) 11.469 5.671 ( -2.385 6.588 9.080) 11.469 5.959 ( -0.975 -3.438 -1.791) 3.998 5.959 ( -0.975 3.438 -1.791) 3.998 6.058 ( 3.724 -6.259 -0.984) 7.349 6.058 ( 3.724 6.259 -0.984) 7.349 6.145 ( -3.290 -3.863 2.483) 5.650 6.145 ( -3.290 3.863 2.483) 5.650 6.298 ( -8.573 -0.333 -5.205) 10.035 6.298 ( -8.573 0.333 -5.205) 10.035 6.497 ( -0.808 -6.662 4.417) 8.033 6.497 ( -0.808 6.662 4.417) 8.033 6.755 ( 0.637 -3.056 2.461) 3.975 6.755 ( 0.637 3.056 2.461) 3.975 6.872 ( -4.844 -8.104 11.233) 14.674 6.872 ( -4.844 8.104 11.233) 14.674 7.013 ( 2.622 -1.634 6.515) 7.210 7.013 ( 2.622 1.634 6.515) 7.210 7.153 ( -3.680 -5.020 4.845) 7.887 7.153 ( -3.680 5.020 4.845) 7.887 7.373 ( 0.471 -4.841 -1.362) 5.050 7.373 ( 0.471 4.841 -1.362) 5.050 7.398 ( 0.059 -5.049 1.643) 5.310 7.398 ( 0.059 5.049 1.643) 5.310 7.502 ( 1.146 -7.636 8.579) 11.542 7.502 ( 1.146 7.636 8.579) 11.542 7.666 ( 4.835 -2.538 5.479) 7.736 7.666 ( 4.835 2.538 5.479) 7.736 7.879 ( 0.598 -1.088 -0.413) 1.308 7.879 ( 0.598 1.088 -0.413) 1.308 8.030 ( -3.830 -4.462 0.141) 5.882 8.030 ( -3.830 4.462 0.141) 5.882 8.241 ( -2.335 -6.157 -6.449) 9.217 8.241 ( -2.335 6.157 -6.449) 9.217 8.327 ( 3.713 -1.163 1.146) 4.056 8.327 ( 3.713 1.163 1.146) 4.056 8.594 ( 3.224 -0.885 1.757) 3.777 8.594 ( 3.224 0.885 1.757) 3.777 8.700 ( 1.710 -5.274 -5.407) 7.744 8.700 ( 1.710 5.274 -5.407) 7.744 8.814 ( -3.017 -7.299 -9.119) 12.064 8.814 ( -3.017 7.299 -9.119) 12.064 9.175 ( 2.415 -1.611 -3.919) 4.877 9.175 ( 2.415 1.611 -3.919) 4.877 9.205 ( 3.796 -6.110 2.165) 7.512 9.205 ( 3.796 6.110 2.165) 7.512 9.311 ( -0.316 -4.100 -0.284) 4.122 9.311 ( -0.316 4.100 -0.284) 4.122 9.611 ( -4.320 -2.976 -5.842) 7.852 9.611 ( -4.320 2.976 -5.842) 7.852 9.674 ( -0.269 -5.388 -7.637) 9.350 9.674 ( -0.269 5.388 -7.637) 9.350 9.923 ( -0.950 -5.522 -8.830) 10.457 9.923 ( -0.950 5.522 -8.830) 10.457 10.045 ( 3.249 -5.241 2.611) 6.696 10.045 ( 3.249 5.241 2.611) 6.696 10.374 ( 0.496 -5.359 1.533) 5.596 10.374 ( 0.496 5.359 1.533) 5.596 10.543 ( 1.382 -3.821 5.762) 7.051 10.543 ( 1.382 3.821 5.762) 7.051 10.685 ( -3.651 -5.319 -4.023) 7.603 10.685 ( -3.651 5.319 -4.023) 7.603 10.853 ( 0.289 -3.374 3.919) 5.180 10.853 ( 0.289 3.374 3.919) 5.180 11.003 ( 7.962 -1.561 -2.218) 8.411 11.003 ( 7.962 1.561 -2.218) 8.411 11.122 ( -2.443 -7.003 1.489) 7.565 11.122 ( -2.443 7.003 1.489) 7.565 11.294 ( -1.720 -2.248 -0.479) 2.871 11.294 ( -1.720 2.248 -0.479) 2.871 11.420 ( 1.870 -3.390 -4.746) 6.125 11.420 ( 1.870 3.390 -4.746) 6.125 11.637 ( -0.598 -3.695 -0.139) 3.745 11.637 ( -0.598 3.695 -0.139) 3.745 11.742 ( -1.756 -3.643 0.442) 4.068 11.742 ( -1.756 3.643 0.442) 4.068 11.765 ( -3.423 -6.101 -3.127) 7.663 11.765 ( -3.423 6.101 -3.127) 7.663 12.019 ( -2.236 -1.065 0.042) 2.477 12.019 ( -2.236 1.065 0.042) 2.477 12.156 ( -0.537 -2.724 -7.624) 8.114 12.156 ( -0.537 2.724 -7.624) 8.114 12.229 ( -1.719 -5.112 -2.698) 6.031 12.229 ( -1.719 5.112 -2.698) 6.031 12.450 ( -2.090 -0.833 -5.375) 5.826 12.450 ( -2.090 0.833 -5.375) 5.826 12.807 ( 1.626 -3.599 4.029) 5.641 12.807 ( 1.626 3.599 4.029) 5.641 12.975 ( -3.036 -1.444 -4.209) 5.387 12.975 ( -3.036 1.444 -4.209) 5.387 13.230 ( 3.828 -2.937 6.707) 8.262 13.230 ( 3.828 2.937 6.707) 8.262 13.469 ( 3.003 -2.210 1.991) 4.226 13.469 ( 3.003 2.210 1.991) 4.226 13.684 ( -3.821 -1.084 4.881) 6.293 13.684 ( -3.821 1.084 4.881) 6.293 13.825 ( -0.829 -6.041 -2.176) 6.474 13.825 ( -0.829 6.041 -2.176) 6.474 13.999 ( -2.644 -4.780 0.474) 5.484 13.999 ( -2.644 4.780 0.474) 5.484 14.186 ( 3.679 -3.366 3.695) 6.206 14.186 ( 3.679 3.366 3.695) 6.206 14.365 ( 1.727 -5.049 0.350) 5.348 14.365 ( 1.727 5.049 0.350) 5.348 14.550 ( -4.524 -7.327 -4.874) 9.895 14.550 ( -4.524 7.327 -4.874) 9.895 14.701 ( -0.137 -3.187 5.021) 5.949 14.701 ( -0.137 3.187 5.021) 5.949 14.879 ( 3.323 -1.719 5.844) 6.939 14.879 ( 3.323 1.719 5.844) 6.939 15.109 ( 0.765 -2.805 -7.034) 7.611 15.109 ( 0.765 2.805 -7.034) 7.611 15.189 ( 3.908 -1.305 -1.344) 4.334 15.189 ( 3.908 1.305 -1.344) 4.334 15.331 ( -1.466 -4.721 4.309) 6.558 15.331 ( -1.466 4.721 4.309) 6.558 15.545 ( -1.225 -3.615 0.343) 3.832 15.545 ( -1.225 3.615 0.343) 3.832 15.667 ( -1.639 -1.876 -0.138) 2.495 15.667 ( -1.639 1.876 -0.138) 2.495 15.788 ( -2.104 -1.857 -3.443) 4.442 15.788 ( -2.104 1.857 -3.443) 4.442 16.179 ( 2.185 -5.620 1.100) 6.129 16.179 ( 2.185 5.620 1.100) 6.129 16.304 ( -2.733 -1.054 -1.470) 3.277 16.304 ( -2.733 1.054 -1.470) 3.277 16.519 ( 4.205 -1.037 2.297) 4.902 16.519 ( 4.205 1.037 2.297) 4.902 16.629 ( -2.857 -5.476 2.123) 6.531 16.629 ( -2.858 5.476 2.123) 6.531 17.621 ( 2.717 -2.260 2.754) 4.480 17.621 ( 2.717 2.260 2.754) 4.480 17.767 ( -2.744 -5.803 -5.023) 8.151 17.767 ( -2.744 5.803 -5.023) 8.151 18.432 ( -0.279 -2.426 6.135) 6.603 18.432 ( -0.279 2.426 6.135) 6.603 18.604 ( 0.731 -1.147 -2.676) 3.001 18.604 ( 0.731 1.147 -2.676) 3.001 19.514 ( 4.687 -7.379 3.216) 9.314 19.514 ( 4.687 7.379 3.216) 9.314 19.836 ( -3.521 -1.441 -2.065) 4.329 19.836 ( -3.521 1.441 -2.065) 4.329 20.320 ( 6.378 -7.598 6.014) 11.601 20.320 ( 6.378 7.598 6.014) 11.601 20.841 ( -3.843 -6.207 3.967) 8.308 20.841 ( -3.843 6.207 3.967) 8.308 21.179 ( -0.865 -2.014 0.669) 2.291 21.179 ( -0.865 2.014 0.669) 2.291 21.344 ( 3.228 -1.808 1.795) 4.112 21.344 ( 3.228 1.808 1.795) 4.112 21.623 ( 2.854 -5.129 -1.006) 5.955 21.623 ( 2.854 5.129 -1.006) 5.955 22.111 ( -5.309 -0.602 -4.308) 6.864 22.111 ( -5.309 0.602 -4.308) 6.864 22.697 ( -2.863 -7.285 3.678) 8.649 22.697 ( -2.863 7.285 3.678) 8.649 23.056 ( 4.461 -8.492 -2.329) 9.871 23.056 ( 4.461 8.492 -2.329) 9.871 24.250 ( -3.654 -2.864 -0.357) 4.656 24.250 ( -3.654 2.864 -0.357) 4.656 24.587 ( 3.996 -0.584 1.606) 4.346 24.587 ( 3.996 0.584 1.606) 4.346 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -3.629 -0.776 0.666) 3.770 1.833 ( -3.629 0.776 0.666) 3.770 2.023 ( -4.577 -2.701 1.537) 5.532 2.023 ( -4.577 2.701 1.537) 5.532 2.092 ( -7.400 -4.201 -0.771) 8.544 2.092 ( -7.400 4.201 -0.771) 8.544 2.307 ( 1.779 -5.322 -0.126) 5.613 2.307 ( 1.779 5.322 -0.126) 5.613 2.475 ( -0.873 -1.074 -0.978) 1.695 2.475 ( -0.873 1.075 -0.978) 1.695 2.617 ( -8.153 -2.504 -0.919) 8.578 2.617 ( -8.153 2.504 -0.919) 8.578 2.752 ( 0.465 -1.958 1.621) 2.584 2.752 ( 0.465 1.958 1.621) 2.584 2.821 ( 13.553 -4.997 0.324) 14.449 2.821 ( 13.553 4.997 0.324) 14.449 3.249 ( -6.141 -3.848 6.402) 9.670 3.249 ( -6.141 3.848 6.402) 9.670 3.345 ( 3.863 -3.218 1.703) 5.309 3.345 ( 3.863 3.218 1.703) 5.309 3.459 ( -2.978 -2.896 -0.886) 4.247 3.459 ( -2.978 2.896 -0.886) 4.247 3.633 ( -0.438 -4.819 0.183) 4.843 3.633 ( -0.438 4.819 0.183) 4.843 3.794 ( 1.147 -1.760 -1.670) 2.684 3.794 ( 1.147 1.760 -1.670) 2.684 4.106 ( 2.889 -3.347 -1.480) 4.663 4.106 ( 2.889 3.347 -1.480) 4.663 4.438 ( -4.857 -0.740 -1.936) 5.281 4.438 ( -4.857 0.740 -1.936) 5.281 4.558 ( -7.833 -2.202 -0.487) 8.151 4.558 ( -7.833 2.202 -0.487) 8.151 4.852 ( -28.005 -16.448 1.136) 32.498 4.852 ( -28.005 16.448 1.136) 32.498 5.220 ( -0.447 -5.230 -1.227) 5.391 5.220 ( -0.447 5.230 -1.227) 5.391 5.286 ( 0.303 -2.277 -1.433) 2.708 5.286 ( 0.303 2.277 -1.433) 2.708 5.427 ( 17.956 -7.135 -0.117) 19.322 5.427 ( 17.956 7.135 -0.117) 19.322 5.587 ( -1.310 -1.943 1.783) 2.945 5.587 ( -1.310 1.943 1.783) 2.945 5.741 ( 3.240 -1.789 2.666) 4.561 5.741 ( 3.240 1.789 2.666) 4.561 5.936 ( -4.831 -0.495 1.192) 5.000 5.936 ( -4.831 0.495 1.192) 5.000 6.057 ( 2.686 -1.162 -3.505) 4.566 6.057 ( 2.686 1.162 -3.505) 4.566 6.153 ( 4.048 -2.475 1.054) 4.860 6.153 ( 4.048 2.475 1.054) 4.860 6.241 ( 1.230 -0.323 2.976) 3.237 6.241 ( 1.230 0.323 2.976) 3.237 6.529 ( -0.360 -7.347 2.340) 7.719 6.529 ( -0.360 7.347 2.340) 7.719 6.800 ( 3.745 -1.848 -1.231) 4.354 6.800 ( 3.745 1.848 -1.231) 4.354 6.955 ( -0.712 -3.927 10.705) 11.425 6.955 ( -0.712 3.927 10.705) 11.425 7.071 ( 3.958 -0.291 -6.114) 7.290 7.071 ( 3.958 0.291 -6.114) 7.290 7.207 ( 1.625 -1.541 2.270) 3.189 7.207 ( 1.625 1.541 2.270) 3.189 7.303 ( 1.346 -1.456 -2.553) 3.232 7.303 ( 1.346 1.456 -2.553) 3.232 7.426 ( -1.194 -1.106 -0.833) 1.828 7.426 ( -1.194 1.106 -0.833) 1.828 7.611 ( 4.633 -0.218 1.655) 4.925 7.611 ( 4.633 0.218 1.655) 4.925 7.759 ( -2.251 -0.765 1.294) 2.707 7.759 ( -2.251 0.765 1.294) 2.707 7.999 ( 2.538 -1.788 -1.449) 3.426 7.999 ( 2.538 1.788 -1.449) 3.426 8.057 ( -1.605 -1.825 3.788) 4.501 8.057 ( -1.605 1.825 3.788) 4.501 8.165 ( 5.878 -0.475 -0.923) 5.969 8.165 ( 5.878 0.475 -0.923) 5.969 8.342 ( -6.927 -9.174 -9.478) 14.899 8.342 ( -6.927 9.174 -9.478) 14.899 8.450 ( 7.227 -5.908 -2.051) 9.558 8.450 ( 7.227 5.908 -2.051) 9.558 8.655 ( 1.053 -0.939 -1.183) 1.842 8.655 ( 1.053 0.939 -1.183) 1.842 8.796 ( -0.069 -0.643 0.988) 1.181 8.796 ( -0.069 0.643 0.988) 1.181 9.148 ( -6.440 -5.606 -2.713) 8.959 9.148 ( -6.440 5.606 -2.713) 8.959 9.206 ( -0.635 -4.531 0.765) 4.639 9.206 ( -0.635 4.531 0.765) 4.639 9.302 ( -0.180 -2.739 0.807) 2.861 9.302 ( -0.180 2.739 0.807) 2.861 9.519 ( 1.648 -1.504 -0.640) 2.321 9.519 ( 1.648 1.504 -0.640) 2.321 9.635 ( 0.473 -2.424 -1.789) 3.050 9.635 ( 0.473 2.424 -1.789) 3.050 9.865 ( 1.460 -6.413 -1.596) 6.768 9.865 ( 1.460 6.413 -1.596) 6.768 10.089 ( 1.045 -5.558 -1.471) 5.843 10.089 ( 1.045 5.558 -1.471) 5.843 10.397 ( -0.318 -3.822 -0.707) 3.899 10.397 ( -0.318 3.822 -0.707) 3.899 10.576 ( -2.468 -5.980 0.398) 6.482 10.576 ( -2.468 5.980 0.398) 6.482 10.623 ( 2.210 -3.607 2.480) 4.903 10.623 ( 2.210 3.607 2.480) 4.903 10.901 ( -8.427 -1.474 6.114) 10.515 10.901 ( -8.427 1.474 6.114) 10.515 11.004 ( -5.505 -1.669 -1.236) 5.883 11.004 ( -5.505 1.669 -1.236) 5.883 11.155 ( 4.670 -2.199 -1.461) 5.364 11.155 ( 4.670 2.199 -1.461) 5.364 11.229 ( -2.527 -1.836 0.402) 3.150 11.229 ( -2.527 1.836 0.402) 3.150 11.404 ( -2.981 -2.164 -0.944) 3.803 11.404 ( -2.981 2.164 -0.944) 3.803 11.606 ( -1.121 -3.325 4.265) 5.523 11.606 ( -1.121 3.325 4.265) 5.523 11.724 ( 0.522 -6.493 -2.240) 6.888 11.724 ( 0.522 6.493 -2.240) 6.888 11.784 ( 7.508 -4.650 -2.749) 9.249 11.784 ( 7.508 4.650 -2.749) 9.249 11.986 ( -2.019 -0.740 1.919) 2.882 11.986 ( -2.019 0.740 1.919) 2.882 12.114 ( 1.418 -1.193 -1.508) 2.389 12.114 ( 1.418 1.193 -1.508) 2.389 12.220 ( 3.547 -1.117 -0.231) 3.725 12.220 ( 3.547 1.117 -0.231) 3.725 12.382 ( 0.989 -1.412 -1.562) 2.327 12.382 ( 0.989 1.412 -1.562) 2.327 12.843 ( -3.988 -1.142 1.553) 4.430 12.843 ( -3.988 1.142 1.553) 4.430 12.915 ( 0.682 -0.782 0.389) 1.109 12.915 ( 0.682 0.782 0.389) 1.109 13.374 ( 1.940 -0.779 -1.713) 2.702 13.374 ( 1.940 0.779 -1.713) 2.702 13.427 ( -0.291 -0.696 -0.805) 1.103 13.427 ( -0.291 0.696 -0.805) 1.103 13.680 ( -3.225 -1.017 5.046) 6.074 13.680 ( -3.225 1.017 5.046) 6.074 13.829 ( 0.292 -1.607 -1.307) 2.092 13.829 ( 0.292 1.607 -1.307) 2.092 13.986 ( 2.409 -4.420 1.501) 5.253 13.986 ( 2.409 4.420 1.501) 5.253 14.253 ( 1.857 -1.985 -1.908) 3.321 14.253 ( 1.857 1.985 -1.908) 3.321 14.395 ( -3.016 -6.484 -1.551) 7.317 14.395 ( -3.016 6.484 -1.551) 7.317 14.475 ( 5.439 -8.267 0.736) 9.923 14.475 ( 5.439 8.267 0.736) 9.923 14.753 ( -0.578 -2.315 2.360) 3.356 14.753 ( -0.578 2.315 2.360) 3.356 14.927 ( 0.435 -1.872 -0.616) 2.018 14.927 ( 0.435 1.872 -0.616) 2.018 15.077 ( -0.217 -0.293 -1.085) 1.145 15.077 ( -0.217 0.293 -1.085) 1.145 15.158 ( -2.452 -2.137 -3.489) 4.770 15.158 ( -2.452 2.137 -3.489) 4.770 15.389 ( 0.939 -0.512 2.076) 2.335 15.389 ( 0.939 0.512 2.076) 2.335 15.531 ( 1.721 -2.966 0.297) 3.442 15.531 ( 1.721 2.966 0.297) 3.442 15.669 ( 0.276 -2.549 -0.199) 2.572 15.669 ( 0.276 2.549 -0.199) 2.572 15.748 ( 0.253 -3.060 0.533) 3.116 15.748 ( 0.253 3.060 0.533) 3.116 16.200 ( -2.708 -2.690 -0.028) 3.817 16.200 ( -2.708 2.690 -0.028) 3.817 16.267 ( 1.107 -1.891 0.981) 2.401 16.267 ( 1.107 1.891 0.981) 2.401 16.542 ( -4.182 -4.232 -0.143) 5.951 16.542 ( -4.182 4.232 -0.143) 5.951 16.647 ( 3.782 -4.261 0.725) 5.743 16.647 ( 3.782 4.261 0.725) 5.743 17.649 ( -3.260 -2.616 -0.439) 4.203 17.649 ( -3.260 2.616 -0.439) 4.203 17.708 ( 1.406 -2.799 0.926) 3.267 17.708 ( 1.406 2.799 0.926) 3.267 18.483 ( -1.521 -1.541 2.848) 3.577 18.483 ( -1.521 1.541 2.848) 3.577 18.587 ( 2.314 -0.381 -2.641) 3.532 18.587 ( 2.314 0.381 -2.641) 3.532 19.564 ( -1.112 -1.108 -1.624) 2.259 19.564 ( -1.112 1.108 -1.624) 2.259 19.792 ( -0.482 -0.743 1.927) 2.121 19.792 ( -0.482 0.743 1.927) 2.121 20.387 ( -4.613 -2.614 -0.427) 5.319 20.387 ( -4.613 2.614 -0.427) 5.319 20.847 ( 0.290 -1.846 3.624) 4.077 20.847 ( 0.290 1.846 3.624) 4.077 21.200 ( 1.825 -1.985 -0.185) 2.703 21.200 ( 1.825 1.985 -0.185) 2.703 21.367 ( 1.779 -2.909 -2.828) 4.430 21.367 ( 1.779 2.909 -2.828) 4.430 21.636 ( -1.752 -1.181 -0.971) 2.326 21.636 ( -1.752 1.181 -0.971) 2.326 22.047 ( 1.110 -0.637 1.660) 2.096 22.047 ( 1.110 0.637 1.660) 2.096 22.716 ( 0.481 -4.198 2.199) 4.763 22.716 ( 0.481 4.198 2.199) 4.763 23.062 ( 0.787 -4.022 -3.336) 5.285 23.062 ( 0.787 4.022 -3.336) 5.285 24.230 ( 0.523 -0.494 1.573) 1.730 24.230 ( 0.523 0.494 1.573) 1.730 24.634 ( 2.889 -3.643 -2.914) 5.487 24.634 ( 2.889 3.643 -2.914) 5.487 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -9.488 -9.094 5.468) 14.234 1.767 ( -9.488 9.094 5.468) 14.234 1.924 ( -13.746 -5.112 7.679) 16.554 1.924 ( -13.746 5.112 7.679) 16.554 2.048 ( -0.497 -0.848 2.724) 2.896 2.048 ( -0.497 0.848 2.724) 2.896 2.292 ( -1.652 -7.013 0.475) 7.220 2.292 ( -1.652 7.013 0.475) 7.220 2.473 ( 1.446 -0.224 -0.372) 1.510 2.473 ( 1.446 0.224 -0.372) 1.510 2.624 ( 2.798 -5.322 1.915) 6.310 2.624 ( 2.798 5.322 1.915) 6.310 2.779 ( -0.288 -2.105 4.509) 4.985 2.779 ( -0.288 2.105 4.509) 4.985 3.008 ( 2.163 -9.887 3.627) 10.751 3.008 ( 2.163 9.887 3.627) 10.751 3.295 ( 1.462 -5.283 1.900) 5.801 3.295 ( 1.462 5.283 1.900) 5.801 3.389 ( -2.911 -3.420 1.314) 4.680 3.389 ( -2.911 3.420 1.314) 4.680 3.469 ( 4.660 -2.402 6.031) 7.991 3.469 ( 4.660 2.402 6.031) 7.991 3.648 ( -0.533 -2.722 6.283) 6.868 3.648 ( -0.533 2.722 6.283) 6.868 3.833 ( 5.969 -2.874 -2.032) 6.930 3.833 ( 5.969 2.874 -2.032) 6.930 4.049 ( -19.733 -9.905 -0.489) 22.085 4.049 ( -19.733 9.905 -0.489) 22.085 4.170 ( -5.154 -5.465 -3.645) 8.349 4.170 ( -5.154 5.465 -3.645) 8.349 4.439 ( -14.162 -1.716 4.645) 15.003 4.439 ( -14.162 1.716 4.645) 15.003 4.564 ( -13.735 -8.528 3.874) 16.624 4.564 ( -13.735 8.528 3.874) 16.624 5.139 ( -5.827 -9.387 -2.095) 11.246 5.139 ( -5.827 9.387 -2.095) 11.246 5.253 ( -3.104 -5.514 -3.780) 7.371 5.253 ( -3.104 5.514 -3.780) 7.371 5.469 ( 1.085 -2.459 -1.391) 3.026 5.469 ( 1.085 2.459 -1.391) 3.026 5.674 ( 2.702 -4.296 -4.617) 6.861 5.674 ( 2.702 4.296 -4.617) 6.861 5.817 ( 4.342 -3.636 0.133) 5.665 5.817 ( 4.342 3.636 0.133) 5.665 5.887 ( -2.815 -2.007 1.858) 3.925 5.887 ( -2.815 2.007 1.858) 3.925 6.078 ( 2.315 -1.702 -2.866) 4.059 6.078 ( 2.315 1.702 -2.866) 4.059 6.222 ( 4.928 -2.162 0.466) 5.401 6.222 ( 4.928 2.162 0.466) 5.401 6.393 ( 6.025 -4.022 7.311) 10.293 6.393 ( 6.025 4.022 7.311) 10.293 6.559 ( 4.735 -8.586 -1.113) 9.868 6.559 ( 4.735 8.586 -1.113) 9.868 6.837 ( 8.587 -3.809 -6.380) 11.356 6.837 ( 8.587 3.809 -6.380) 11.356 6.998 ( 0.552 -10.077 -10.437) 14.518 6.998 ( 0.552 10.077 -10.437) 14.518 7.042 ( 3.864 -2.390 -3.212) 5.565 7.042 ( 3.864 2.390 -3.212) 5.565 7.258 ( 7.191 -4.217 -2.535) 8.713 7.258 ( 7.191 4.217 -2.535) 8.713 7.349 ( -3.049 -0.187 0.273) 3.067 7.349 ( -3.049 0.187 0.273) 3.067 7.391 ( -0.467 -4.808 1.808) 5.158 7.391 ( -0.467 4.808 1.808) 5.158 7.516 ( -6.860 -6.825 -13.890) 16.928 7.516 ( -6.860 6.825 -13.890) 16.928 7.712 ( 4.908 -2.897 -6.207) 8.427 7.712 ( 4.909 2.897 -6.207) 8.427 7.846 ( 0.921 -0.792 2.320) 2.618 7.846 ( 0.921 0.792 2.320) 2.618 8.091 ( 0.424 -2.176 -0.538) 2.281 8.091 ( 0.424 2.176 -0.538) 2.281 8.262 ( 4.248 -4.041 3.152) 6.656 8.262 ( 4.248 4.041 3.152) 6.656 8.349 ( 7.437 -5.140 -1.249) 9.127 8.349 ( 7.437 5.140 -1.249) 9.127 8.559 ( -2.002 -1.993 -1.108) 3.034 8.559 ( -2.002 1.993 -1.108) 3.034 8.681 ( 2.009 -5.164 1.290) 5.689 8.681 ( 2.009 5.164 1.290) 5.689 8.805 ( 0.666 -4.934 3.999) 6.386 8.805 ( 0.666 4.934 3.999) 6.386 9.075 ( -3.853 -4.241 5.684) 8.071 9.075 ( -3.853 4.241 5.684) 8.071 9.191 ( -1.769 -4.256 -0.948) 4.706 9.191 ( -1.769 4.256 -0.948) 4.706 9.288 ( -1.594 -4.660 1.564) 5.168 9.288 ( -1.594 4.660 1.564) 5.168 9.599 ( -2.724 -2.630 7.640) 8.527 9.599 ( -2.724 2.630 7.640) 8.527 9.657 ( 3.286 -4.326 0.557) 5.461 9.657 ( 3.286 4.326 0.557) 5.461 9.854 ( -3.883 -7.251 4.204) 9.237 9.854 ( -3.883 7.251 4.204) 9.237 10.090 ( 5.144 -8.613 -3.007) 10.473 10.090 ( 5.144 8.613 -3.007) 10.473 10.374 ( 0.080 -4.003 0.211) 4.010 10.374 ( 0.080 4.003 0.211) 4.010 10.548 ( -2.744 -6.084 -4.311) 7.945 10.548 ( -2.744 6.084 -4.311) 7.945 10.687 ( -2.538 -1.976 2.393) 4.008 10.687 ( -2.538 1.976 2.393) 4.008 10.796 ( -6.049 -1.570 2.578) 6.760 10.796 ( -6.049 1.570 2.578) 6.760 10.867 ( -5.233 -2.163 -0.182) 5.666 10.867 ( -5.233 2.163 -0.182) 5.666 11.158 ( -1.953 -7.003 0.752) 7.309 11.158 ( -1.953 7.003 0.752) 7.309 11.308 ( 4.350 -4.072 5.214) 7.917 11.308 ( 4.350 4.072 5.214) 7.917 11.363 ( -2.199 -2.159 1.509) 3.432 11.363 ( -2.199 2.159 1.509) 3.432 11.595 ( -4.205 -6.099 1.353) 7.531 11.595 ( -4.205 6.099 1.353) 7.531 11.727 ( 1.946 -2.980 0.172) 3.563 11.727 ( 1.946 2.980 0.172) 3.563 11.906 ( 7.441 -1.751 1.503) 7.790 11.906 ( 7.441 1.751 1.503) 7.790 12.011 ( -0.431 -0.574 2.767) 2.858 12.011 ( -0.431 0.574 2.767) 2.858 12.136 ( 2.463 -3.884 2.257) 5.123 12.136 ( 2.463 3.884 2.257) 5.123 12.298 ( 6.608 -5.018 -1.141) 8.376 12.298 ( 6.608 5.018 -1.141) 8.376 12.455 ( 3.255 -1.461 5.239) 6.339 12.455 ( 3.255 1.461 5.239) 6.339 12.780 ( -3.962 -1.696 0.164) 4.313 12.780 ( -3.962 1.696 0.164) 4.313 12.973 ( 0.805 -1.031 5.706) 5.854 12.973 ( 0.805 1.031 5.706) 5.854 13.244 ( -1.044 -0.900 -8.428) 8.540 13.244 ( -1.044 0.900 -8.428) 8.540 13.434 ( -4.009 -4.386 -2.084) 6.297 13.434 ( -4.009 4.386 -2.084) 6.297 13.759 ( 3.952 -2.920 2.971) 5.742 13.759 ( 3.952 2.920 2.971) 5.742 13.814 ( 2.075 -3.608 0.412) 4.183 13.814 ( 2.075 3.608 0.412) 4.183 14.037 ( 0.155 -5.020 -2.197) 5.482 14.037 ( 0.155 5.020 -2.197) 5.482 14.204 ( 1.061 -1.899 -6.656) 7.003 14.204 ( 1.061 1.899 -6.656) 7.003 14.342 ( -0.828 -5.083 -0.284) 5.158 14.342 ( -0.828 5.083 -0.284) 5.158 14.590 ( 2.567 -9.249 1.841) 9.774 14.590 ( 2.567 9.249 1.841) 9.774 14.744 ( 2.748 -2.667 -3.160) 4.965 14.744 ( 2.748 2.667 -3.160) 4.965 14.883 ( -2.435 -0.529 -7.035) 7.463 14.883 ( -2.435 0.529 -7.035) 7.463 15.057 ( -0.460 -1.900 4.526) 4.930 15.057 ( -0.460 1.900 4.526) 4.930 15.122 ( -2.659 -2.999 3.509) 5.327 15.122 ( -2.659 2.999 3.509) 5.327 15.369 ( -0.175 -4.348 -4.934) 6.579 15.369 ( -0.175 4.348 -4.934) 6.579 15.575 ( 1.778 -6.756 -1.448) 7.134 15.575 ( 1.778 6.756 -1.448) 7.134 15.692 ( 2.168 -1.760 2.533) 3.770 15.692 ( 2.168 1.760 2.533) 3.770 15.801 ( 3.120 -5.129 3.512) 6.955 15.801 ( 3.120 5.129 3.512) 6.955 16.138 ( -3.943 -6.776 -0.327) 7.847 16.138 ( -3.943 6.776 -0.327) 7.847 16.318 ( 0.473 -0.645 2.059) 2.209 16.318 ( 0.473 0.645 2.059) 2.209 16.468 ( -3.161 -2.563 -0.480) 4.098 16.468 ( -3.161 2.563 -0.480) 4.098 16.689 ( 2.921 -5.302 -2.878) 6.703 16.689 ( 2.921 5.302 -2.878) 6.703 17.587 ( -3.289 -1.546 -1.167) 3.817 17.587 ( -3.289 1.546 -1.167) 3.817 17.757 ( -0.200 -4.688 3.870) 6.083 17.757 ( -0.200 4.688 3.870) 6.083 18.452 ( -2.013 -1.138 -2.565) 3.454 18.452 ( -2.013 1.138 -2.565) 3.454 18.609 ( 2.643 -2.541 -0.826) 3.759 18.609 ( 2.643 2.541 -0.826) 3.759 19.461 ( -6.001 -7.106 -4.281) 10.239 19.461 ( -6.001 7.106 -4.281) 10.239 19.853 ( 1.754 -1.085 4.422) 4.880 19.853 ( 1.754 1.085 4.422) 4.880 20.221 ( -10.478 -7.483 -3.983) 13.478 20.221 ( -10.478 7.483 -3.983) 13.478 20.895 ( 0.673 -5.826 -0.202) 5.868 20.895 ( 0.673 5.826 -0.202) 5.868 21.200 ( -0.230 -1.862 -1.454) 2.374 21.200 ( -0.230 1.862 -1.454) 2.374 21.366 ( 5.216 -10.099 -4.909) 12.380 21.366 ( 5.216 10.099 -4.909) 12.380 21.581 ( -2.102 -3.870 0.124) 4.406 21.581 ( -2.102 3.870 0.124) 4.406 22.137 ( 1.708 -2.541 5.622) 6.402 22.137 ( 1.708 2.541 5.622) 6.402 22.758 ( 2.236 -5.828 0.184) 6.245 22.758 ( 2.236 5.828 0.184) 6.245 23.010 ( -0.630 -0.934 -3.594) 3.766 23.010 ( -0.630 0.934 -3.594) 3.766 24.303 ( 4.851 -3.318 2.763) 6.494 24.303 ( 4.851 3.318 2.763) 6.494 24.589 ( 0.290 -6.487 -7.902) 10.228 24.589 ( 0.290 6.487 -7.902) 10.228 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -11.096 -10.044 11.905) 19.124 1.727 ( -11.096 10.044 11.905) 19.124 1.875 ( -7.303 -4.611 9.697) 12.986 1.875 ( -7.303 4.611 9.697) 12.986 2.068 ( -2.057 -1.061 2.341) 3.292 2.068 ( -2.057 1.061 2.341) 3.292 2.307 ( 0.495 -6.334 1.726) 6.583 2.307 ( 0.495 6.334 1.726) 6.583 2.465 ( -0.367 -1.756 -2.514) 3.088 2.465 ( -0.367 1.756 -2.514) 3.088 2.616 ( -2.525 -4.459 -2.173) 5.565 2.616 ( -2.525 4.459 -2.173) 5.565 2.853 ( -2.697 -5.308 6.459) 8.785 2.853 ( -2.697 5.308 6.459) 8.785 3.050 ( -0.890 -10.093 5.360) 11.463 3.050 ( -0.890 10.093 5.360) 11.463 3.230 ( -5.356 -3.371 -3.462) 7.214 3.230 ( -5.356 3.371 -3.462) 7.214 3.403 ( -0.278 -4.389 0.106) 4.399 3.403 ( -0.278 4.389 0.106) 4.399 3.534 ( -3.930 -3.871 2.969) 6.265 3.534 ( -3.930 3.871 2.969) 6.265 3.730 ( -3.223 -6.362 6.368) 9.561 3.730 ( -3.223 6.362 6.368) 9.561 3.858 ( -5.397 -5.721 4.716) 9.171 3.858 ( -5.397 5.721 4.716) 9.171 3.945 ( 4.460 -4.874 8.806) 11.009 3.945 ( 4.460 4.874 8.806) 11.009 4.143 ( 2.680 -2.620 -3.688) 5.258 4.143 ( 2.680 2.620 -3.688) 5.258 4.278 ( -8.880 -4.990 -0.135) 10.187 4.278 ( -8.880 4.990 -0.135) 10.187 4.492 ( -12.633 -7.118 17.184) 22.485 4.492 ( -12.633 7.118 17.184) 22.485 5.036 ( -1.752 -6.400 -4.915) 8.258 5.036 ( -1.752 6.400 -4.915) 8.258 5.168 ( -2.701 -3.718 1.088) 4.723 5.168 ( -2.701 3.718 1.088) 4.723 5.433 ( -3.289 -5.722 -5.519) 8.604 5.433 ( -3.289 5.722 -5.519) 8.604 5.625 ( 3.225 -6.068 -7.917) 10.483 5.625 ( 3.225 6.068 -7.917) 10.483 5.801 ( -3.679 -1.876 -5.399) 6.797 5.801 ( -3.679 1.876 -5.399) 6.797 5.882 ( 3.431 -3.386 1.428) 5.027 5.882 ( 3.431 3.386 1.428) 5.027 6.056 ( -2.441 -1.211 0.893) 2.867 6.056 ( -2.441 1.211 0.893) 2.867 6.316 ( 4.275 -3.532 0.211) 5.549 6.316 ( 4.275 3.532 0.211) 5.549 6.436 ( 1.214 -3.260 -1.792) 3.913 6.436 ( 1.214 3.260 -1.792) 3.913 6.653 ( 9.013 -6.375 -5.503) 12.336 6.653 ( 9.013 6.375 -5.503) 12.336 6.864 ( 6.802 -6.911 -7.346) 12.165 6.864 ( 6.802 6.911 -7.346) 12.165 6.905 ( 2.697 -9.324 -5.031) 10.933 6.905 ( 2.697 9.324 -5.031) 10.933 7.048 ( 5.088 -1.318 -4.522) 6.934 7.048 ( 5.088 1.318 -4.522) 6.934 7.217 ( 0.987 -13.740 2.013) 13.922 7.217 ( 0.987 13.740 2.013) 13.922 7.362 ( -2.466 -4.854 0.443) 5.463 7.362 ( -2.466 4.854 0.443) 5.463 7.385 ( 2.360 -5.994 -0.813) 6.493 7.385 ( 2.360 5.994 -0.813) 6.493 7.463 ( 0.588 -3.721 -0.505) 3.801 7.463 ( 0.588 3.721 -0.505) 3.801 7.754 ( 3.798 -3.043 -3.217) 5.834 7.754 ( 3.798 3.043 -3.217) 5.834 7.957 ( 7.635 -2.754 2.930) 8.629 7.957 ( 7.635 2.754 2.930) 8.629 8.092 ( 0.669 -2.535 2.772) 3.816 8.092 ( 0.669 2.535 2.772) 3.816 8.288 ( 0.235 -5.564 -7.775) 9.563 8.288 ( 0.235 5.564 -7.775) 9.563 8.342 ( 2.845 -9.594 1.856) 10.177 8.342 ( 2.845 9.594 1.856) 10.177 8.578 ( 2.316 -2.648 -6.868) 7.717 8.578 ( 2.316 2.648 -6.868) 7.717 8.682 ( -0.146 -3.055 -2.879) 4.200 8.682 ( -0.146 3.055 -2.879) 4.200 8.847 ( -0.984 -2.242 5.306) 5.843 8.847 ( -0.984 2.242 5.306) 5.843 9.064 ( -2.978 -5.180 -0.151) 5.977 9.064 ( -2.978 5.180 -0.151) 5.977 9.193 ( -0.404 -4.285 2.001) 4.746 9.193 ( -0.404 4.285 2.001) 4.746 9.364 ( 6.490 -4.457 5.729) 9.737 9.364 ( 6.490 4.457 5.729) 9.737 9.428 ( -11.419 -3.349 -9.653) 15.323 9.428 ( -11.419 3.349 -9.653) 15.323 9.764 ( -1.474 -1.241 12.870) 13.013 9.764 ( -1.474 1.241 12.870) 13.013 9.980 ( 0.378 -2.218 11.965) 12.174 9.980 ( 0.378 2.218 11.965) 12.174 10.173 ( 5.348 -2.922 2.971) 6.780 10.173 ( 5.348 2.922 2.971) 6.780 10.351 ( -0.214 -2.423 -6.858) 7.277 10.351 ( -0.214 2.423 -6.858) 7.277 10.449 ( 1.624 -2.085 -3.308) 4.234 10.449 ( 1.624 2.085 -3.308) 4.234 10.589 ( -6.436 -5.205 1.731) 8.456 10.589 ( -6.436 5.205 1.731) 8.456 10.814 ( -4.825 -1.412 6.870) 8.513 10.814 ( -4.825 1.412 6.870) 8.513 10.907 ( 0.884 -3.941 6.950) 8.038 10.907 ( 0.884 3.941 6.950) 8.038 11.142 ( 0.793 -3.632 -0.034) 3.717 11.142 ( 0.793 3.632 -0.034) 3.717 11.361 ( 1.492 -4.049 2.830) 5.160 11.361 ( 1.492 4.049 2.830) 5.160 11.440 ( -0.258 -6.363 4.506) 7.802 11.440 ( -0.258 6.363 4.506) 7.802 11.585 ( 0.503 -6.609 0.352) 6.637 11.585 ( 0.503 6.609 0.352) 6.637 11.784 ( 4.698 -0.825 3.865) 6.139 11.784 ( 4.698 0.825 3.865) 6.139 11.992 ( 1.395 -3.487 1.712) 4.128 11.992 ( 1.395 3.487 1.712) 4.128 12.018 ( -2.140 -2.297 2.736) 4.164 12.018 ( -2.140 2.297 2.736) 4.164 12.242 ( 1.526 -4.545 5.736) 7.476 12.242 ( 1.526 4.545 5.736) 7.476 12.383 ( 6.580 -1.549 0.750) 6.801 12.383 ( 6.580 1.549 0.750) 6.801 12.529 ( 0.456 -1.021 2.184) 2.453 12.529 ( 0.456 1.021 2.184) 2.453 12.729 ( -3.042 -3.630 -1.527) 4.976 12.729 ( -3.042 3.630 -1.527) 4.976 13.058 ( -0.885 -3.391 6.120) 7.053 13.058 ( -0.885 3.391 6.120) 7.053 13.202 ( 4.657 -3.427 -1.917) 6.091 13.202 ( 4.657 3.427 -1.917) 6.091 13.315 ( -3.104 -5.124 -5.911) 8.416 13.315 ( -3.104 5.124 -5.911) 8.416 13.785 ( 3.539 -0.828 -7.127) 8.000 13.785 ( 3.539 0.828 -7.127) 8.000 13.874 ( 1.644 -3.426 -6.372) 7.419 13.874 ( 1.644 3.426 -6.372) 7.419 13.918 ( -3.178 -4.755 -1.732) 5.976 13.918 ( -3.178 4.755 -1.732) 5.976 14.134 ( -3.441 -2.170 -4.786) 6.282 14.134 ( -3.441 2.170 -4.786) 6.282 14.341 ( -0.345 -1.554 -0.979) 1.869 14.341 ( -0.345 1.554 -0.979) 1.869 14.577 ( -0.979 -8.355 -0.002) 8.412 14.577 ( -0.979 8.355 -0.002) 8.412 14.678 ( -1.855 -5.198 -6.619) 8.618 14.678 ( -1.855 5.198 -6.619) 8.618 14.885 ( 4.395 -3.600 0.438) 5.698 14.885 ( 4.395 3.600 0.438) 5.698 15.079 ( -0.056 -3.817 2.065) 4.340 15.079 ( -0.056 3.817 2.065) 4.340 15.195 ( 1.011 -0.517 4.909) 5.039 15.195 ( 1.011 0.517 4.909) 5.039 15.293 ( -0.589 -6.120 -3.752) 7.203 15.293 ( -0.589 6.120 -3.752) 7.203 15.552 ( -1.097 -6.482 -2.536) 7.046 15.552 ( -1.097 6.482 -2.536) 7.046 15.748 ( 1.668 -5.524 2.102) 6.141 15.748 ( 1.668 5.524 2.102) 6.141 15.941 ( 6.371 -3.610 6.348) 9.692 15.941 ( 6.371 3.610 6.348) 9.692 16.080 ( -3.890 -5.751 0.313) 6.950 16.080 ( -3.890 5.751 0.313) 6.950 16.292 ( -2.629 -3.754 -1.441) 4.804 16.292 ( -2.629 3.754 -1.441) 4.804 16.469 ( 1.203 -2.962 0.455) 3.229 16.469 ( 1.203 2.962 0.455) 3.229 16.661 ( 0.902 -2.673 -5.401) 6.093 16.661 ( 0.902 2.673 -5.401) 6.093 17.507 ( -3.308 -0.924 -4.011) 5.281 17.507 ( -3.308 0.924 -4.011) 5.281 17.779 ( -3.762 -5.068 3.508) 7.221 17.779 ( -3.762 5.068 3.508) 7.221 18.384 ( -1.923 -2.073 -2.884) 4.039 18.384 ( -1.923 2.073 -2.884) 4.039 18.631 ( 2.433 -2.379 -1.474) 3.708 18.631 ( 2.433 2.379 -1.474) 3.708 19.316 ( -6.919 -7.419 -2.404) 10.426 19.316 ( -6.919 7.419 -2.404) 10.426 19.912 ( -0.079 -3.719 0.427) 3.744 19.912 ( -0.079 3.719 0.427) 3.744 20.093 ( -3.489 -6.152 4.950) 8.633 20.093 ( -3.489 6.152 4.950) 8.633 20.854 ( -0.131 -2.352 -5.434) 5.923 20.854 ( -0.131 2.352 -5.434) 5.923 21.163 ( -3.210 -3.536 -0.279) 4.784 21.163 ( -3.210 3.536 -0.279) 4.784 21.398 ( 7.442 -7.731 -5.372) 12.001 21.398 ( 7.442 7.731 -5.372) 12.001 21.607 ( 3.139 -4.258 2.142) 5.707 21.607 ( 3.139 4.258 2.142) 5.707 22.186 ( -4.438 -3.742 4.755) 7.504 22.186 ( -4.438 3.742 4.755) 7.504 22.748 ( -1.734 -8.990 -1.837) 9.338 22.748 ( -1.734 8.990 -1.837) 9.338 22.991 ( 3.000 -5.037 -3.260) 6.707 22.991 ( 3.000 5.037 -3.260) 6.707 24.351 ( -0.096 -3.275 -7.856) 8.512 24.351 ( -0.096 3.275 -7.856) 8.512 24.527 ( 4.131 -4.823 0.413) 6.363 24.527 ( 4.131 4.823 0.413) 6.363 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -6.713 -8.294 13.186) 16.963 1.738 ( -6.713 8.294 13.186) 16.963 1.947 ( -1.986 -7.643 11.211) 13.713 1.947 ( -1.986 7.643 11.211) 13.713 2.059 ( -1.554 -1.097 1.508) 2.427 2.059 ( -1.554 1.097 1.508) 2.427 2.294 ( -2.023 -4.838 -3.343) 6.219 2.294 ( -2.023 4.838 -3.343) 6.219 2.417 ( -1.601 -6.311 -0.810) 6.561 2.417 ( -1.601 6.311 -0.810) 6.561 2.548 ( -3.723 -2.793 -1.787) 4.986 2.548 ( -3.723 2.793 -1.787) 4.986 2.835 ( -4.710 -3.956 2.103) 6.501 2.835 ( -4.710 3.956 2.103) 6.501 2.979 ( -10.493 -1.621 -1.221) 10.688 2.979 ( -10.493 1.621 -1.221) 10.688 3.195 ( 1.444 -4.250 0.492) 4.516 3.195 ( 1.444 4.250 0.492) 4.516 3.413 ( 0.701 -2.536 -1.037) 2.829 3.413 ( 0.701 2.536 -1.037) 2.829 3.494 ( -4.403 -3.460 0.913) 5.673 3.494 ( -4.403 3.460 0.913) 5.673 3.720 ( -6.264 -3.399 2.990) 7.729 3.720 ( -6.264 3.399 2.990) 7.729 3.852 ( 1.639 -8.146 -0.627) 8.333 3.852 ( 1.639 8.146 -0.627) 8.333 4.065 ( -3.392 -7.107 6.354) 10.118 4.065 ( -3.392 7.107 6.354) 10.118 4.150 ( 2.478 -1.484 -2.409) 3.761 4.150 ( 2.478 1.484 -2.409) 3.761 4.239 ( 2.000 -4.525 4.404) 6.623 4.239 ( 2.000 4.525 4.404) 6.623 4.618 ( -7.088 -8.862 19.417) 22.490 4.618 ( -7.088 8.862 19.417) 22.490 5.041 ( 3.790 -3.094 3.014) 5.746 5.041 ( 3.790 3.094 3.014) 5.746 5.148 ( -1.491 -5.320 -1.602) 5.753 5.148 ( -1.491 5.320 -1.602) 5.753 5.294 ( -1.275 -4.758 -1.662) 5.199 5.294 ( -1.275 4.758 -1.662) 5.199 5.587 ( 3.511 -3.518 -4.615) 6.782 5.587 ( 3.511 3.518 -4.615) 6.782 5.736 ( -0.255 -3.491 -1.477) 3.799 5.736 ( -0.255 3.491 -1.477) 3.799 5.951 ( 2.440 -1.953 0.717) 3.207 5.951 ( 2.440 1.953 0.717) 3.207 6.031 ( -2.724 -0.404 2.392) 3.648 6.031 ( -2.724 0.404 2.392) 3.648 6.309 ( -2.456 -1.645 -0.291) 2.970 6.309 ( -2.456 1.645 -0.291) 2.970 6.508 ( 7.736 -8.226 -0.145) 11.293 6.508 ( 7.736 8.226 -0.145) 11.293 6.675 ( 4.867 -6.089 -5.745) 9.683 6.675 ( 4.867 6.089 -5.745) 9.683 6.832 ( -1.806 -6.994 -6.668) 9.831 6.832 ( -1.806 6.994 -6.668) 9.831 6.962 ( 7.597 -3.282 0.318) 8.282 6.962 ( 7.597 3.282 0.318) 8.282 7.096 ( 3.689 -3.375 -0.462) 5.021 7.096 ( 3.689 3.375 -0.462) 5.021 7.261 ( -4.832 -1.386 -0.830) 5.095 7.261 ( -4.832 1.386 -0.830) 5.095 7.310 ( 7.460 -5.443 -2.380) 9.536 7.310 ( 7.460 5.443 -2.380) 9.536 7.443 ( 2.525 -3.343 -0.076) 4.190 7.443 ( 2.525 3.343 -0.076) 4.190 7.471 ( 4.915 -6.105 -2.475) 8.219 7.471 ( 4.915 6.105 -2.475) 8.219 7.688 ( -2.786 -3.995 -4.459) 6.603 7.688 ( -2.786 3.995 -4.459) 6.603 7.992 ( -3.773 -2.011 -5.208) 6.738 7.992 ( -3.773 2.011 -5.208) 6.738 8.070 ( 0.149 -4.829 -5.097) 7.023 8.070 ( 0.149 4.829 -5.097) 7.023 8.325 ( -4.486 -5.421 0.525) 7.056 8.325 ( -4.486 5.421 0.525) 7.056 8.419 ( 6.792 -7.481 1.818) 10.266 8.419 ( 6.792 7.481 1.818) 10.266 8.548 ( -0.167 -3.491 0.290) 3.507 8.548 ( -0.167 3.491 0.290) 3.507 8.597 ( 1.542 -1.308 -0.143) 2.027 8.597 ( 1.542 1.308 -0.143) 2.027 8.886 ( 1.501 -2.255 0.726) 2.804 8.886 ( 1.501 2.255 0.726) 2.804 9.028 ( -1.289 -2.817 -1.311) 3.364 9.028 ( -1.289 2.817 -1.311) 3.364 9.160 ( -5.935 -2.579 -4.941) 8.142 9.160 ( -5.935 2.579 -4.941) 8.142 9.212 ( 0.389 -1.444 0.056) 1.496 9.212 ( 0.389 1.444 0.056) 1.496 9.555 ( 5.803 -5.830 3.054) 8.774 9.555 ( 5.803 5.830 3.054) 8.774 9.888 ( 0.095 -2.403 6.353) 6.792 9.888 ( 0.095 2.403 6.353) 6.792 10.079 ( 0.291 -3.910 3.332) 5.146 10.079 ( 0.291 3.910 3.332) 5.146 10.166 ( -1.627 -1.743 0.630) 2.466 10.166 ( -1.627 1.743 0.630) 2.466 10.371 ( -0.626 -2.214 -4.591) 5.135 10.371 ( -0.626 2.214 -4.591) 5.135 10.484 ( 5.394 -4.860 10.051) 12.399 10.484 ( 5.394 4.860 10.051) 12.399 10.633 ( 3.227 -2.346 7.159) 8.196 10.633 ( 3.227 2.346 7.159) 8.196 10.803 ( -4.607 -4.851 2.825) 7.263 10.803 ( -4.607 4.851 2.825) 7.263 10.990 ( -0.165 -4.523 5.492) 7.116 10.990 ( -0.165 4.523 5.492) 7.116 11.220 ( 2.646 -0.572 4.193) 4.991 11.220 ( 2.646 0.572 4.193) 4.991 11.407 ( 3.830 -3.702 -4.537) 6.997 11.407 ( 3.830 3.702 -4.537) 6.997 11.461 ( -3.749 -0.341 8.685) 9.466 11.461 ( -3.749 0.341 8.685) 9.466 11.580 ( 1.291 -6.714 -1.954) 7.111 11.580 ( 1.291 6.714 -1.954) 7.111 11.915 ( 1.638 -3.032 0.335) 3.463 11.915 ( 1.638 3.032 0.335) 3.463 12.008 ( 0.923 -1.066 0.385) 1.462 12.008 ( 0.923 1.066 0.385) 1.462 12.064 ( 1.971 -3.265 8.260) 9.098 12.064 ( 1.971 3.265 8.260) 9.098 12.277 ( -2.528 -4.337 2.120) 5.449 12.277 ( -2.528 4.337 2.120) 5.449 12.472 ( -1.545 -1.106 4.570) 4.949 12.472 ( -1.545 1.106 4.570) 4.949 12.567 ( 1.788 -3.818 -1.013) 4.336 12.567 ( 1.788 3.818 -1.013) 4.336 12.685 ( 1.766 -0.336 2.059) 2.733 12.685 ( 1.766 0.336 2.059) 2.733 13.060 ( -5.441 -2.646 1.514) 6.237 13.060 ( -5.441 2.646 1.514) 6.237 13.179 ( -3.280 -4.422 -4.784) 7.294 13.179 ( -3.280 4.422 -4.784) 7.294 13.325 ( 9.011 -3.753 -2.053) 9.975 13.325 ( 9.011 3.753 -2.053) 9.975 13.616 ( -3.491 -1.225 -11.971) 12.529 13.616 ( -3.491 1.225 -11.971) 12.529 13.804 ( 0.063 -2.034 -7.709) 7.973 13.804 ( 0.063 2.034 -7.709) 7.973 13.919 ( -1.268 -1.286 -0.199) 1.817 13.919 ( -1.268 1.286 -0.199) 1.817 14.000 ( -0.410 -2.753 -4.515) 5.304 14.000 ( -0.410 2.753 -4.515) 5.304 14.308 ( -2.639 -1.384 -0.202) 2.987 14.308 ( -2.639 1.384 -0.202) 2.987 14.567 ( -0.474 -3.474 -1.690) 3.892 14.567 ( -0.474 3.474 -1.690) 3.892 14.625 ( 0.040 -5.686 -0.822) 5.745 14.625 ( 0.040 5.686 -0.822) 5.745 14.906 ( 1.486 -3.317 -0.798) 3.721 14.906 ( 1.486 3.317 -0.798) 3.721 15.088 ( -3.263 -3.041 0.376) 4.476 15.088 ( -3.263 3.041 0.376) 4.476 15.171 ( -2.207 -0.853 -3.810) 4.485 15.171 ( -2.207 0.853 -3.810) 4.485 15.337 ( 4.084 -3.298 0.559) 5.279 15.337 ( 4.084 3.298 0.559) 5.279 15.504 ( -1.111 -5.292 1.283) 5.558 15.504 ( -1.111 5.292 1.283) 5.558 15.815 ( 2.545 -6.825 3.138) 7.931 15.815 ( 2.545 6.825 3.138) 7.931 16.023 ( -2.302 -3.352 -0.548) 4.103 16.023 ( -2.302 3.352 -0.548) 4.103 16.098 ( 1.917 -5.044 5.282) 7.551 16.098 ( 1.917 5.044 5.282) 7.551 16.251 ( -0.400 -1.168 -1.547) 1.979 16.251 ( -0.400 1.168 -1.547) 1.979 16.462 ( -0.693 -2.671 -2.359) 3.630 16.462 ( -0.693 2.671 -2.359) 3.630 16.609 ( 0.836 -0.902 -3.759) 3.955 16.609 ( 0.836 0.902 -3.759) 3.955 17.432 ( 0.068 -3.432 -1.399) 3.707 17.432 ( 0.068 3.432 -1.399) 3.707 17.718 ( -6.621 -4.523 -1.046) 8.087 17.718 ( -6.621 4.523 -1.046) 8.087 18.336 ( -1.360 -1.929 -0.865) 2.514 18.336 ( -1.360 1.929 -0.865) 2.514 18.651 ( 3.035 -1.608 -1.680) 3.824 18.651 ( 3.035 1.608 -1.680) 3.824 19.220 ( -4.174 -4.782 0.427) 6.362 19.220 ( -4.174 4.782 0.427) 6.362 19.890 ( -0.139 -4.193 -1.187) 4.360 19.890 ( -0.139 4.193 -1.187) 4.360 20.227 ( 3.986 -8.286 12.044) 15.153 20.227 ( 3.986 8.286 12.044) 15.153 20.778 ( -0.130 -3.761 -6.508) 7.518 20.778 ( -0.130 3.761 -6.508) 7.518 21.115 ( -1.570 -3.825 -1.167) 4.296 21.115 ( -1.570 3.825 -1.167) 4.296 21.416 ( 2.045 -8.609 -4.193) 9.791 21.416 ( 2.045 8.609 -4.193) 9.791 21.720 ( 8.725 -3.345 1.926) 9.540 21.720 ( 8.725 3.345 1.926) 9.540 22.118 ( -10.497 -4.023 2.059) 11.429 22.118 ( -10.497 4.023 2.059) 11.429 22.722 ( 1.956 -8.362 -0.813) 8.626 22.722 ( 1.956 8.362 -0.813) 8.626 22.957 ( -1.731 -5.907 -4.601) 7.685 22.957 ( -1.731 5.907 -4.601) 7.685 24.203 ( -3.197 -0.446 -6.873) 7.593 24.203 ( -3.197 0.446 -6.873) 7.593 24.645 ( 6.555 -1.572 1.418) 6.889 24.645 ( 6.555 1.572 1.418) 6.889 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51408 10.0 216.283 196.011 300.558 0.000 -21.404 0.000 3/51408 20.0 28.289 30.190 39.868 0.000 0.972 0.000 3/51408 30.0 10.849 11.248 14.957 0.000 0.644 0.000 3/51408 40.0 6.224 6.236 8.342 0.000 0.418 0.000 3/51408 50.0 4.288 4.185 5.629 0.000 0.304 0.000 3/51408 60.0 3.264 3.119 4.221 0.000 0.239 0.000 3/51408 70.0 2.640 2.480 3.377 0.000 0.199 0.000 3/51408 80.0 2.220 2.057 2.818 0.000 0.171 0.000 3/51408 90.0 1.919 1.757 2.421 0.000 0.150 0.000 3/51408 100.0 1.691 1.534 2.125 0.000 0.135 0.000 3/51408 110.0 1.512 1.361 1.895 0.000 0.122 0.000 3/51408 120.0 1.368 1.223 1.711 0.000 0.111 0.000 3/51408 130.0 1.249 1.111 1.561 0.000 0.103 0.000 3/51408 140.0 1.150 1.018 1.435 0.000 0.095 0.000 3/51408 150.0 1.066 0.940 1.329 0.000 0.089 0.000 3/51408 160.0 0.993 0.873 1.238 0.000 0.083 0.000 3/51408 170.0 0.930 0.815 1.159 0.000 0.078 0.000 3/51408 180.0 0.874 0.765 1.089 0.000 0.074 0.000 3/51408 190.0 0.825 0.720 1.028 0.000 0.070 0.000 3/51408 200.0 0.781 0.681 0.973 0.000 0.066 0.000 3/51408 210.0 0.742 0.646 0.924 0.000 0.063 0.000 3/51408 220.0 0.707 0.614 0.880 0.000 0.060 0.000 3/51408 230.0 0.675 0.586 0.840 0.000 0.058 0.000 3/51408 240.0 0.646 0.560 0.804 0.000 0.055 0.000 3/51408 250.0 0.619 0.536 0.770 0.000 0.053 0.000 3/51408 260.0 0.594 0.515 0.740 0.000 0.051 0.000 3/51408 270.0 0.572 0.495 0.712 0.000 0.049 0.000 3/51408 280.0 0.551 0.476 0.686 0.000 0.047 0.000 3/51408 290.0 0.532 0.459 0.661 0.000 0.046 0.000 3/51408 300.0 0.513 0.444 0.639 0.000 0.044 0.000 3/51408 310.0 0.497 0.429 0.618 0.000 0.043 0.000 3/51408 320.0 0.481 0.415 0.598 0.000 0.041 0.000 3/51408 330.0 0.466 0.402 0.580 0.000 0.040 0.000 3/51408 340.0 0.452 0.390 0.563 0.000 0.039 0.000 3/51408 350.0 0.439 0.379 0.546 0.000 0.038 0.000 3/51408 360.0 0.427 0.368 0.531 0.000 0.037 0.000 3/51408 370.0 0.415 0.358 0.517 0.000 0.036 0.000 3/51408 380.0 0.404 0.349 0.503 0.000 0.035 0.000 3/51408 390.0 0.394 0.339 0.490 0.000 0.034 0.000 3/51408 400.0 0.384 0.331 0.478 0.000 0.033 0.000 3/51408 410.0 0.375 0.323 0.466 0.000 0.032 0.000 3/51408 420.0 0.366 0.315 0.455 0.000 0.031 0.000 3/51408 430.0 0.357 0.308 0.444 0.000 0.031 0.000 3/51408 440.0 0.349 0.301 0.434 0.000 0.030 0.000 3/51408 450.0 0.341 0.294 0.424 0.000 0.029 0.000 3/51408 460.0 0.334 0.287 0.415 0.000 0.029 0.000 3/51408 470.0 0.327 0.281 0.406 0.000 0.028 0.000 3/51408 480.0 0.320 0.275 0.398 0.000 0.027 0.000 3/51408 490.0 0.313 0.270 0.390 0.000 0.027 0.000 3/51408 500.0 0.307 0.264 0.382 0.000 0.026 0.000 3/51408 510.0 0.301 0.259 0.374 0.000 0.026 0.000 3/51408 520.0 0.295 0.254 0.367 0.000 0.025 0.000 3/51408 530.0 0.290 0.249 0.360 0.000 0.025 0.000 3/51408 540.0 0.284 0.245 0.354 0.000 0.024 0.000 3/51408 550.0 0.279 0.240 0.347 0.000 0.024 0.000 3/51408 560.0 0.274 0.236 0.341 0.000 0.024 0.000 3/51408 570.0 0.269 0.232 0.335 0.000 0.023 0.000 3/51408 580.0 0.265 0.228 0.329 0.000 0.023 0.000 3/51408 590.0 0.260 0.224 0.324 0.000 0.022 0.000 3/51408 600.0 0.256 0.220 0.318 0.000 0.022 0.000 3/51408 610.0 0.252 0.217 0.313 0.000 0.022 0.000 3/51408 620.0 0.248 0.213 0.308 0.000 0.021 0.000 3/51408 630.0 0.244 0.210 0.303 0.000 0.021 0.000 3/51408 640.0 0.240 0.207 0.298 0.000 0.021 0.000 3/51408 650.0 0.236 0.203 0.294 0.000 0.020 0.000 3/51408 660.0 0.233 0.200 0.289 0.000 0.020 0.000 3/51408 670.0 0.229 0.197 0.285 0.000 0.020 0.000 3/51408 680.0 0.226 0.194 0.281 0.000 0.019 0.000 3/51408 690.0 0.223 0.192 0.277 0.000 0.019 0.000 3/51408 700.0 0.220 0.189 0.273 0.000 0.019 0.000 3/51408 710.0 0.216 0.186 0.269 0.000 0.019 0.000 3/51408 720.0 0.213 0.184 0.265 0.000 0.018 0.000 3/51408 730.0 0.211 0.181 0.262 0.000 0.018 0.000 3/51408 740.0 0.208 0.179 0.258 0.000 0.018 0.000 3/51408 750.0 0.205 0.176 0.255 0.000 0.018 0.000 3/51408 760.0 0.202 0.174 0.251 0.000 0.017 0.000 3/51408 770.0 0.200 0.172 0.248 0.000 0.017 0.000 3/51408 780.0 0.197 0.170 0.245 0.000 0.017 0.000 3/51408 790.0 0.195 0.167 0.242 0.000 0.017 0.000 3/51408 800.0 0.192 0.165 0.239 0.000 0.016 0.000 3/51408 810.0 0.190 0.163 0.236 0.000 0.016 0.000 3/51408 820.0 0.187 0.161 0.233 0.000 0.016 0.000 3/51408 830.0 0.185 0.159 0.230 0.000 0.016 0.000 3/51408 840.0 0.183 0.157 0.227 0.000 0.016 0.000 3/51408 850.0 0.181 0.156 0.225 0.000 0.016 0.000 3/51408 860.0 0.179 0.154 0.222 0.000 0.015 0.000 3/51408 870.0 0.177 0.152 0.220 0.000 0.015 0.000 3/51408 880.0 0.175 0.150 0.217 0.000 0.015 0.000 3/51408 890.0 0.173 0.149 0.215 0.000 0.015 0.000 3/51408 900.0 0.171 0.147 0.212 0.000 0.015 0.000 3/51408 910.0 0.169 0.145 0.210 0.000 0.014 0.000 3/51408 920.0 0.167 0.144 0.208 0.000 0.014 0.000 3/51408 930.0 0.165 0.142 0.206 0.000 0.014 0.000 3/51408 940.0 0.164 0.141 0.203 0.000 0.014 0.000 3/51408 950.0 0.162 0.139 0.201 0.000 0.014 0.000 3/51408 960.0 0.160 0.138 0.199 0.000 0.014 0.000 3/51408 970.0 0.159 0.136 0.197 0.000 0.014 0.000 3/51408 980.0 0.157 0.135 0.195 0.000 0.013 0.000 3/51408 990.0 0.155 0.134 0.193 0.000 0.013 0.000 3/51408 1000.0 0.154 0.132 0.191 0.000 0.013 0.000 3/51408 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:03:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|