----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:18:34]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.297504635065353 -2.614542600000000 0.000000000000000 b 6.297504635065353 2.614542600000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): *1 O 0.86308449382290 0.13691550617710 0.75000000000000 15.999 2 O 0.13691550617710 0.86308449382290 0.25000000000000 15.999 *3 O 0.90584165842221 0.79159523986583 0.82617107674605 15.999 4 O 0.20840476013417 0.09415834157779 0.67382892325395 15.999 5 O 0.09415834157779 0.20840476013417 0.17382892325395 15.999 6 O 0.79159523986583 0.90584165842221 0.32617107674605 15.999 *7 O 0.56544040795418 0.38482423211714 0.89804238928401 15.999 8 O 0.61517576788286 0.43455959204582 0.60195761071599 15.999 9 O 0.43455959204582 0.61517576788286 0.10195761071599 15.999 10 O 0.38482423211714 0.56544040795418 0.39804238928401 15.999 *11 O 0.19152915435346 0.95071460321436 0.95231922662161 15.999 12 O 0.04928539678564 0.80847084564654 0.54768077337839 15.999 *13 O 0.18146285116987 0.32073853118025 0.36885618699288 15.999 14 O 0.67926146881975 0.81853714883013 0.13114381300712 15.999 15 O 0.81853714883013 0.67926146881975 0.63114381300712 15.999 16 O 0.32073853118025 0.18146285116987 0.86885618699288 15.999 *17 O 0.66697866427922 0.74789649138324 0.44231856281245 15.999 18 O 0.25210350861676 0.33302133572078 0.05768143718755 15.999 19 O 0.33302133572078 0.25210350861676 0.55768143718755 15.999 20 O 0.74789649138324 0.66697866427922 0.94231856281245 15.999 21 O 0.95071460321436 0.19152915435346 0.45231922662161 15.999 22 O 0.80847084564654 0.04928539678564 0.04768077337839 15.999 *23 Te 0.84980819240443 0.39584318260431 0.70392150587812 127.600 24 Te 0.60415681739569 0.15019180759557 0.79607849412188 127.600 25 Te 0.15019180759557 0.60415681739569 0.29607849412188 127.600 26 Te 0.39584318260431 0.84980819240443 0.20392150587812 127.600 *27 Te 0.41055121083994 0.84425254520904 0.86964641523892 127.600 28 Te 0.15574745479096 0.58944878916006 0.63035358476108 127.600 29 Te 0.58944878916006 0.15574745479096 0.13035358476108 127.600 30 Te 0.84425254520904 0.41055121083994 0.36964641523892 127.600 *31 Pr 0.37419960537355 0.86203155535564 0.53765946952654 140.908 32 Pr 0.13796844464436 0.62580039462645 0.96234053047346 140.908 33 Pr 0.62580039462645 0.13796844464436 0.46234053047346 140.908 34 Pr 0.86203155535564 0.37419960537355 0.03765946952654 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.595009270130706 0.000000000000000 0.000000000000000 b 0.000000000000000 5.229085200000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): *1 O 0.00000000000000 0.13691550617710 0.75000000000000 15.999 > 1 2 O 0.00000000000000 0.86308449382290 0.25000000000000 15.999 > 2 *3 O 0.34871844914402 0.44287679072181 0.82617107674605 15.999 > 3 4 O 0.15128155085598 0.94287679072181 0.67382892325395 15.999 > 4 5 O 0.65128155085598 0.55712320927819 0.17382892325395 15.999 > 5 6 O 0.84871844914402 0.05712320927819 0.32617107674605 15.999 > 6 *7 O 0.97513232003566 0.40969191208148 0.89804238928401 15.999 > 7 8 O 0.02486767996434 0.40969191208148 0.60195761071599 15.999 > 8 9 O 0.02486767996434 0.59030808791852 0.10195761071599 15.999 > 9 10 O 0.97513232003566 0.59030808791852 0.39804238928401 15.999 > 10 *11 O 0.07112187878391 0.87959272443045 0.95231922662161 15.999 > 11 12 O 0.92887812121609 0.87959272443045 0.54768077337839 15.999 > 12 *13 O 0.75110069117506 0.56963784000519 0.36885618699288 15.999 > 13 14 O 0.74889930882494 0.06963784000519 0.13114381300712 15.999 > 14 15 O 0.24889930882494 0.43036215999481 0.63114381300712 15.999 > 15 16 O 0.25110069117506 0.93036215999481 0.86885618699288 15.999 > 16 *17 O 0.20743757783123 0.54045891355201 0.44231856281245 15.999 > 17 18 O 0.79256242216877 0.54045891355201 0.05768143718755 15.999 > 18 19 O 0.79256242216877 0.45954108644799 0.55768143718755 15.999 > 19 20 O 0.20743757783123 0.45954108644799 0.94231856281245 15.999 > 20 21 O 0.07112187878391 0.12040727556955 0.45231922662161 15.999 > 21 22 O 0.92887812121609 0.12040727556955 0.04768077337839 15.999 > 22 23 O 0.50000000000000 0.63691550617710 0.75000000000000 15.999 > 1 24 O 0.50000000000000 0.36308449382290 0.25000000000000 15.999 > 2 25 O 0.84871844914402 0.94287679072181 0.82617107674605 15.999 > 3 26 O 0.65128155085598 0.44287679072181 0.67382892325395 15.999 > 4 27 O 0.15128155085598 0.05712320927819 0.17382892325395 15.999 > 5 28 O 0.34871844914402 0.55712320927819 0.32617107674605 15.999 > 6 29 O 0.47513232003566 0.90969191208148 0.89804238928401 15.999 > 7 30 O 0.52486767996434 0.90969191208148 0.60195761071599 15.999 > 8 31 O 0.52486767996434 0.09030808791852 0.10195761071599 15.999 > 9 32 O 0.47513232003566 0.09030808791852 0.39804238928401 15.999 > 10 33 O 0.57112187878391 0.37959272443045 0.95231922662161 15.999 > 11 34 O 0.42887812121609 0.37959272443045 0.54768077337839 15.999 > 12 35 O 0.25110069117506 0.06963784000519 0.36885618699288 15.999 > 13 36 O 0.24889930882494 0.56963784000519 0.13114381300712 15.999 > 14 37 O 0.74889930882494 0.93036215999481 0.63114381300712 15.999 > 15 38 O 0.75110069117506 0.43036215999481 0.86885618699288 15.999 > 16 39 O 0.70743757783123 0.04045891355201 0.44231856281245 15.999 > 17 40 O 0.29256242216877 0.04045891355201 0.05768143718755 15.999 > 18 41 O 0.29256242216877 0.95954108644799 0.55768143718755 15.999 > 19 42 O 0.70743757783123 0.95954108644799 0.94231856281245 15.999 > 20 43 O 0.57112187878391 0.62040727556955 0.45231922662161 15.999 > 21 44 O 0.42887812121609 0.62040727556955 0.04768077337839 15.999 > 22 *45 Te 0.12282568750437 0.27301749509994 0.70392150587812 127.600 > 23 46 Te 0.37717431249563 0.77301749509994 0.79607849412188 127.600 > 24 47 Te 0.87717431249563 0.72698250490006 0.29607849412188 127.600 > 25 48 Te 0.62282568750437 0.22698250490006 0.20392150587812 127.600 > 26 *49 Te 0.12740187802449 0.71685066718455 0.86964641523892 127.600 > 27 50 Te 0.87259812197551 0.71685066718455 0.63035358476108 127.600 > 28 51 Te 0.87259812197551 0.28314933281545 0.13035358476108 127.600 > 29 52 Te 0.12740187802449 0.28314933281545 0.36964641523892 127.600 > 30 53 Te 0.62282568750437 0.77301749509994 0.70392150587812 127.600 > 23 54 Te 0.87717431249563 0.27301749509994 0.79607849412188 127.600 > 24 55 Te 0.37717431249563 0.22698250490006 0.29607849412188 127.600 > 25 56 Te 0.12282568750437 0.72698250490006 0.20392150587812 127.600 > 26 57 Te 0.62740187802449 0.21685066718455 0.86964641523892 127.600 > 27 58 Te 0.37259812197551 0.21685066718455 0.63035358476108 127.600 > 28 59 Te 0.37259812197551 0.78314933281545 0.13035358476108 127.600 > 29 60 Te 0.62740187802449 0.78314933281545 0.36964641523892 127.600 > 30 *61 Pr 0.11811558036459 0.74391597499105 0.53765946952654 140.908 > 31 62 Pr 0.38188441963541 0.24391597499105 0.96234053047346 140.908 > 32 63 Pr 0.88188441963541 0.25608402500895 0.46234053047346 140.908 > 33 64 Pr 0.61811558036459 0.75608402500895 0.03765946952654 140.908 > 34 65 Pr 0.61811558036459 0.24391597499105 0.53765946952654 140.908 > 31 66 Pr 0.88188441963541 0.74391597499105 0.96234053047346 140.908 > 32 67 Pr 0.38188441963541 0.75608402500895 0.46234053047346 140.908 > 33 68 Pr 0.11811558036459 0.25608402500895 0.03765946952654 140.908 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.595009270130706 0.000000000000000 0.000000000000000 b 0.000000000000000 10.458170400000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): *1 O 0.00000000000000 0.06845775308855 0.75000000000000 15.999 > 1 2 O 0.00000000000000 0.56845775308855 0.75000000000000 15.999 > 1 3 O 0.00000000000000 0.43154224691145 0.25000000000000 15.999 > 2 4 O 0.00000000000000 0.93154224691145 0.25000000000000 15.999 > 2 *5 O 0.34871844914402 0.22143839536090 0.82617107674605 15.999 > 3 6 O 0.34871844914402 0.72143839536090 0.82617107674605 15.999 > 3 7 O 0.15128155085598 0.47143839536090 0.67382892325395 15.999 > 4 8 O 0.15128155085598 0.97143839536090 0.67382892325395 15.999 > 4 9 O 0.65128155085598 0.27856160463910 0.17382892325395 15.999 > 5 10 O 0.65128155085598 0.77856160463910 0.17382892325395 15.999 > 5 11 O 0.84871844914402 0.02856160463910 0.32617107674605 15.999 > 6 12 O 0.84871844914402 0.52856160463910 0.32617107674605 15.999 > 6 *13 O 0.97513232003566 0.20484595604074 0.89804238928401 15.999 > 7 14 O 0.97513232003566 0.70484595604074 0.89804238928401 15.999 > 7 15 O 0.02486767996434 0.20484595604074 0.60195761071599 15.999 > 8 16 O 0.02486767996434 0.70484595604074 0.60195761071599 15.999 > 8 17 O 0.02486767996434 0.29515404395926 0.10195761071599 15.999 > 9 18 O 0.02486767996434 0.79515404395926 0.10195761071599 15.999 > 9 19 O 0.97513232003566 0.29515404395926 0.39804238928401 15.999 > 10 20 O 0.97513232003566 0.79515404395926 0.39804238928401 15.999 > 10 *21 O 0.07112187878391 0.43979636221523 0.95231922662161 15.999 > 11 22 O 0.07112187878391 0.93979636221523 0.95231922662161 15.999 > 11 23 O 0.92887812121609 0.43979636221523 0.54768077337839 15.999 > 12 24 O 0.92887812121609 0.93979636221523 0.54768077337839 15.999 > 12 *25 O 0.75110069117506 0.28481892000260 0.36885618699288 15.999 > 13 26 O 0.75110069117506 0.78481892000260 0.36885618699288 15.999 > 13 27 O 0.74889930882494 0.03481892000260 0.13114381300712 15.999 > 14 28 O 0.74889930882494 0.53481892000260 0.13114381300712 15.999 > 14 29 O 0.24889930882494 0.21518107999740 0.63114381300712 15.999 > 15 30 O 0.24889930882494 0.71518107999740 0.63114381300712 15.999 > 15 31 O 0.25110069117506 0.46518107999740 0.86885618699288 15.999 > 16 32 O 0.25110069117506 0.96518107999740 0.86885618699288 15.999 > 16 *33 O 0.20743757783123 0.27022945677601 0.44231856281245 15.999 > 17 34 O 0.20743757783123 0.77022945677601 0.44231856281245 15.999 > 17 35 O 0.79256242216877 0.27022945677601 0.05768143718755 15.999 > 18 36 O 0.79256242216877 0.77022945677601 0.05768143718755 15.999 > 18 37 O 0.79256242216877 0.22977054322399 0.55768143718755 15.999 > 19 38 O 0.79256242216877 0.72977054322399 0.55768143718755 15.999 > 19 39 O 0.20743757783123 0.22977054322399 0.94231856281245 15.999 > 20 40 O 0.20743757783123 0.72977054322399 0.94231856281245 15.999 > 20 41 O 0.07112187878391 0.06020363778477 0.45231922662161 15.999 > 21 42 O 0.07112187878391 0.56020363778477 0.45231922662161 15.999 > 21 43 O 0.92887812121609 0.06020363778477 0.04768077337839 15.999 > 22 44 O 0.92887812121609 0.56020363778477 0.04768077337839 15.999 > 22 45 O 0.50000000000000 0.31845775308855 0.75000000000000 15.999 > 1 46 O 0.50000000000000 0.81845775308855 0.75000000000000 15.999 > 1 47 O 0.50000000000000 0.18154224691145 0.25000000000000 15.999 > 2 48 O 0.50000000000000 0.68154224691145 0.25000000000000 15.999 > 2 49 O 0.84871844914402 0.47143839536090 0.82617107674605 15.999 > 3 50 O 0.84871844914402 0.97143839536090 0.82617107674605 15.999 > 3 51 O 0.65128155085598 0.22143839536090 0.67382892325395 15.999 > 4 52 O 0.65128155085598 0.72143839536090 0.67382892325395 15.999 > 4 53 O 0.15128155085598 0.02856160463910 0.17382892325395 15.999 > 5 54 O 0.15128155085598 0.52856160463910 0.17382892325395 15.999 > 5 55 O 0.34871844914402 0.27856160463910 0.32617107674605 15.999 > 6 56 O 0.34871844914402 0.77856160463910 0.32617107674605 15.999 > 6 57 O 0.47513232003566 0.45484595604074 0.89804238928401 15.999 > 7 58 O 0.47513232003566 0.95484595604074 0.89804238928401 15.999 > 7 59 O 0.52486767996434 0.45484595604074 0.60195761071599 15.999 > 8 60 O 0.52486767996434 0.95484595604074 0.60195761071599 15.999 > 8 61 O 0.52486767996434 0.04515404395926 0.10195761071599 15.999 > 9 62 O 0.52486767996434 0.54515404395926 0.10195761071599 15.999 > 9 63 O 0.47513232003566 0.04515404395926 0.39804238928401 15.999 > 10 64 O 0.47513232003566 0.54515404395926 0.39804238928401 15.999 > 10 65 O 0.57112187878391 0.18979636221523 0.95231922662161 15.999 > 11 66 O 0.57112187878391 0.68979636221523 0.95231922662161 15.999 > 11 67 O 0.42887812121609 0.18979636221523 0.54768077337839 15.999 > 12 68 O 0.42887812121609 0.68979636221523 0.54768077337839 15.999 > 12 69 O 0.25110069117506 0.03481892000260 0.36885618699288 15.999 > 13 70 O 0.25110069117506 0.53481892000260 0.36885618699288 15.999 > 13 71 O 0.24889930882494 0.28481892000260 0.13114381300712 15.999 > 14 72 O 0.24889930882494 0.78481892000260 0.13114381300712 15.999 > 14 73 O 0.74889930882494 0.46518107999740 0.63114381300712 15.999 > 15 74 O 0.74889930882494 0.96518107999740 0.63114381300712 15.999 > 15 75 O 0.75110069117506 0.21518107999740 0.86885618699288 15.999 > 16 76 O 0.75110069117506 0.71518107999740 0.86885618699288 15.999 > 16 77 O 0.70743757783123 0.02022945677601 0.44231856281245 15.999 > 17 78 O 0.70743757783123 0.52022945677601 0.44231856281245 15.999 > 17 79 O 0.29256242216877 0.02022945677601 0.05768143718755 15.999 > 18 80 O 0.29256242216877 0.52022945677601 0.05768143718755 15.999 > 18 81 O 0.29256242216877 0.47977054322399 0.55768143718755 15.999 > 19 82 O 0.29256242216877 0.97977054322399 0.55768143718755 15.999 > 19 83 O 0.70743757783123 0.47977054322399 0.94231856281245 15.999 > 20 84 O 0.70743757783123 0.97977054322399 0.94231856281245 15.999 > 20 85 O 0.57112187878391 0.31020363778477 0.45231922662161 15.999 > 21 86 O 0.57112187878391 0.81020363778477 0.45231922662161 15.999 > 21 87 O 0.42887812121609 0.31020363778477 0.04768077337839 15.999 > 22 88 O 0.42887812121609 0.81020363778477 0.04768077337839 15.999 > 22 *89 Te 0.12282568750437 0.13650874754997 0.70392150587812 127.600 > 23 90 Te 0.12282568750437 0.63650874754997 0.70392150587812 127.600 > 23 91 Te 0.37717431249563 0.38650874754997 0.79607849412188 127.600 > 24 92 Te 0.37717431249563 0.88650874754997 0.79607849412188 127.600 > 24 93 Te 0.87717431249563 0.36349125245003 0.29607849412188 127.600 > 25 94 Te 0.87717431249563 0.86349125245003 0.29607849412188 127.600 > 25 95 Te 0.62282568750437 0.11349125245003 0.20392150587812 127.600 > 26 96 Te 0.62282568750437 0.61349125245003 0.20392150587812 127.600 > 26 *97 Te 0.12740187802449 0.35842533359228 0.86964641523892 127.600 > 27 98 Te 0.12740187802449 0.85842533359228 0.86964641523892 127.600 > 27 99 Te 0.87259812197551 0.35842533359228 0.63035358476108 127.600 > 28 100 Te 0.87259812197551 0.85842533359228 0.63035358476108 127.600 > 28 101 Te 0.87259812197551 0.14157466640772 0.13035358476108 127.600 > 29 102 Te 0.87259812197551 0.64157466640772 0.13035358476108 127.600 > 29 103 Te 0.12740187802449 0.14157466640772 0.36964641523892 127.600 > 30 104 Te 0.12740187802449 0.64157466640772 0.36964641523892 127.600 > 30 105 Te 0.62282568750437 0.38650874754997 0.70392150587812 127.600 > 23 106 Te 0.62282568750437 0.88650874754997 0.70392150587812 127.600 > 23 107 Te 0.87717431249563 0.13650874754997 0.79607849412188 127.600 > 24 108 Te 0.87717431249563 0.63650874754997 0.79607849412188 127.600 > 24 109 Te 0.37717431249563 0.11349125245003 0.29607849412188 127.600 > 25 110 Te 0.37717431249563 0.61349125245003 0.29607849412188 127.600 > 25 111 Te 0.12282568750437 0.36349125245003 0.20392150587812 127.600 > 26 112 Te 0.12282568750437 0.86349125245003 0.20392150587812 127.600 > 26 113 Te 0.62740187802449 0.10842533359228 0.86964641523892 127.600 > 27 114 Te 0.62740187802449 0.60842533359228 0.86964641523892 127.600 > 27 115 Te 0.37259812197551 0.10842533359228 0.63035358476108 127.600 > 28 116 Te 0.37259812197551 0.60842533359228 0.63035358476108 127.600 > 28 117 Te 0.37259812197551 0.39157466640772 0.13035358476108 127.600 > 29 118 Te 0.37259812197551 0.89157466640772 0.13035358476108 127.600 > 29 119 Te 0.62740187802449 0.39157466640772 0.36964641523892 127.600 > 30 120 Te 0.62740187802449 0.89157466640772 0.36964641523892 127.600 > 30 *121 Pr 0.11811558036459 0.37195798749552 0.53765946952654 140.908 > 31 122 Pr 0.11811558036459 0.87195798749552 0.53765946952654 140.908 > 31 123 Pr 0.38188441963541 0.12195798749552 0.96234053047346 140.908 > 32 124 Pr 0.38188441963541 0.62195798749552 0.96234053047346 140.908 > 32 125 Pr 0.88188441963541 0.12804201250448 0.46234053047346 140.908 > 33 126 Pr 0.88188441963541 0.62804201250448 0.46234053047346 140.908 > 33 127 Pr 0.61811558036459 0.37804201250448 0.03765946952654 140.908 > 34 128 Pr 0.61811558036459 0.87804201250448 0.03765946952654 140.908 > 34 129 Pr 0.61811558036459 0.12195798749552 0.53765946952654 140.908 > 31 130 Pr 0.61811558036459 0.62195798749552 0.53765946952654 140.908 > 31 131 Pr 0.88188441963541 0.37195798749552 0.96234053047346 140.908 > 32 132 Pr 0.88188441963541 0.87195798749552 0.96234053047346 140.908 > 32 133 Pr 0.38188441963541 0.37804201250448 0.46234053047346 140.908 > 33 134 Pr 0.38188441963541 0.87804201250448 0.46234053047346 140.908 > 33 135 Pr 0.11811558036459 0.12804201250448 0.03765946952654 140.908 > 34 136 Pr 0.11811558036459 0.62804201250448 0.03765946952654 140.908 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3073938 0.0000000 -0.5299367 0.0000000 4.8018269 0.0000000 -0.5299337 0.0000000 4.5755073 -------------------------- Born effective charges -------------------------- 1 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 2 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 3 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 4 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 5 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 6 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 7 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 8 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 9 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 10 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 11 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 12 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 13 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 14 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 15 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 16 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 17 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 18 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 19 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 20 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 21 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 22 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 23 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 24 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 25 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 26 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 27 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 28 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 29 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 30 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 31 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 32 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 33 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 34 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 ---------------------------------------------------------------------------- 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: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (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: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), 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, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.534 Solver_block: 200 / 1040 - Time: 1.353 Solver_block: 300 / 1040 - Time: 1.356 Solver_block: 400 / 1040 - Time: 1.359 Solver_block: 500 / 1040 - Time: 1.358 Solver_block: 600 / 1040 - Time: 1.359 Solver_block: 700 / 1040 - Time: 1.358 Solver_block: 800 / 1040 - Time: 1.359 Solver_block: 900 / 1040 - Time: 1.359 Solver_block: 1000 / 1040 - Time: 1.357 Solver_block: 1040 / 1040 - Time: 0.693 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.873 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (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: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), 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, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-07 19:19:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:19:43]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.297504635065353 -2.614542600000000 0.000000000000000 b 6.297504635065353 2.614542600000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): 1 O 0.86308449382290 0.13691550617710 0.75000000000000 15.999 2 O 0.13691550617710 0.86308449382290 0.25000000000000 15.999 3 O 0.90584165842221 0.79159523986583 0.82617107674605 15.999 4 O 0.20840476013417 0.09415834157779 0.67382892325395 15.999 5 O 0.09415834157779 0.20840476013417 0.17382892325395 15.999 6 O 0.79159523986583 0.90584165842221 0.32617107674605 15.999 7 O 0.56544040795418 0.38482423211714 0.89804238928401 15.999 8 O 0.61517576788286 0.43455959204582 0.60195761071599 15.999 9 O 0.43455959204582 0.61517576788286 0.10195761071599 15.999 10 O 0.38482423211714 0.56544040795418 0.39804238928401 15.999 11 O 0.19152915435346 0.95071460321436 0.95231922662161 15.999 12 O 0.04928539678564 0.80847084564654 0.54768077337839 15.999 13 O 0.18146285116987 0.32073853118025 0.36885618699288 15.999 14 O 0.67926146881975 0.81853714883013 0.13114381300712 15.999 15 O 0.81853714883013 0.67926146881975 0.63114381300712 15.999 16 O 0.32073853118025 0.18146285116987 0.86885618699288 15.999 17 O 0.66697866427922 0.74789649138324 0.44231856281245 15.999 18 O 0.25210350861676 0.33302133572078 0.05768143718755 15.999 19 O 0.33302133572078 0.25210350861676 0.55768143718755 15.999 20 O 0.74789649138324 0.66697866427922 0.94231856281245 15.999 21 O 0.95071460321436 0.19152915435346 0.45231922662161 15.999 22 O 0.80847084564654 0.04928539678564 0.04768077337839 15.999 23 Te 0.84980819240443 0.39584318260431 0.70392150587812 127.600 24 Te 0.60415681739569 0.15019180759557 0.79607849412188 127.600 25 Te 0.15019180759557 0.60415681739569 0.29607849412188 127.600 26 Te 0.39584318260431 0.84980819240443 0.20392150587812 127.600 27 Te 0.41055121083994 0.84425254520904 0.86964641523892 127.600 28 Te 0.15574745479096 0.58944878916006 0.63035358476108 127.600 29 Te 0.58944878916006 0.15574745479096 0.13035358476108 127.600 30 Te 0.84425254520904 0.41055121083994 0.36964641523892 127.600 31 Pr 0.37419960537355 0.86203155535564 0.53765946952654 140.908 32 Pr 0.13796844464436 0.62580039462645 0.96234053047346 140.908 33 Pr 0.62580039462645 0.13796844464436 0.46234053047346 140.908 34 Pr 0.86203155535564 0.37419960537355 0.03765946952654 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.595009270130706 0.000000000000000 0.000000000000000 b 0.000000000000000 10.458170400000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): 1 O 0.00000000000000 0.06845775308855 0.75000000000000 15.999 > 1 2 O 0.00000000000000 0.56845775308855 0.75000000000000 15.999 > 1 3 O 0.00000000000000 0.43154224691145 0.25000000000000 15.999 > 3 4 O 0.00000000000000 0.93154224691145 0.25000000000000 15.999 > 3 5 O 0.34871844914402 0.22143839536090 0.82617107674605 15.999 > 5 6 O 0.34871844914402 0.72143839536090 0.82617107674605 15.999 > 5 7 O 0.15128155085598 0.47143839536090 0.67382892325395 15.999 > 7 8 O 0.15128155085598 0.97143839536090 0.67382892325395 15.999 > 7 9 O 0.65128155085598 0.27856160463910 0.17382892325395 15.999 > 9 10 O 0.65128155085598 0.77856160463910 0.17382892325395 15.999 > 9 11 O 0.84871844914402 0.02856160463910 0.32617107674605 15.999 > 11 12 O 0.84871844914402 0.52856160463910 0.32617107674605 15.999 > 11 13 O 0.97513232003566 0.20484595604074 0.89804238928401 15.999 > 13 14 O 0.97513232003566 0.70484595604074 0.89804238928401 15.999 > 13 15 O 0.02486767996434 0.20484595604074 0.60195761071599 15.999 > 15 16 O 0.02486767996434 0.70484595604074 0.60195761071599 15.999 > 15 17 O 0.02486767996434 0.29515404395926 0.10195761071599 15.999 > 17 18 O 0.02486767996434 0.79515404395926 0.10195761071599 15.999 > 17 19 O 0.97513232003566 0.29515404395926 0.39804238928401 15.999 > 19 20 O 0.97513232003566 0.79515404395926 0.39804238928401 15.999 > 19 21 O 0.07112187878391 0.43979636221523 0.95231922662161 15.999 > 21 22 O 0.07112187878391 0.93979636221523 0.95231922662161 15.999 > 21 23 O 0.92887812121609 0.43979636221523 0.54768077337839 15.999 > 23 24 O 0.92887812121609 0.93979636221523 0.54768077337839 15.999 > 23 25 O 0.75110069117506 0.28481892000260 0.36885618699288 15.999 > 25 26 O 0.75110069117506 0.78481892000260 0.36885618699288 15.999 > 25 27 O 0.74889930882494 0.03481892000260 0.13114381300712 15.999 > 27 28 O 0.74889930882494 0.53481892000260 0.13114381300712 15.999 > 27 29 O 0.24889930882494 0.21518107999740 0.63114381300712 15.999 > 29 30 O 0.24889930882494 0.71518107999740 0.63114381300712 15.999 > 29 31 O 0.25110069117506 0.46518107999740 0.86885618699288 15.999 > 31 32 O 0.25110069117506 0.96518107999740 0.86885618699288 15.999 > 31 33 O 0.20743757783123 0.27022945677601 0.44231856281245 15.999 > 33 34 O 0.20743757783123 0.77022945677601 0.44231856281245 15.999 > 33 35 O 0.79256242216877 0.27022945677601 0.05768143718755 15.999 > 35 36 O 0.79256242216877 0.77022945677601 0.05768143718755 15.999 > 35 37 O 0.79256242216877 0.22977054322399 0.55768143718755 15.999 > 37 38 O 0.79256242216877 0.72977054322399 0.55768143718755 15.999 > 37 39 O 0.20743757783123 0.22977054322399 0.94231856281245 15.999 > 39 40 O 0.20743757783123 0.72977054322399 0.94231856281245 15.999 > 39 41 O 0.07112187878391 0.06020363778477 0.45231922662161 15.999 > 41 42 O 0.07112187878391 0.56020363778477 0.45231922662161 15.999 > 41 43 O 0.92887812121609 0.06020363778477 0.04768077337839 15.999 > 43 44 O 0.92887812121609 0.56020363778477 0.04768077337839 15.999 > 43 45 O 0.50000000000000 0.31845775308855 0.75000000000000 15.999 > 1 46 O 0.50000000000000 0.81845775308855 0.75000000000000 15.999 > 1 47 O 0.50000000000000 0.18154224691145 0.25000000000000 15.999 > 3 48 O 0.50000000000000 0.68154224691145 0.25000000000000 15.999 > 3 49 O 0.84871844914402 0.47143839536090 0.82617107674605 15.999 > 5 50 O 0.84871844914402 0.97143839536090 0.82617107674605 15.999 > 5 51 O 0.65128155085598 0.22143839536090 0.67382892325395 15.999 > 7 52 O 0.65128155085598 0.72143839536090 0.67382892325395 15.999 > 7 53 O 0.15128155085598 0.02856160463910 0.17382892325395 15.999 > 9 54 O 0.15128155085598 0.52856160463910 0.17382892325395 15.999 > 9 55 O 0.34871844914402 0.27856160463910 0.32617107674605 15.999 > 11 56 O 0.34871844914402 0.77856160463910 0.32617107674605 15.999 > 11 57 O 0.47513232003566 0.45484595604074 0.89804238928401 15.999 > 13 58 O 0.47513232003566 0.95484595604074 0.89804238928401 15.999 > 13 59 O 0.52486767996434 0.45484595604074 0.60195761071599 15.999 > 15 60 O 0.52486767996434 0.95484595604074 0.60195761071599 15.999 > 15 61 O 0.52486767996434 0.04515404395926 0.10195761071599 15.999 > 17 62 O 0.52486767996434 0.54515404395926 0.10195761071599 15.999 > 17 63 O 0.47513232003566 0.04515404395926 0.39804238928401 15.999 > 19 64 O 0.47513232003566 0.54515404395926 0.39804238928401 15.999 > 19 65 O 0.57112187878391 0.18979636221523 0.95231922662161 15.999 > 21 66 O 0.57112187878391 0.68979636221523 0.95231922662161 15.999 > 21 67 O 0.42887812121609 0.18979636221523 0.54768077337839 15.999 > 23 68 O 0.42887812121609 0.68979636221523 0.54768077337839 15.999 > 23 69 O 0.25110069117506 0.03481892000260 0.36885618699288 15.999 > 25 70 O 0.25110069117506 0.53481892000260 0.36885618699288 15.999 > 25 71 O 0.24889930882494 0.28481892000260 0.13114381300712 15.999 > 27 72 O 0.24889930882494 0.78481892000260 0.13114381300712 15.999 > 27 73 O 0.74889930882494 0.46518107999740 0.63114381300712 15.999 > 29 74 O 0.74889930882494 0.96518107999740 0.63114381300712 15.999 > 29 75 O 0.75110069117506 0.21518107999740 0.86885618699288 15.999 > 31 76 O 0.75110069117506 0.71518107999740 0.86885618699288 15.999 > 31 77 O 0.70743757783123 0.02022945677601 0.44231856281245 15.999 > 33 78 O 0.70743757783123 0.52022945677601 0.44231856281245 15.999 > 33 79 O 0.29256242216877 0.02022945677601 0.05768143718755 15.999 > 35 80 O 0.29256242216877 0.52022945677601 0.05768143718755 15.999 > 35 81 O 0.29256242216877 0.47977054322399 0.55768143718755 15.999 > 37 82 O 0.29256242216877 0.97977054322399 0.55768143718755 15.999 > 37 83 O 0.70743757783123 0.47977054322399 0.94231856281245 15.999 > 39 84 O 0.70743757783123 0.97977054322399 0.94231856281245 15.999 > 39 85 O 0.57112187878391 0.31020363778477 0.45231922662161 15.999 > 41 86 O 0.57112187878391 0.81020363778477 0.45231922662161 15.999 > 41 87 O 0.42887812121609 0.31020363778477 0.04768077337839 15.999 > 43 88 O 0.42887812121609 0.81020363778477 0.04768077337839 15.999 > 43 89 Te 0.12282568750437 0.13650874754997 0.70392150587812 127.600 > 89 90 Te 0.12282568750437 0.63650874754997 0.70392150587812 127.600 > 89 91 Te 0.37717431249563 0.38650874754997 0.79607849412188 127.600 > 91 92 Te 0.37717431249563 0.88650874754997 0.79607849412188 127.600 > 91 93 Te 0.87717431249563 0.36349125245003 0.29607849412188 127.600 > 93 94 Te 0.87717431249563 0.86349125245003 0.29607849412188 127.600 > 93 95 Te 0.62282568750437 0.11349125245003 0.20392150587812 127.600 > 95 96 Te 0.62282568750437 0.61349125245003 0.20392150587812 127.600 > 95 97 Te 0.12740187802449 0.35842533359228 0.86964641523892 127.600 > 97 98 Te 0.12740187802449 0.85842533359228 0.86964641523892 127.600 > 97 99 Te 0.87259812197551 0.35842533359228 0.63035358476108 127.600 > 99 100 Te 0.87259812197551 0.85842533359228 0.63035358476108 127.600 > 99 101 Te 0.87259812197551 0.14157466640772 0.13035358476108 127.600 > 101 102 Te 0.87259812197551 0.64157466640772 0.13035358476108 127.600 > 101 103 Te 0.12740187802449 0.14157466640772 0.36964641523892 127.600 > 103 104 Te 0.12740187802449 0.64157466640772 0.36964641523892 127.600 > 103 105 Te 0.62282568750437 0.38650874754997 0.70392150587812 127.600 > 89 106 Te 0.62282568750437 0.88650874754997 0.70392150587812 127.600 > 89 107 Te 0.87717431249563 0.13650874754997 0.79607849412188 127.600 > 91 108 Te 0.87717431249563 0.63650874754997 0.79607849412188 127.600 > 91 109 Te 0.37717431249563 0.11349125245003 0.29607849412188 127.600 > 93 110 Te 0.37717431249563 0.61349125245003 0.29607849412188 127.600 > 93 111 Te 0.12282568750437 0.36349125245003 0.20392150587812 127.600 > 95 112 Te 0.12282568750437 0.86349125245003 0.20392150587812 127.600 > 95 113 Te 0.62740187802449 0.10842533359228 0.86964641523892 127.600 > 97 114 Te 0.62740187802449 0.60842533359228 0.86964641523892 127.600 > 97 115 Te 0.37259812197551 0.10842533359228 0.63035358476108 127.600 > 99 116 Te 0.37259812197551 0.60842533359228 0.63035358476108 127.600 > 99 117 Te 0.37259812197551 0.39157466640772 0.13035358476108 127.600 > 101 118 Te 0.37259812197551 0.89157466640772 0.13035358476108 127.600 > 101 119 Te 0.62740187802449 0.39157466640772 0.36964641523892 127.600 > 103 120 Te 0.62740187802449 0.89157466640772 0.36964641523892 127.600 > 103 121 Pr 0.11811558036459 0.37195798749552 0.53765946952654 140.908 > 121 122 Pr 0.11811558036459 0.87195798749552 0.53765946952654 140.908 > 121 123 Pr 0.38188441963541 0.12195798749552 0.96234053047346 140.908 > 123 124 Pr 0.38188441963541 0.62195798749552 0.96234053047346 140.908 > 123 125 Pr 0.88188441963541 0.12804201250448 0.46234053047346 140.908 > 125 126 Pr 0.88188441963541 0.62804201250448 0.46234053047346 140.908 > 125 127 Pr 0.61811558036459 0.37804201250448 0.03765946952654 140.908 > 127 128 Pr 0.61811558036459 0.87804201250448 0.03765946952654 140.908 > 127 129 Pr 0.61811558036459 0.12195798749552 0.53765946952654 140.908 > 121 130 Pr 0.61811558036459 0.62195798749552 0.53765946952654 140.908 > 121 131 Pr 0.88188441963541 0.37195798749552 0.96234053047346 140.908 > 123 132 Pr 0.88188441963541 0.87195798749552 0.96234053047346 140.908 > 123 133 Pr 0.38188441963541 0.37804201250448 0.46234053047346 140.908 > 125 134 Pr 0.38188441963541 0.87804201250448 0.46234053047346 140.908 > 125 135 Pr 0.11811558036459 0.12804201250448 0.03765946952654 140.908 > 127 136 Pr 0.11811558036459 0.62804201250448 0.03765946952654 140.908 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3073938 0.0000000 -0.5299367 0.0000000 4.8018269 0.0000000 -0.5299337 0.0000000 4.5755073 -------------------------- Born effective charges -------------------------- 1 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 2 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 3 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 4 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 5 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 6 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 7 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 8 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 9 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 10 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 11 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 12 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 13 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 14 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 15 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 16 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 17 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 18 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 19 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 20 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 21 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 22 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 23 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 24 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 25 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 26 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 27 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 28 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 29 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 30 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 31 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 32 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 33 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 34 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 13, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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 (xz) -0.00000000 (xz) 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 2026-01-07 19:20:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:20:39]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.297504635065353 -2.614542600000000 0.000000000000000 b 6.297504635065353 2.614542600000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): 1 O 0.86308449382290 0.13691550617710 0.75000000000000 15.999 2 O 0.13691550617710 0.86308449382290 0.25000000000000 15.999 3 O 0.90584165842221 0.79159523986583 0.82617107674605 15.999 4 O 0.20840476013417 0.09415834157779 0.67382892325395 15.999 5 O 0.09415834157779 0.20840476013417 0.17382892325395 15.999 6 O 0.79159523986583 0.90584165842221 0.32617107674605 15.999 7 O 0.56544040795418 0.38482423211714 0.89804238928401 15.999 8 O 0.61517576788286 0.43455959204582 0.60195761071599 15.999 9 O 0.43455959204582 0.61517576788286 0.10195761071599 15.999 10 O 0.38482423211714 0.56544040795418 0.39804238928401 15.999 11 O 0.19152915435346 0.95071460321436 0.95231922662161 15.999 12 O 0.04928539678564 0.80847084564654 0.54768077337839 15.999 13 O 0.18146285116987 0.32073853118025 0.36885618699288 15.999 14 O 0.67926146881975 0.81853714883013 0.13114381300712 15.999 15 O 0.81853714883013 0.67926146881975 0.63114381300712 15.999 16 O 0.32073853118025 0.18146285116987 0.86885618699288 15.999 17 O 0.66697866427922 0.74789649138324 0.44231856281245 15.999 18 O 0.25210350861676 0.33302133572078 0.05768143718755 15.999 19 O 0.33302133572078 0.25210350861676 0.55768143718755 15.999 20 O 0.74789649138324 0.66697866427922 0.94231856281245 15.999 21 O 0.95071460321436 0.19152915435346 0.45231922662161 15.999 22 O 0.80847084564654 0.04928539678564 0.04768077337839 15.999 23 Te 0.84980819240443 0.39584318260431 0.70392150587812 127.600 24 Te 0.60415681739569 0.15019180759557 0.79607849412188 127.600 25 Te 0.15019180759557 0.60415681739569 0.29607849412188 127.600 26 Te 0.39584318260431 0.84980819240443 0.20392150587812 127.600 27 Te 0.41055121083994 0.84425254520904 0.86964641523892 127.600 28 Te 0.15574745479096 0.58944878916006 0.63035358476108 127.600 29 Te 0.58944878916006 0.15574745479096 0.13035358476108 127.600 30 Te 0.84425254520904 0.41055121083994 0.36964641523892 127.600 31 Pr 0.37419960537355 0.86203155535564 0.53765946952654 140.908 32 Pr 0.13796844464436 0.62580039462645 0.96234053047346 140.908 33 Pr 0.62580039462645 0.13796844464436 0.46234053047346 140.908 34 Pr 0.86203155535564 0.37419960537355 0.03765946952654 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.595009270130706 0.000000000000000 0.000000000000000 b 0.000000000000000 10.458170400000000 0.000000000000000 c -4.460831937945874 0.000000000000000 15.665377427625991 Atomic positions (fractional): 1 O 0.00000000000000 0.06845775308855 0.75000000000000 15.999 > 1 2 O 0.00000000000000 0.56845775308855 0.75000000000000 15.999 > 1 3 O 0.00000000000000 0.43154224691145 0.25000000000000 15.999 > 3 4 O 0.00000000000000 0.93154224691145 0.25000000000000 15.999 > 3 5 O 0.34871844914402 0.22143839536090 0.82617107674605 15.999 > 5 6 O 0.34871844914402 0.72143839536090 0.82617107674605 15.999 > 5 7 O 0.15128155085598 0.47143839536090 0.67382892325395 15.999 > 7 8 O 0.15128155085598 0.97143839536090 0.67382892325395 15.999 > 7 9 O 0.65128155085598 0.27856160463910 0.17382892325395 15.999 > 9 10 O 0.65128155085598 0.77856160463910 0.17382892325395 15.999 > 9 11 O 0.84871844914402 0.02856160463910 0.32617107674605 15.999 > 11 12 O 0.84871844914402 0.52856160463910 0.32617107674605 15.999 > 11 13 O 0.97513232003566 0.20484595604074 0.89804238928401 15.999 > 13 14 O 0.97513232003566 0.70484595604074 0.89804238928401 15.999 > 13 15 O 0.02486767996434 0.20484595604074 0.60195761071599 15.999 > 15 16 O 0.02486767996434 0.70484595604074 0.60195761071599 15.999 > 15 17 O 0.02486767996434 0.29515404395926 0.10195761071599 15.999 > 17 18 O 0.02486767996434 0.79515404395926 0.10195761071599 15.999 > 17 19 O 0.97513232003566 0.29515404395926 0.39804238928401 15.999 > 19 20 O 0.97513232003566 0.79515404395926 0.39804238928401 15.999 > 19 21 O 0.07112187878391 0.43979636221523 0.95231922662161 15.999 > 21 22 O 0.07112187878391 0.93979636221523 0.95231922662161 15.999 > 21 23 O 0.92887812121609 0.43979636221523 0.54768077337839 15.999 > 23 24 O 0.92887812121609 0.93979636221523 0.54768077337839 15.999 > 23 25 O 0.75110069117506 0.28481892000260 0.36885618699288 15.999 > 25 26 O 0.75110069117506 0.78481892000260 0.36885618699288 15.999 > 25 27 O 0.74889930882494 0.03481892000260 0.13114381300712 15.999 > 27 28 O 0.74889930882494 0.53481892000260 0.13114381300712 15.999 > 27 29 O 0.24889930882494 0.21518107999740 0.63114381300712 15.999 > 29 30 O 0.24889930882494 0.71518107999740 0.63114381300712 15.999 > 29 31 O 0.25110069117506 0.46518107999740 0.86885618699288 15.999 > 31 32 O 0.25110069117506 0.96518107999740 0.86885618699288 15.999 > 31 33 O 0.20743757783123 0.27022945677601 0.44231856281245 15.999 > 33 34 O 0.20743757783123 0.77022945677601 0.44231856281245 15.999 > 33 35 O 0.79256242216877 0.27022945677601 0.05768143718755 15.999 > 35 36 O 0.79256242216877 0.77022945677601 0.05768143718755 15.999 > 35 37 O 0.79256242216877 0.22977054322399 0.55768143718755 15.999 > 37 38 O 0.79256242216877 0.72977054322399 0.55768143718755 15.999 > 37 39 O 0.20743757783123 0.22977054322399 0.94231856281245 15.999 > 39 40 O 0.20743757783123 0.72977054322399 0.94231856281245 15.999 > 39 41 O 0.07112187878391 0.06020363778477 0.45231922662161 15.999 > 41 42 O 0.07112187878391 0.56020363778477 0.45231922662161 15.999 > 41 43 O 0.92887812121609 0.06020363778477 0.04768077337839 15.999 > 43 44 O 0.92887812121609 0.56020363778477 0.04768077337839 15.999 > 43 45 O 0.50000000000000 0.31845775308855 0.75000000000000 15.999 > 1 46 O 0.50000000000000 0.81845775308855 0.75000000000000 15.999 > 1 47 O 0.50000000000000 0.18154224691145 0.25000000000000 15.999 > 3 48 O 0.50000000000000 0.68154224691145 0.25000000000000 15.999 > 3 49 O 0.84871844914402 0.47143839536090 0.82617107674605 15.999 > 5 50 O 0.84871844914402 0.97143839536090 0.82617107674605 15.999 > 5 51 O 0.65128155085598 0.22143839536090 0.67382892325395 15.999 > 7 52 O 0.65128155085598 0.72143839536090 0.67382892325395 15.999 > 7 53 O 0.15128155085598 0.02856160463910 0.17382892325395 15.999 > 9 54 O 0.15128155085598 0.52856160463910 0.17382892325395 15.999 > 9 55 O 0.34871844914402 0.27856160463910 0.32617107674605 15.999 > 11 56 O 0.34871844914402 0.77856160463910 0.32617107674605 15.999 > 11 57 O 0.47513232003566 0.45484595604074 0.89804238928401 15.999 > 13 58 O 0.47513232003566 0.95484595604074 0.89804238928401 15.999 > 13 59 O 0.52486767996434 0.45484595604074 0.60195761071599 15.999 > 15 60 O 0.52486767996434 0.95484595604074 0.60195761071599 15.999 > 15 61 O 0.52486767996434 0.04515404395926 0.10195761071599 15.999 > 17 62 O 0.52486767996434 0.54515404395926 0.10195761071599 15.999 > 17 63 O 0.47513232003566 0.04515404395926 0.39804238928401 15.999 > 19 64 O 0.47513232003566 0.54515404395926 0.39804238928401 15.999 > 19 65 O 0.57112187878391 0.18979636221523 0.95231922662161 15.999 > 21 66 O 0.57112187878391 0.68979636221523 0.95231922662161 15.999 > 21 67 O 0.42887812121609 0.18979636221523 0.54768077337839 15.999 > 23 68 O 0.42887812121609 0.68979636221523 0.54768077337839 15.999 > 23 69 O 0.25110069117506 0.03481892000260 0.36885618699288 15.999 > 25 70 O 0.25110069117506 0.53481892000260 0.36885618699288 15.999 > 25 71 O 0.24889930882494 0.28481892000260 0.13114381300712 15.999 > 27 72 O 0.24889930882494 0.78481892000260 0.13114381300712 15.999 > 27 73 O 0.74889930882494 0.46518107999740 0.63114381300712 15.999 > 29 74 O 0.74889930882494 0.96518107999740 0.63114381300712 15.999 > 29 75 O 0.75110069117506 0.21518107999740 0.86885618699288 15.999 > 31 76 O 0.75110069117506 0.71518107999740 0.86885618699288 15.999 > 31 77 O 0.70743757783123 0.02022945677601 0.44231856281245 15.999 > 33 78 O 0.70743757783123 0.52022945677601 0.44231856281245 15.999 > 33 79 O 0.29256242216877 0.02022945677601 0.05768143718755 15.999 > 35 80 O 0.29256242216877 0.52022945677601 0.05768143718755 15.999 > 35 81 O 0.29256242216877 0.47977054322399 0.55768143718755 15.999 > 37 82 O 0.29256242216877 0.97977054322399 0.55768143718755 15.999 > 37 83 O 0.70743757783123 0.47977054322399 0.94231856281245 15.999 > 39 84 O 0.70743757783123 0.97977054322399 0.94231856281245 15.999 > 39 85 O 0.57112187878391 0.31020363778477 0.45231922662161 15.999 > 41 86 O 0.57112187878391 0.81020363778477 0.45231922662161 15.999 > 41 87 O 0.42887812121609 0.31020363778477 0.04768077337839 15.999 > 43 88 O 0.42887812121609 0.81020363778477 0.04768077337839 15.999 > 43 89 Te 0.12282568750437 0.13650874754997 0.70392150587812 127.600 > 89 90 Te 0.12282568750437 0.63650874754997 0.70392150587812 127.600 > 89 91 Te 0.37717431249563 0.38650874754997 0.79607849412188 127.600 > 91 92 Te 0.37717431249563 0.88650874754997 0.79607849412188 127.600 > 91 93 Te 0.87717431249563 0.36349125245003 0.29607849412188 127.600 > 93 94 Te 0.87717431249563 0.86349125245003 0.29607849412188 127.600 > 93 95 Te 0.62282568750437 0.11349125245003 0.20392150587812 127.600 > 95 96 Te 0.62282568750437 0.61349125245003 0.20392150587812 127.600 > 95 97 Te 0.12740187802449 0.35842533359228 0.86964641523892 127.600 > 97 98 Te 0.12740187802449 0.85842533359228 0.86964641523892 127.600 > 97 99 Te 0.87259812197551 0.35842533359228 0.63035358476108 127.600 > 99 100 Te 0.87259812197551 0.85842533359228 0.63035358476108 127.600 > 99 101 Te 0.87259812197551 0.14157466640772 0.13035358476108 127.600 > 101 102 Te 0.87259812197551 0.64157466640772 0.13035358476108 127.600 > 101 103 Te 0.12740187802449 0.14157466640772 0.36964641523892 127.600 > 103 104 Te 0.12740187802449 0.64157466640772 0.36964641523892 127.600 > 103 105 Te 0.62282568750437 0.38650874754997 0.70392150587812 127.600 > 89 106 Te 0.62282568750437 0.88650874754997 0.70392150587812 127.600 > 89 107 Te 0.87717431249563 0.13650874754997 0.79607849412188 127.600 > 91 108 Te 0.87717431249563 0.63650874754997 0.79607849412188 127.600 > 91 109 Te 0.37717431249563 0.11349125245003 0.29607849412188 127.600 > 93 110 Te 0.37717431249563 0.61349125245003 0.29607849412188 127.600 > 93 111 Te 0.12282568750437 0.36349125245003 0.20392150587812 127.600 > 95 112 Te 0.12282568750437 0.86349125245003 0.20392150587812 127.600 > 95 113 Te 0.62740187802449 0.10842533359228 0.86964641523892 127.600 > 97 114 Te 0.62740187802449 0.60842533359228 0.86964641523892 127.600 > 97 115 Te 0.37259812197551 0.10842533359228 0.63035358476108 127.600 > 99 116 Te 0.37259812197551 0.60842533359228 0.63035358476108 127.600 > 99 117 Te 0.37259812197551 0.39157466640772 0.13035358476108 127.600 > 101 118 Te 0.37259812197551 0.89157466640772 0.13035358476108 127.600 > 101 119 Te 0.62740187802449 0.39157466640772 0.36964641523892 127.600 > 103 120 Te 0.62740187802449 0.89157466640772 0.36964641523892 127.600 > 103 121 Pr 0.11811558036459 0.37195798749552 0.53765946952654 140.908 > 121 122 Pr 0.11811558036459 0.87195798749552 0.53765946952654 140.908 > 121 123 Pr 0.38188441963541 0.12195798749552 0.96234053047346 140.908 > 123 124 Pr 0.38188441963541 0.62195798749552 0.96234053047346 140.908 > 123 125 Pr 0.88188441963541 0.12804201250448 0.46234053047346 140.908 > 125 126 Pr 0.88188441963541 0.62804201250448 0.46234053047346 140.908 > 125 127 Pr 0.61811558036459 0.37804201250448 0.03765946952654 140.908 > 127 128 Pr 0.61811558036459 0.87804201250448 0.03765946952654 140.908 > 127 129 Pr 0.61811558036459 0.12195798749552 0.53765946952654 140.908 > 121 130 Pr 0.61811558036459 0.62195798749552 0.53765946952654 140.908 > 121 131 Pr 0.88188441963541 0.37195798749552 0.96234053047346 140.908 > 123 132 Pr 0.88188441963541 0.87195798749552 0.96234053047346 140.908 > 123 133 Pr 0.38188441963541 0.37804201250448 0.46234053047346 140.908 > 125 134 Pr 0.38188441963541 0.87804201250448 0.46234053047346 140.908 > 125 135 Pr 0.11811558036459 0.12804201250448 0.03765946952654 140.908 > 127 136 Pr 0.11811558036459 0.62804201250448 0.03765946952654 140.908 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3073938 0.0000000 -0.5299367 0.0000000 4.8018269 0.0000000 -0.5299337 0.0000000 4.5755073 -------------------------- Born effective charges -------------------------- 1 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 2 O -4.4737908 0.0000000 0.9100729 0.0000000 -1.6074451 0.0000000 1.7591848 0.0000000 -1.6524268 3 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 4 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 5 O -1.6555764 -0.7517817 0.4055473 -0.3387691 -2.6810323 0.8653122 0.1290623 0.5011989 -1.9282897 6 O -1.6555764 0.7517817 0.4055473 0.3387691 -2.6810323 -0.8653122 0.1290623 -0.5011989 -1.9282897 7 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 8 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 9 O -2.2342764 -0.3328015 -0.3539129 -0.4093710 -1.9657218 -0.7900323 -0.4105592 -0.5483037 -2.6405450 10 O -2.2342764 0.3328015 -0.3539129 0.4093710 -1.9657218 0.7900323 -0.4105592 0.5483037 -2.6405450 11 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 12 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 13 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 14 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 15 O -3.6988926 0.7943138 0.3086139 1.0102856 -1.9783636 0.3133007 0.6946610 -0.0285758 -1.6019276 16 O -3.6988926 -0.7943138 0.3086139 -1.0102856 -1.9783636 -0.3133007 0.6946610 0.0285758 -1.6019276 17 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 18 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 19 O -2.1050312 -0.3584858 -0.0347156 -0.4094626 -2.3880207 -1.3214829 -0.1058517 -0.8973240 -2.0431755 20 O -2.1050312 0.3584858 -0.0347156 0.4094626 -2.3880207 1.3214829 -0.1058517 0.8973240 -2.0431755 21 O -2.4258073 -0.3225992 1.0185287 -0.4160759 -2.1057762 1.0392322 0.5708304 0.8756634 -2.1796557 22 O -2.4258073 0.3225992 1.0185287 0.4160759 -2.1057762 -1.0392322 0.5708304 -0.8756634 -2.1796557 23 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 24 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 25 Te 5.5513699 0.7027811 -0.9639510 0.0531363 3.4134341 -0.7245011 -1.0438992 -0.9703317 3.6032374 26 Te 5.5513699 -0.7027811 -0.9639510 -0.0531363 3.4134341 0.7245011 -1.0438992 0.9703317 3.6032374 27 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 28 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 29 Te 4.6284561 0.8157892 -0.3982013 0.3822142 3.9385371 -0.6342504 -0.4255736 -0.6590478 2.9455371 30 Te 4.6284561 -0.8157892 -0.3982013 -0.3822142 3.9385371 0.6342504 -0.4255736 0.6590478 2.9455371 31 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 32 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 33 Pr 4.1766532 0.0849828 -0.4369456 0.0375133 4.5706658 0.2281701 -0.2882623 -0.0747093 4.6710324 34 Pr 4.1766532 -0.0849828 -0.4369456 -0.0375133 4.5706658 -0.2281701 -0.2882623 0.0747093 4.6710324 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 10 3 ] 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: 0.52, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 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 1.057 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.673 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 0.000) 0.000 16.811 ( 0.000 0.000 0.000) 0.000 17.901 ( 0.000 0.000 0.000) 0.000 17.933 ( 0.000 0.000 0.000) 0.000 17.942 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 19.420 ( 0.000 0.000 0.000) 0.000 19.606 ( 0.000 0.000 0.000) 0.000 19.777 ( 0.000 0.000 0.000) 0.000 19.787 ( 0.000 0.000 0.000) 0.000 19.865 ( 0.000 0.000 0.000) 0.000 20.033 ( 0.000 0.000 0.000) 0.000 20.071 ( 0.000 0.000 0.000) 0.000 20.288 ( 0.000 0.000 0.000) 0.000 21.654 ( 0.000 0.000 0.000) 0.000 21.990 ( 0.000 0.000 0.000) 0.000 21.992 ( 0.000 0.000 0.000) 0.000 22.447 ( 0.000 0.000 0.000) 0.000 22.590 ( 0.000 0.000 0.000) 0.000 22.906 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 23.083 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 11.199 -15.753 -3.822) 19.702 0.555 ( 3.186 -24.874 11.133) 27.437 0.792 ( 26.169 -28.040 -2.056) 38.409 1.168 ( -3.593 -1.219 0.568) 3.836 1.225 ( 6.794 -11.033 -8.382) 15.432 1.627 ( 4.147 5.690 -6.803) 9.791 1.698 ( 7.122 -2.082 14.830) 16.583 1.913 ( 11.033 5.717 -6.280) 13.923 2.167 ( 0.525 -9.005 -2.493) 9.359 2.408 ( 1.967 -9.823 -0.267) 10.022 2.561 ( 2.681 -3.569 0.751) 4.527 2.640 ( 5.697 5.398 -0.558) 7.868 2.712 ( -2.604 -3.191 -0.174) 4.122 2.880 ( 0.244 1.661 -0.802) 1.861 3.077 ( -1.805 4.516 -1.485) 5.085 3.154 ( 11.074 1.651 -5.509) 12.478 3.323 ( -3.268 1.339 3.574) 5.025 3.332 ( -3.182 2.254 0.597) 3.945 3.492 ( 2.256 -6.519 -2.484) 7.332 3.558 ( -1.071 -6.190 0.676) 6.318 3.704 ( -1.575 1.417 -1.142) 2.407 3.799 ( -4.961 0.066 1.009) 5.063 3.856 ( -3.120 0.895 -0.663) 3.313 3.898 ( -5.066 -2.116 -1.652) 5.733 3.942 ( 0.576 -2.267 2.804) 3.651 4.295 ( 4.265 3.754 5.285) 7.760 4.313 ( 3.590 5.402 -6.612) 9.262 4.465 ( -4.153 2.172 -0.213) 4.691 4.558 ( 0.227 9.076 -2.212) 9.344 4.649 ( -6.169 4.523 2.633) 8.090 4.727 ( 0.720 4.326 -1.007) 4.500 4.851 ( 7.221 3.577 -3.769) 8.897 4.922 ( -0.462 0.391 1.649) 1.756 5.015 ( -3.724 -1.176 -4.641) 6.065 5.119 ( 0.705 -4.469 -1.962) 4.931 5.263 ( -3.464 -2.838 -1.532) 4.733 5.301 ( -6.290 -1.282 4.567) 7.879 5.563 ( 7.077 9.821 -2.155) 12.295 5.652 ( -9.484 0.234 -1.718) 9.641 5.688 ( 0.508 -0.028 1.085) 1.199 5.752 ( -3.087 1.937 2.178) 4.246 5.902 ( -0.151 -5.171 -0.346) 5.184 6.015 ( 4.159 0.014 0.981) 4.274 6.131 ( -2.032 -0.092 -0.064) 2.035 6.207 ( 6.091 1.377 1.126) 6.346 6.355 ( 4.549 -3.024 -0.019) 5.463 6.369 ( 3.964 1.255 -0.666) 4.211 6.732 ( -4.727 -5.253 7.613) 10.387 6.764 ( 0.069 -3.149 -3.258) 4.532 7.179 ( 30.659 16.778 -9.828) 36.305 7.215 ( 15.778 5.370 -5.428) 17.528 7.527 ( 1.126 0.403 -0.733) 1.403 7.916 ( -3.866 2.846 -0.921) 4.888 8.033 ( -0.138 6.264 -0.598) 6.294 8.108 ( 3.074 2.204 7.285) 8.208 8.413 ( -6.542 -2.646 3.399) 7.833 8.529 ( 6.848 3.350 -1.182) 7.714 8.580 ( 0.719 -0.806 2.381) 2.614 8.731 ( 2.865 2.852 -2.203) 4.604 8.879 ( 13.660 5.504 -9.204) 17.366 8.929 ( -5.169 -4.138 5.174) 8.403 9.131 ( 10.180 -1.262 -5.795) 11.782 9.722 ( 1.998 0.582 -1.929) 2.838 10.211 ( -10.465 8.102 5.588) 14.366 10.345 ( 2.608 4.066 -4.421) 6.548 10.449 ( -3.382 4.620 1.426) 5.900 10.548 ( 0.041 -4.012 1.226) 4.195 10.635 ( -2.353 -3.364 -6.959) 8.079 10.750 ( -1.753 -6.715 3.939) 7.980 10.925 ( 2.281 2.374 -0.030) 3.292 11.114 ( 2.628 -0.168 0.116) 2.636 11.188 ( -4.607 -4.044 -2.994) 6.822 11.579 ( -4.805 2.324 0.417) 5.354 11.645 ( -0.910 -1.066 -0.571) 1.513 11.755 ( 12.376 3.953 -0.040) 12.992 11.886 ( 23.079 13.761 2.637) 26.999 12.327 ( -0.132 0.728 -0.151) 0.755 12.364 ( -0.485 -1.126 0.265) 1.254 13.226 ( 0.236 2.800 -0.330) 2.829 13.334 ( -3.670 2.639 -0.126) 4.522 16.275 ( 16.734 6.020 -13.908) 22.576 16.720 ( 0.535 8.843 5.008) 10.177 17.959 ( 1.422 -4.990 -0.563) 5.219 18.004 ( 0.675 -5.996 0.633) 6.067 18.144 ( -13.259 -5.576 0.038) 14.384 18.812 ( 12.863 0.640 -6.502) 14.427 19.431 ( -1.594 1.667 4.020) 4.635 19.569 ( 4.590 11.216 -1.481) 12.209 19.785 ( -0.742 7.130 -1.171) 7.263 19.916 ( -10.002 4.640 5.618) 12.375 20.012 ( -5.060 -6.158 0.109) 7.971 20.045 ( 9.702 6.122 2.980) 11.852 20.181 ( 9.924 -7.490 -1.002) 12.474 20.869 ( 14.441 -3.090 -11.820) 18.916 21.706 ( 1.084 -3.385 5.379) 6.447 21.952 ( 0.806 2.912 -0.464) 3.056 22.371 ( -0.686 6.206 -0.529) 6.266 22.544 ( -3.958 1.592 3.520) 5.531 22.634 ( 0.798 -3.472 -2.066) 4.118 22.996 ( -1.553 -6.935 -0.520) 7.126 23.115 ( -1.893 -3.709 0.809) 4.242 23.644 ( -26.173 -8.906 -6.352) 28.367 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 10.027 -16.829 -3.954) 19.984 0.947 ( 0.238 -5.336 11.591) 12.762 1.148 ( 9.503 -9.193 -0.424) 13.229 1.377 ( 0.626 -6.780 -9.047) 11.323 1.557 ( 15.741 -20.911 -3.261) 26.376 1.679 ( 7.118 -8.300 -0.437) 10.943 1.910 ( 13.681 -7.791 8.746) 18.010 1.934 ( 11.008 -1.963 -2.754) 11.515 2.297 ( -0.963 -5.441 -4.379) 7.051 2.556 ( 1.784 0.774 2.814) 3.421 2.655 ( 5.433 -2.869 0.556) 6.169 2.668 ( 2.727 -3.921 1.935) 5.153 2.776 ( 2.106 -2.819 -3.350) 4.859 2.847 ( -1.473 -2.359 5.015) 5.735 3.076 ( 2.728 -4.385 -7.259) 8.909 3.181 ( 2.794 1.275 -1.943) 3.634 3.225 ( -3.857 1.949 1.914) 4.726 3.303 ( -4.024 0.966 3.318) 5.304 3.576 ( -0.869 -0.814 -0.752) 1.408 3.599 ( -3.575 -0.067 1.826) 4.015 3.674 ( -2.320 0.660 -1.155) 2.674 3.712 ( 0.517 4.362 -2.710) 5.161 3.795 ( -4.515 1.350 -1.861) 5.067 3.852 ( -6.737 1.982 1.753) 7.238 3.985 ( -2.636 2.415 6.237) 7.188 4.184 ( -0.799 5.894 -4.431) 7.417 4.258 ( -0.271 1.879 2.934) 3.494 4.370 ( -1.890 6.074 -1.526) 6.542 4.481 ( -3.514 -2.781 -2.642) 5.202 4.542 ( -0.807 1.126 0.123) 1.390 4.684 ( 0.936 0.010 1.168) 1.497 4.816 ( 6.203 4.105 -6.114) 9.628 4.937 ( 1.671 -1.412 -0.518) 2.249 4.998 ( -3.957 -0.868 1.936) 4.489 5.131 ( -4.128 1.247 0.679) 4.366 5.224 ( -8.069 1.762 6.409) 10.454 5.342 ( -3.122 -4.858 -3.526) 6.766 5.434 ( 3.514 5.602 -1.853) 6.867 5.566 ( -6.895 1.516 -1.215) 7.164 5.674 ( -5.144 0.264 4.131) 6.602 5.762 ( 4.857 -2.350 -0.130) 5.397 5.970 ( -0.586 -1.957 -0.089) 2.044 6.037 ( 2.397 0.531 -0.068) 2.456 6.082 ( -5.451 2.038 0.875) 5.885 6.229 ( 7.968 1.875 1.545) 8.330 6.423 ( 8.506 1.421 0.372) 8.632 6.451 ( 9.982 -2.500 -3.215) 10.781 6.750 ( 0.874 0.646 4.513) 4.643 6.841 ( 5.085 -0.476 -0.049) 5.108 7.010 ( 18.119 17.000 -7.735) 26.022 7.279 ( 4.237 -2.767 -1.069) 5.172 7.529 ( -1.769 -0.658 1.259) 2.269 7.811 ( -4.019 3.815 -0.544) 5.568 7.923 ( 4.987 6.315 -3.436) 8.750 8.159 ( 1.574 -3.750 0.282) 4.077 8.247 ( -1.547 11.436 1.378) 11.622 8.499 ( -7.465 1.592 9.374) 12.088 8.654 ( 0.977 -0.359 -4.598) 4.714 8.719 ( 4.302 -1.302 -1.418) 4.713 8.829 ( -0.188 4.053 -0.926) 4.162 9.015 ( -6.175 -7.234 4.759) 10.635 9.243 ( 10.781 -3.177 -6.887) 13.182 9.747 ( 2.784 -1.427 -1.385) 3.421 9.978 ( -5.132 9.195 3.995) 11.263 10.281 ( -3.192 1.439 -0.619) 3.555 10.376 ( 0.628 2.648 0.846) 2.850 10.598 ( -3.726 -2.417 -3.084) 5.407 10.644 ( -5.815 -3.453 -0.786) 6.808 10.850 ( 4.501 -0.934 0.598) 4.636 10.898 ( 2.375 1.912 1.586) 3.437 11.110 ( 0.054 1.559 -0.420) 1.615 11.220 ( 6.474 2.750 2.499) 7.465 11.494 ( -3.945 2.470 -1.101) 4.783 11.654 ( -2.243 -0.093 -0.765) 2.372 11.764 ( 8.010 2.737 0.230) 8.468 11.811 ( 14.763 9.395 0.293) 17.501 12.318 ( -0.483 -0.473 -0.383) 0.777 12.386 ( -1.078 -1.910 0.235) 2.206 13.144 ( -0.319 5.765 0.066) 5.775 13.229 ( -3.838 4.741 0.068) 6.100 16.260 ( 7.166 3.046 -5.252) 9.392 16.562 ( 0.045 8.211 4.129) 9.191 18.072 ( -4.353 -6.556 -0.213) 7.872 18.154 ( -4.147 -8.415 0.827) 9.418 18.192 ( 1.077 -7.369 -0.127) 7.448 18.844 ( 12.762 5.629 -3.132) 14.296 19.322 ( -8.129 6.933 0.343) 10.690 19.429 ( 1.962 6.304 0.853) 6.657 19.611 ( 2.265 9.418 0.198) 9.688 19.708 ( -7.269 8.113 0.467) 10.903 19.937 ( 6.843 8.477 -1.924) 11.063 20.097 ( 10.492 2.254 1.233) 10.802 20.463 ( -7.379 -16.798 3.578) 18.693 21.072 ( 11.785 -8.629 -5.772) 15.706 21.812 ( 1.300 -4.986 3.482) 6.219 21.930 ( 1.768 -0.025 -0.984) 2.024 22.225 ( -1.393 7.699 -0.380) 7.834 22.457 ( -3.169 5.041 1.652) 6.179 22.716 ( 1.182 -4.750 -1.326) 5.071 23.105 ( -2.439 -5.527 -0.652) 6.076 23.181 ( -2.659 -4.392 1.658) 5.395 23.577 ( -13.939 -2.083 -2.526) 14.318 ======================= Grid point 3 (4/86) ======================= q-point: ( 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 8.064 -7.925 1.444) 11.398 1.094 ( 6.086 -9.327 -4.435) 11.987 1.374 ( 8.679 -4.242 -4.388) 10.610 1.508 ( 1.153 -10.982 3.456) 11.570 1.897 ( 6.261 -6.323 0.931) 8.947 1.925 ( 1.456 -11.274 4.441) 12.204 2.175 ( 11.208 -9.793 -5.079) 15.727 2.244 ( 15.142 -12.128 2.611) 19.575 2.339 ( -1.637 3.442 0.087) 3.812 2.480 ( 5.125 0.061 -3.068) 5.973 2.715 ( -1.164 -0.238 4.100) 4.269 2.777 ( -0.947 -3.121 2.094) 3.876 2.865 ( 6.900 -1.818 -3.037) 7.755 2.920 ( 4.058 -3.465 -1.742) 5.613 3.152 ( 0.221 -1.550 0.576) 1.668 3.182 ( -0.914 -0.201 -2.783) 2.936 3.220 ( -2.863 -3.829 -0.529) 4.810 3.261 ( -6.301 -0.711 5.089) 8.131 3.477 ( 2.430 6.077 -4.655) 8.031 3.572 ( -3.927 0.928 2.040) 4.521 3.617 ( -2.744 4.865 2.772) 6.235 3.672 ( -4.342 0.833 1.402) 4.638 3.728 ( -2.319 3.348 -1.610) 4.379 3.781 ( 0.393 -1.353 -2.985) 3.301 3.874 ( -4.383 2.956 6.483) 8.365 4.079 ( -0.159 4.653 -1.851) 5.010 4.177 ( -4.795 1.401 -3.470) 6.083 4.326 ( -1.186 0.112 1.427) 1.859 4.476 ( -10.062 -3.221 -0.836) 10.598 4.593 ( 8.777 0.355 -1.290) 8.878 4.702 ( -2.328 0.041 -1.591) 2.819 4.792 ( 0.823 -1.430 -0.625) 1.764 4.978 ( -3.747 0.955 4.514) 5.944 4.994 ( 3.625 -0.959 -1.817) 4.167 5.073 ( 0.920 1.707 -3.641) 4.125 5.163 ( -6.584 -2.126 4.944) 8.504 5.322 ( -9.791 -0.087 -1.299) 9.878 5.439 ( 3.635 -1.702 -0.761) 4.086 5.493 ( -3.455 1.532 0.535) 3.817 5.665 ( -1.286 -1.609 0.619) 2.151 5.851 ( 5.125 0.099 1.277) 5.283 5.941 ( -1.510 2.056 -1.092) 2.775 6.028 ( 1.833 0.909 1.023) 2.288 6.050 ( 0.966 -0.714 0.882) 1.490 6.269 ( 8.555 1.360 0.160) 8.664 6.419 ( 5.898 5.367 1.290) 8.078 6.562 ( 8.387 -1.551 -2.184) 8.804 6.747 ( 0.080 2.400 3.233) 4.027 6.826 ( 11.216 9.506 -6.929) 16.253 6.879 ( 4.612 0.927 1.000) 4.809 7.339 ( 2.982 0.133 -0.237) 2.994 7.520 ( -4.408 -0.299 1.189) 4.576 7.720 ( -1.327 3.268 0.892) 3.638 7.862 ( 7.538 3.961 -6.130) 10.492 8.023 ( 0.777 10.675 0.973) 10.747 8.261 ( 2.568 -3.819 1.340) 4.793 8.420 ( -8.873 1.512 7.920) 11.989 8.603 ( -2.136 2.689 -2.659) 4.343 8.725 ( -4.692 3.760 1.683) 6.244 8.766 ( -1.176 -0.661 -4.916) 5.098 9.090 ( -5.772 -4.375 3.934) 8.242 9.382 ( 8.672 -3.910 -5.746) 11.114 9.757 ( -1.473 2.073 2.569) 3.615 9.892 ( 1.747 -2.452 -0.335) 3.029 10.248 ( -2.664 -0.434 2.290) 3.540 10.344 ( 2.966 2.241 -1.371) 3.962 10.589 ( -4.465 -2.019 -4.747) 6.823 10.683 ( -5.244 -4.396 3.290) 7.593 10.842 ( 5.723 4.710 -0.767) 7.452 10.911 ( 2.464 0.584 1.556) 2.972 11.063 ( -0.266 2.830 -0.091) 2.844 11.162 ( 5.806 8.619 0.605) 10.410 11.420 ( -2.057 2.692 -0.004) 3.387 11.603 ( -1.419 3.196 -0.356) 3.515 11.774 ( 6.873 2.951 0.324) 7.487 11.797 ( 6.659 0.791 -0.218) 6.709 12.348 ( 0.271 -2.997 -0.264) 3.021 12.427 ( -0.599 -3.194 -0.049) 3.250 13.002 ( -2.021 7.923 0.516) 8.193 13.107 ( -2.969 4.891 -0.206) 5.725 16.251 ( 4.072 1.646 -2.376) 4.993 16.436 ( -0.693 5.423 2.251) 5.912 18.121 ( -7.365 -4.545 0.152) 8.656 18.292 ( 1.295 -6.911 -1.097) 7.117 18.383 ( 1.306 -9.471 1.146) 9.629 18.805 ( 9.605 6.663 -0.599) 11.706 19.093 ( -7.746 8.785 -0.265) 11.715 19.323 ( -0.089 5.092 0.087) 5.093 19.497 ( 1.487 6.540 1.166) 6.808 19.527 ( -4.996 4.093 0.118) 6.460 19.823 ( 7.043 8.369 -2.083) 11.135 20.121 ( 9.501 3.619 0.502) 10.180 20.685 ( -8.592 -12.759 1.477) 15.453 21.317 ( 8.452 -8.461 -1.989) 12.124 21.909 ( 0.535 -3.454 1.681) 3.878 21.968 ( 2.114 -1.933 -0.295) 2.880 22.066 ( -1.214 7.297 -0.539) 7.417 22.320 ( -2.909 6.643 0.928) 7.311 22.827 ( 1.920 -5.689 -1.274) 6.138 23.153 ( -3.129 -1.743 1.197) 3.776 23.242 ( -1.495 -3.474 -0.174) 3.785 23.501 ( -9.053 -0.111 -0.849) 9.094 ======================= Grid point 4 (5/86) ======================= q-point: ( 0.40 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 4.576 0.355 -9.011) 10.112 1.348 ( 5.841 -12.675 1.902) 14.085 1.586 ( 4.794 -10.236 1.895) 11.461 1.696 ( 4.884 -5.607 1.690) 7.625 1.989 ( -0.249 -0.194 3.300) 3.315 2.118 ( -2.702 -0.845 6.468) 7.061 2.165 ( 4.162 3.636 -2.958) 6.269 2.349 ( 1.564 -3.357 -2.478) 4.456 2.569 ( 5.873 -3.836 -4.475) 8.320 2.605 ( 10.775 -11.638 -1.047) 15.895 2.680 ( -1.249 2.385 2.204) 3.479 2.787 ( -8.219 -0.619 -0.184) 8.245 2.933 ( 4.179 -4.538 0.247) 6.174 3.006 ( 0.419 0.095 -3.902) 3.925 3.112 ( 0.047 3.341 2.052) 3.921 3.157 ( -2.600 2.794 1.513) 4.105 3.214 ( 3.104 2.065 0.393) 3.748 3.304 ( -0.366 -2.507 1.208) 2.806 3.433 ( -6.767 6.630 5.560) 10.985 3.481 ( 3.707 -2.373 -3.867) 5.858 3.534 ( -1.972 0.248 -0.198) 1.997 3.594 ( 1.608 2.492 0.537) 3.014 3.716 ( -1.066 -0.613 -1.662) 2.067 3.837 ( 0.589 -1.440 -0.309) 1.586 3.879 ( -0.875 -4.439 0.264) 4.532 4.008 ( 0.596 2.166 1.198) 2.546 4.155 ( -4.475 -2.595 -4.728) 7.008 4.302 ( -0.049 1.397 -0.379) 1.448 4.438 ( -12.284 -1.611 3.199) 12.795 4.596 ( -1.124 2.234 2.992) 3.900 4.656 ( 6.618 3.780 -2.961) 8.176 4.851 ( -1.653 -3.679 -0.316) 4.046 4.930 ( -4.568 1.056 3.437) 5.813 5.013 ( 1.947 3.429 -4.256) 5.802 5.046 ( 6.527 0.159 -0.898) 6.591 5.224 ( -12.029 -1.248 -0.192) 12.096 5.264 ( -1.564 -6.942 1.695) 7.315 5.463 ( -0.369 0.020 0.633) 0.733 5.491 ( 0.706 -1.078 -0.427) 1.358 5.689 ( 0.249 -0.037 -0.530) 0.587 5.769 ( -2.112 4.723 1.215) 5.314 5.990 ( 7.839 -0.818 0.455) 7.895 6.048 ( 0.149 -1.454 0.841) 1.687 6.112 ( 5.364 -3.631 -0.434) 6.492 6.284 ( 4.700 4.890 -2.464) 7.216 6.345 ( 2.392 3.395 3.338) 5.328 6.586 ( 3.375 4.498 -3.158) 6.449 6.689 ( 2.345 1.950 0.866) 3.170 6.801 ( 1.358 -0.834 -0.783) 1.775 6.917 ( 4.766 -0.145 0.368) 4.783 7.322 ( 0.658 2.196 -0.548) 2.357 7.462 ( -6.582 1.825 0.544) 6.851 7.685 ( 2.375 1.112 2.829) 3.858 7.833 ( 2.091 3.610 -4.112) 5.858 7.924 ( 10.636 2.130 -4.230) 11.643 8.256 ( -8.983 5.036 13.164) 16.714 8.390 ( -0.192 -2.828 -5.633) 6.306 8.539 ( -1.858 1.001 -1.577) 2.634 8.644 ( -4.275 0.867 3.793) 5.780 8.720 ( -4.061 1.441 -4.519) 6.244 9.119 ( -2.600 -1.656 1.704) 3.522 9.467 ( 3.615 -0.508 -1.715) 4.033 9.745 ( 0.355 -1.228 0.070) 1.280 9.982 ( 0.904 -3.855 0.126) 3.961 10.266 ( -0.895 -2.210 2.939) 3.784 10.332 ( 3.954 1.517 -2.651) 4.996 10.594 ( -3.550 -2.626 -1.630) 4.707 10.743 ( -4.120 -5.046 2.326) 6.918 10.771 ( 1.937 5.351 -0.825) 5.750 10.905 ( -0.284 0.961 1.224) 1.581 11.009 ( 2.262 6.849 0.540) 7.233 11.027 ( 5.117 5.437 -1.751) 7.669 11.362 ( -1.080 1.935 0.554) 2.284 11.529 ( -0.443 3.118 -0.123) 3.152 11.786 ( 3.582 0.709 0.168) 3.656 11.836 ( 2.240 -0.993 -0.292) 2.467 12.424 ( 1.009 -3.732 -0.001) 3.866 12.504 ( 1.020 -4.844 -0.349) 4.963 12.825 ( -3.290 8.125 0.518) 8.781 13.002 ( -1.647 3.843 -0.150) 4.184 16.252 ( 2.396 0.569 -1.142) 2.715 16.352 ( -1.129 2.915 1.125) 3.322 18.146 ( -3.480 -2.501 0.090) 4.286 18.395 ( -0.142 -3.241 -1.700) 3.662 18.559 ( -0.926 -8.165 2.156) 8.495 18.754 ( 7.166 5.690 0.994) 9.204 18.910 ( -4.502 4.283 -2.858) 6.839 19.257 ( -0.644 1.338 3.026) 3.371 19.374 ( -0.217 5.300 -1.447) 5.498 19.461 ( -1.315 2.071 0.573) 2.519 19.734 ( 4.488 5.018 -1.325) 6.862 20.117 ( 5.085 2.690 0.145) 5.755 20.830 ( -4.680 -7.540 0.461) 8.886 21.497 ( 3.599 -5.292 -0.549) 6.423 21.930 ( -0.312 4.485 0.080) 4.496 21.958 ( 0.056 -0.122 1.631) 1.636 22.025 ( 0.980 -2.546 -2.558) 3.740 22.183 ( -1.627 5.471 1.557) 5.916 22.949 ( 2.406 -5.273 -1.382) 5.959 23.134 ( -3.052 1.280 1.791) 3.763 23.286 ( -0.233 -1.897 -0.847) 2.090 23.441 ( -4.976 0.251 0.000) 4.983 ======================= Grid point 5 (6/86) ======================= q-point: (-0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 -0.000 0.000) 0.000 1.520 ( 0.000 -0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 -0.000 -0.000) 0.000 1.963 ( -0.000 -0.000 0.000) 0.000 1.986 ( 0.000 -0.000 -0.000) 0.000 2.221 ( 0.000 -0.000 0.000) 0.000 2.378 ( 0.000 -0.000 0.000) 0.000 2.628 ( -0.000 -0.000 0.000) 0.000 2.653 ( 0.000 -0.000 0.000) 0.000 2.782 ( -0.000 -0.000 0.000) 0.000 2.795 ( 0.000 0.000 -0.000) 0.000 2.970 ( 0.000 -0.000 -0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.031 ( -0.000 0.000 -0.000) 0.000 3.144 ( 0.000 -0.000 0.000) 0.000 3.170 ( 0.000 -0.000 0.000) 0.000 3.300 ( 0.000 -0.000 -0.000) 0.000 3.358 ( 0.000 -0.000 0.000) 0.000 3.499 ( 0.000 -0.000 0.000) 0.000 3.572 ( 0.000 -0.000 0.000) 0.000 3.642 ( 0.000 -0.000 0.000) 0.000 3.672 ( -0.000 0.000 0.000) 0.000 3.822 ( 0.000 -0.000 -0.000) 0.000 3.968 ( 0.000 -0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 -0.000 -0.000) 0.000 4.289 ( -0.000 0.000 0.000) 0.000 4.394 ( 0.000 -0.000 -0.000) 0.000 4.563 ( 0.000 -0.000 -0.000) 0.000 4.653 ( -0.000 -0.000 0.000) 0.000 4.873 ( 0.000 -0.000 0.000) 0.000 4.934 ( 0.000 -0.000 0.000) 0.000 4.938 ( -0.000 0.000 -0.000) 0.000 5.120 ( -0.000 0.000 0.000) 0.000 5.129 ( 0.000 -0.000 -0.000) 0.000 5.389 ( 0.000 -0.000 0.000) 0.000 5.440 ( 0.000 -0.000 0.000) 0.000 5.498 ( 0.000 -0.000 0.000) 0.000 5.668 ( 0.000 -0.000 0.000) 0.000 5.723 ( 0.000 -0.000 0.000) 0.000 6.033 ( 0.000 -0.000 -0.000) 0.000 6.125 ( 0.000 0.000 -0.000) 0.000 6.131 ( -0.000 -0.000 0.000) 0.000 6.251 ( -0.000 -0.000 -0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 -0.000 -0.000) 0.000 6.684 ( 0.000 -0.000 0.000) 0.000 6.826 ( 0.000 -0.000 0.000) 0.000 6.940 ( 0.000 -0.000 0.000) 0.000 7.299 ( 0.000 -0.000 0.000) 0.000 7.403 ( -0.000 -0.000 0.000) 0.000 7.700 ( 0.000 -0.000 -0.000) 0.000 7.791 ( 0.000 -0.000 0.000) 0.000 7.990 ( 0.000 -0.000 -0.000) 0.000 8.133 ( 0.000 -0.000 0.000) 0.000 8.415 ( 0.000 -0.000 0.000) 0.000 8.523 ( 0.000 -0.000 -0.000) 0.000 8.653 ( -2.095 1.309 -4.656) 5.270 8.653 ( 2.095 -1.309 4.656) 5.270 9.125 ( 0.000 -0.000 0.000) 0.000 9.478 ( 0.000 -0.000 0.000) 0.000 9.768 ( 0.000 -0.000 -0.000) 0.000 10.023 ( 0.000 -0.000 0.000) 0.000 10.310 ( -0.000 -0.000 0.000) 0.000 10.321 ( 0.000 0.000 -0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 -0.000 0.000) 0.000 10.815 ( -0.000 -0.000 0.000) 0.000 10.883 ( 0.000 -0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.012 ( 0.000 -0.000 0.000) 0.000 11.339 ( 0.000 -0.000 -0.000) 0.000 11.494 ( 0.000 -0.000 0.000) 0.000 11.794 ( 0.000 -0.000 0.000) 0.000 11.857 ( 0.000 -0.000 0.000) 0.000 12.471 ( 0.000 -0.000 0.000) 0.000 12.603 ( 0.000 -0.000 -0.000) 0.000 12.683 ( 0.000 -0.000 -0.000) 0.000 12.954 ( 0.000 -0.000 0.000) 0.000 16.257 ( 0.000 -0.000 0.000) 0.000 16.318 ( 0.000 -0.000 0.000) 0.000 18.157 ( 0.000 -0.000 0.000) 0.000 18.417 ( 0.000 -0.000 0.000) 0.000 18.685 ( 0.000 0.001 -0.000) 0.001 18.685 ( -0.000 -0.001 0.000) 0.001 18.851 ( 0.000 -0.000 0.000) 0.000 19.271 ( 0.000 -0.000 0.000) 0.000 19.297 ( 0.000 0.000 -0.000) 0.000 19.432 ( 0.000 -0.000 0.000) 0.000 19.702 ( 0.000 -0.000 -0.000) 0.000 20.110 ( -0.000 -0.000 0.000) 0.000 20.887 ( 0.000 -0.000 -0.000) 0.000 21.563 ( 0.000 -0.000 0.000) 0.000 21.881 ( 0.000 0.000 0.000) 0.000 21.956 ( 0.000 -0.000 0.000) 0.000 22.066 ( 0.000 -0.000 0.000) 0.000 22.112 ( -0.000 0.000 0.000) 0.000 23.034 ( 0.000 -0.000 -0.000) 0.000 23.086 ( 0.000 -0.000 0.000) 0.000 23.303 ( 0.000 -0.000 -0.000) 0.000 23.418 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/86) ======================= q-point: ( 0.10 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 20.120 0.000 3.894) 20.494 0.437 ( 25.926 0.000 4.188) 26.262 0.799 ( 47.844 0.000 4.393) 48.045 1.134 ( 8.353 0.000 -1.741) 8.532 1.149 ( 3.264 0.000 -12.526) 12.944 1.752 ( 4.474 0.000 5.118) 6.798 1.790 ( 12.899 0.000 8.760) 15.593 2.066 ( 11.254 0.000 0.450) 11.263 2.136 ( 4.169 0.000 -11.514) 12.246 2.318 ( 5.312 0.000 -1.806) 5.611 2.568 ( 5.286 0.000 2.656) 5.915 2.645 ( 0.857 0.000 -2.508) 2.650 2.763 ( -0.837 -0.000 0.127) 0.846 2.860 ( -3.564 -0.000 -1.644) 3.925 3.153 ( -6.190 -0.000 -2.764) 6.779 3.191 ( -10.018 -0.000 3.164) 10.506 3.337 ( -0.660 -0.000 -3.564) 3.624 3.382 ( 1.017 0.000 0.486) 1.127 3.400 ( 2.315 0.000 -2.587) 3.471 3.544 ( 7.469 0.000 -4.819) 8.889 3.593 ( 3.567 0.000 -2.059) 4.119 3.694 ( -4.746 -0.000 2.784) 5.503 3.842 ( -4.262 -0.000 1.313) 4.460 3.911 ( 2.530 0.000 -1.464) 2.924 3.932 ( 1.025 0.000 -1.097) 1.501 4.314 ( -4.415 -0.000 2.012) 4.852 4.414 ( -3.171 -0.000 -1.050) 3.340 4.456 ( -6.763 -0.000 0.485) 6.780 4.671 ( -8.415 -0.000 3.052) 8.952 4.680 ( -4.900 -0.000 0.431) 4.919 4.797 ( 6.362 0.000 -1.399) 6.514 4.855 ( -0.434 -0.000 2.508) 2.545 4.935 ( -3.370 -0.000 -11.387) 11.876 5.004 ( 4.866 0.000 -4.488) 6.620 5.088 ( 3.852 0.000 -9.707) 10.444 5.152 ( -6.975 -0.000 5.486) 8.874 5.223 ( -8.659 -0.000 2.318) 8.964 5.573 ( -8.098 -0.000 -3.382) 8.776 5.619 ( -9.427 -0.000 2.874) 9.856 5.733 ( -3.657 -0.000 0.543) 3.697 5.735 ( 0.939 0.000 -14.024) 14.055 5.858 ( -5.355 -0.000 8.105) 9.714 6.056 ( 1.728 0.000 4.808) 5.109 6.113 ( 0.981 0.000 -1.018) 1.414 6.308 ( 3.975 0.000 -1.179) 4.146 6.344 ( 13.646 0.000 0.251) 13.648 6.499 ( 12.066 0.000 -0.427) 12.073 6.571 ( 7.774 0.000 -1.393) 7.898 6.789 ( 7.106 0.000 0.973) 7.172 7.187 ( 0.703 0.000 -1.943) 2.066 7.498 ( -0.246 -0.000 3.215) 3.225 7.798 ( 7.297 0.000 -29.958) 30.833 7.901 ( -5.375 -0.000 -3.585) 6.461 8.129 ( -13.875 -0.000 31.766) 34.664 8.237 ( -4.337 -0.000 5.246) 6.806 8.258 ( 6.273 0.000 -2.005) 6.586 8.596 ( 2.218 0.000 -9.314) 9.574 8.647 ( 2.484 0.000 13.177) 13.409 8.667 ( -10.889 -0.000 -0.924) 10.928 8.918 ( 0.235 0.000 6.857) 6.861 9.182 ( 12.110 0.000 -7.255) 14.117 9.581 ( -2.664 -0.000 -10.714) 11.040 9.792 ( 11.911 0.000 -38.946) 40.726 10.128 ( -10.914 -0.000 4.684) 11.876 10.386 ( -7.991 -0.000 0.369) 8.000 10.410 ( -2.921 -0.000 -2.889) 4.108 10.502 ( -0.964 -0.000 -7.199) 7.263 10.505 ( -0.039 -0.000 2.388) 2.388 10.707 ( 7.504 0.000 -5.077) 9.060 10.978 ( 3.287 0.000 4.817) 5.832 10.981 ( 5.195 0.000 -0.705) 5.243 11.211 ( 10.001 0.000 4.492) 10.963 11.573 ( -7.200 -0.000 -1.403) 7.335 11.591 ( -2.372 -0.000 0.314) 2.393 11.908 ( 16.626 0.000 -3.402) 16.971 12.319 ( -3.286 -0.000 0.227) 3.294 12.337 ( 0.706 0.000 -0.835) 1.093 12.636 ( 7.948 0.000 -3.519) 8.692 13.237 ( -3.200 -0.000 0.228) 3.208 13.270 ( -1.110 -0.000 -2.999) 3.198 16.646 ( 10.468 0.000 -60.045) 60.950 16.803 ( -5.932 -0.000 12.301) 13.657 17.911 ( 0.215 0.000 0.653) 0.687 17.932 ( 4.136 0.000 -1.408) 4.369 18.247 ( 10.381 0.000 -3.168) 10.854 18.612 ( 3.080 0.000 -6.088) 6.823 19.457 ( -11.511 -0.000 -1.231) 11.576 19.475 ( -16.540 -0.000 7.863) 18.314 19.894 ( -0.080 -0.000 0.722) 0.727 19.918 ( 9.446 0.000 0.080) 9.446 19.995 ( -3.036 -0.000 0.289) 3.049 20.200 ( 11.295 0.000 10.064) 15.128 20.427 ( 15.832 0.000 0.322) 15.835 21.271 ( 27.982 0.000 -87.203) 91.582 21.994 ( 0.410 0.000 -0.129) 0.430 21.999 ( 0.834 0.000 0.039) 0.835 22.091 ( -16.711 -0.000 54.053) 56.577 22.445 ( -0.134 -0.000 -0.551) 0.567 22.587 ( 0.762 0.000 -5.210) 5.265 22.863 ( -5.370 -0.000 1.992) 5.728 22.909 ( -1.699 -0.000 0.417) 1.750 23.052 ( -3.964 -0.000 0.317) 3.977 ======================= Grid point 13 (8/86) ======================= q-point: ( 0.20 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 18.883 -9.574 -0.801) 21.187 0.779 ( 16.496 -12.903 9.191) 22.871 1.147 ( 4.211 0.404 -2.481) 4.904 1.311 ( 23.388 -8.405 -6.585) 25.710 1.367 ( 25.866 -15.118 -0.849) 29.972 1.730 ( 9.738 5.724 -0.624) 11.313 1.942 ( 14.122 -2.962 11.769) 18.620 2.073 ( 10.232 5.820 -7.531) 13.974 2.202 ( 7.146 -4.401 -2.422) 8.735 2.467 ( 4.285 -9.032 0.588) 10.014 2.601 ( -4.542 -1.206 4.706) 6.651 2.688 ( 6.801 -2.311 -4.742) 8.606 2.736 ( 5.530 0.402 -0.270) 5.552 2.862 ( -2.287 -1.151 0.201) 2.568 3.024 ( -3.259 1.931 -3.930) 5.459 3.199 ( -6.883 -3.797 4.287) 8.954 3.260 ( -4.631 4.932 2.059) 7.072 3.306 ( 1.603 3.779 -1.736) 4.457 3.506 ( -4.266 -5.228 2.686) 7.263 3.546 ( 3.560 -0.283 -3.834) 5.240 3.653 ( -3.242 0.725 -0.586) 3.373 3.741 ( -2.087 -4.017 -2.297) 5.077 3.796 ( -2.419 1.048 -0.745) 2.740 3.877 ( 0.656 5.306 -0.989) 5.437 3.973 ( 1.049 -2.809 3.082) 4.300 4.227 ( -9.083 2.956 3.820) 10.288 4.317 ( -5.123 4.475 -0.630) 6.831 4.420 ( -0.825 0.637 -4.345) 4.469 4.493 ( -4.679 6.179 0.356) 7.759 4.589 ( -5.105 6.850 1.238) 8.632 4.753 ( 0.935 3.717 0.271) 3.842 4.883 ( -0.723 -3.079 -0.587) 3.217 4.917 ( 0.173 -0.061 -4.473) 4.476 5.002 ( 4.537 4.298 -4.112) 7.481 5.085 ( -5.449 -1.256 0.843) 5.655 5.159 ( -8.786 -2.992 4.501) 10.315 5.207 ( -4.409 -4.555 -2.670) 6.879 5.499 ( -6.637 0.349 -3.119) 7.342 5.551 ( -6.266 1.855 3.660) 7.490 5.638 ( -7.048 2.538 0.633) 7.517 5.742 ( 1.271 -2.253 -0.257) 2.600 5.891 ( -1.670 -3.999 0.940) 4.435 6.072 ( 0.683 0.158 0.564) 0.900 6.095 ( -0.807 1.668 -0.686) 1.976 6.328 ( 8.035 1.243 -0.729) 8.163 6.463 ( 9.774 -1.097 -0.123) 9.836 6.536 ( 10.440 1.172 -1.774) 10.654 6.745 ( 0.833 -5.876 6.729) 8.972 6.870 ( 14.235 0.840 -4.414) 14.927 7.214 ( 1.842 -2.123 -2.059) 3.484 7.498 ( 1.590 2.013 3.962) 4.720 7.600 ( 8.761 16.823 -9.495) 21.212 7.823 ( -5.946 2.107 -3.815) 7.372 8.036 ( -1.577 2.508 5.513) 6.259 8.161 ( 0.469 2.945 1.806) 3.486 8.337 ( -4.391 1.203 0.374) 4.568 8.517 ( -7.860 2.780 9.808) 12.873 8.616 ( 1.864 -2.781 -9.657) 10.221 8.776 ( 4.499 -2.253 4.672) 6.866 8.894 ( -0.149 1.956 3.103) 3.671 9.112 ( 12.649 21.862 -8.110) 26.528 9.289 ( 11.483 0.544 -7.658) 13.813 9.767 ( 5.093 0.784 -5.280) 7.378 10.057 ( -11.306 3.466 7.207) 13.849 10.259 ( -10.299 1.255 -0.432) 10.384 10.415 ( -3.165 0.761 1.426) 3.554 10.508 ( -3.998 -2.110 -9.049) 10.116 10.575 ( 1.529 -1.354 1.365) 2.457 10.778 ( 3.902 -5.624 1.394) 6.986 11.000 ( 7.081 2.750 -0.470) 7.611 11.106 ( 1.977 -4.245 0.621) 4.724 11.295 ( 6.606 -0.102 5.131) 8.365 11.491 ( -5.332 1.550 -1.672) 5.799 11.598 ( -3.565 -2.070 -0.604) 4.167 11.978 ( 17.532 6.591 -1.249) 18.772 12.226 ( 9.414 12.601 -1.632) 15.813 12.330 ( 0.625 1.182 -0.050) 1.338 12.395 ( 8.608 10.501 0.608) 13.592 13.218 ( -1.411 2.397 -0.319) 2.800 13.248 ( -6.196 0.859 -0.254) 6.260 16.417 ( 6.363 9.247 -15.860) 19.430 16.726 ( -5.927 7.093 7.881) 12.147 17.929 ( -1.211 -2.820 -0.167) 3.073 18.036 ( 6.128 -4.753 -0.827) 7.799 18.132 ( 7.149 1.314 0.651) 7.298 18.916 ( 4.071 -7.542 -4.693) 9.771 19.321 ( -10.107 1.905 0.761) 10.313 19.516 ( -14.890 -8.880 -0.198) 17.338 19.756 ( 1.574 10.934 -1.211) 11.113 19.830 ( -4.937 9.878 1.822) 11.192 20.003 ( 4.384 0.564 -3.361) 5.553 20.297 ( 12.505 3.730 13.736) 18.947 20.437 ( 23.914 9.623 -2.563) 25.904 21.070 ( 17.370 3.754 -20.342) 27.011 21.766 ( 1.450 -0.755 9.261) 9.404 21.973 ( 2.224 2.702 -0.983) 3.635 22.339 ( -3.334 5.025 -0.488) 6.051 22.475 ( -6.100 -1.814 5.413) 8.355 22.638 ( 1.278 -4.069 -3.256) 5.365 22.948 ( -3.820 -7.310 -1.212) 8.337 23.062 ( -5.256 -4.770 0.943) 7.160 23.194 ( -21.118 -22.231 -2.890) 30.798 ======================= Grid point 14 (9/86) ======================= q-point: ( 0.30 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 15.486 -11.270 -2.505) 19.316 1.089 ( 9.414 -1.673 9.898) 13.762 1.251 ( 4.206 -12.775 5.153) 14.403 1.460 ( 15.511 1.993 -15.015) 21.680 1.815 ( 13.900 -7.662 -1.188) 15.917 1.838 ( 10.953 -6.004 2.576) 12.754 2.114 ( 12.782 -4.800 -4.977) 14.532 2.183 ( 14.944 -8.116 5.044) 17.737 2.310 ( 6.064 -1.875 -3.432) 7.216 2.585 ( -0.826 -0.234 4.837) 4.913 2.631 ( -3.522 -2.307 2.471) 4.882 2.753 ( 1.541 -1.188 2.059) 2.833 2.841 ( 6.874 -5.472 -0.396) 8.795 2.910 ( 6.844 -4.568 -2.534) 8.610 3.060 ( -1.885 -5.717 -4.130) 7.300 3.125 ( -5.957 3.085 1.198) 6.815 3.221 ( -1.892 -0.811 3.863) 4.377 3.232 ( -1.871 3.335 -1.093) 3.978 3.527 ( -5.969 -0.732 2.103) 6.371 3.567 ( -0.726 -0.900 -3.570) 3.753 3.613 ( -3.842 0.168 0.892) 3.948 3.700 ( -0.755 6.977 -2.211) 7.357 3.733 ( -1.312 0.004 -0.077) 1.315 3.786 ( -2.138 1.931 -2.443) 3.778 3.950 ( -5.943 5.421 7.284) 10.852 4.100 ( -5.796 3.585 -0.830) 6.866 4.273 ( 0.145 -1.270 -0.337) 1.322 4.288 ( -6.816 6.967 0.020) 9.746 4.392 ( -5.560 1.476 -0.291) 5.760 4.565 ( 1.283 -5.347 -2.831) 6.184 4.691 ( -1.019 2.479 2.134) 3.426 4.845 ( 1.311 4.096 -7.052) 8.260 4.973 ( 2.084 -1.964 -2.513) 3.810 4.991 ( -8.980 -0.914 4.672) 10.164 5.007 ( 2.254 -0.008 1.497) 2.706 5.167 ( -3.568 -0.000 0.804) 3.657 5.233 ( -6.420 -2.830 -2.595) 7.481 5.445 ( -8.168 -0.922 -0.095) 8.220 5.476 ( 2.133 2.997 1.596) 4.010 5.595 ( -6.343 -3.020 1.319) 7.148 5.833 ( 2.685 -4.180 0.332) 4.980 5.927 ( -2.397 -1.200 0.002) 2.681 6.065 ( -0.167 0.326 2.364) 2.392 6.069 ( 2.614 0.959 -2.288) 3.604 6.371 ( 9.128 1.664 -0.181) 9.280 6.523 ( 5.160 1.138 0.263) 5.291 6.611 ( 8.771 -0.687 -1.771) 8.975 6.794 ( 0.861 2.212 6.873) 7.272 6.929 ( 7.381 1.276 -2.292) 7.833 7.183 ( 5.150 12.063 -2.123) 13.287 7.396 ( 9.974 4.922 -5.182) 12.270 7.495 ( -3.215 0.784 2.160) 3.952 7.738 ( -4.304 1.055 -1.376) 4.640 8.016 ( 8.063 3.385 -2.171) 9.010 8.137 ( -5.136 2.628 2.374) 6.238 8.216 ( -1.564 1.107 -5.357) 5.690 8.444 ( -5.515 2.630 13.819) 15.109 8.638 ( -0.688 1.284 -5.075) 5.280 8.737 ( -1.413 4.155 -1.925) 4.792 8.858 ( 2.168 11.130 -1.077) 11.390 8.970 ( 0.571 -5.646 3.638) 6.741 9.389 ( 11.456 -2.220 -7.017) 13.616 9.791 ( 2.785 0.090 -1.027) 2.969 9.898 ( -7.181 4.217 5.080) 9.755 10.202 ( -6.104 -1.587 2.277) 6.706 10.384 ( -0.895 0.775 -1.739) 2.104 10.501 ( -2.289 -1.852 -5.946) 6.635 10.602 ( -1.753 -1.442 3.224) 3.943 10.908 ( 3.294 -3.754 1.461) 5.203 10.988 ( 8.242 4.592 -0.848) 9.473 11.140 ( 3.434 3.012 0.376) 4.583 11.306 ( 0.119 2.578 0.817) 2.707 11.452 ( 0.052 0.625 1.635) 1.751 11.596 ( -3.638 -0.660 -1.422) 3.962 11.926 ( 13.289 10.249 -0.358) 16.786 12.080 ( 16.092 13.044 -0.133) 20.715 12.307 ( -0.553 -0.205 -0.238) 0.636 12.365 ( -1.694 -2.049 0.195) 2.665 13.120 ( -3.291 6.086 0.061) 6.920 13.155 ( -4.774 3.278 0.056) 5.792 16.316 ( 1.689 3.273 -5.084) 6.278 16.548 ( -5.048 7.165 4.197) 9.718 17.985 ( -2.043 -4.229 -0.121) 4.699 18.188 ( 5.940 -6.022 -0.616) 8.481 18.253 ( 4.914 -6.296 0.646) 8.013 18.953 ( 2.863 3.118 -1.229) 4.408 19.182 ( -8.980 5.536 0.524) 10.562 19.483 ( 2.380 8.362 -0.077) 8.694 19.593 ( -6.579 8.805 1.424) 11.083 19.600 ( -4.079 1.805 -0.275) 4.469 19.983 ( 1.008 2.633 -6.789) 7.352 20.276 ( 9.610 8.766 7.001) 14.772 20.529 ( 14.485 -2.454 0.693) 14.708 21.222 ( 9.681 -7.456 -5.283) 13.312 21.847 ( 0.883 -3.808 2.956) 4.901 21.967 ( 3.170 -0.158 -0.064) 3.175 22.190 ( -2.769 7.097 -0.429) 7.630 22.404 ( -4.245 4.548 1.938) 6.516 22.735 ( 2.140 -5.221 -1.952) 5.971 23.051 ( -4.013 -6.054 0.132) 7.265 23.132 ( -4.149 -5.776 0.942) 7.174 23.322 ( -15.216 -9.086 -1.762) 17.810 ======================= Grid point 15 (10/86) ======================= q-point: ( 0.40 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 12.811 -3.708 -8.266) 15.691 1.225 ( 9.179 -6.140 3.986) 11.740 1.528 ( 12.892 -1.508 -5.345) 14.037 1.563 ( 2.383 -12.493 6.960) 14.498 1.932 ( 0.726 -3.588 0.499) 3.694 2.053 ( 7.760 -5.378 2.902) 9.877 2.256 ( 2.319 0.475 -1.577) 2.844 2.334 ( 1.552 -2.134 -1.222) 2.908 2.510 ( 13.193 -8.485 1.818) 15.791 2.552 ( 1.261 2.059 -2.493) 3.471 2.646 ( -2.969 -1.842 3.323) 4.822 2.778 ( 0.108 1.126 0.137) 1.139 2.962 ( 5.924 0.662 -0.953) 6.037 2.998 ( 2.435 -0.809 -1.304) 2.878 3.108 ( -5.544 -1.920 2.512) 6.382 3.131 ( -1.048 -5.341 -3.706) 6.584 3.204 ( 1.241 -3.850 -0.001) 4.045 3.229 ( 0.254 -0.205 2.889) 2.907 3.497 ( -0.717 -0.675 -2.717) 2.890 3.507 ( -1.896 3.880 -0.512) 4.348 3.587 ( -1.638 4.395 2.826) 5.475 3.625 ( -2.267 -0.164 -0.789) 2.406 3.693 ( -1.501 1.262 -0.041) 1.961 3.780 ( -0.136 -2.396 -0.354) 2.426 3.849 ( -0.507 1.590 2.516) 3.019 4.018 ( -5.037 -0.441 -2.773) 5.767 4.112 ( -3.697 4.701 0.571) 6.008 4.295 ( -4.914 0.318 -1.791) 5.240 4.324 ( -6.034 -1.143 2.728) 6.719 4.607 ( -8.676 0.166 3.449) 9.338 4.714 ( 4.759 -1.973 -2.589) 5.766 4.794 ( 1.700 -0.359 -5.760) 6.016 4.895 ( -6.445 0.438 4.413) 7.823 5.048 ( -3.625 -0.457 -1.409) 3.915 5.078 ( 2.075 -4.278 -4.177) 6.329 5.117 ( 1.759 0.437 1.687) 2.476 5.224 ( -0.190 0.367 1.309) 1.373 5.415 ( -5.867 -1.973 2.487) 6.670 5.477 ( 1.630 -0.391 -0.797) 1.856 5.628 ( -3.977 -3.628 0.103) 5.384 5.836 ( -2.230 3.026 0.862) 3.857 5.985 ( 1.581 -3.875 -0.722) 4.247 6.072 ( 1.934 -0.543 -0.553) 2.083 6.104 ( 6.215 -0.736 0.394) 6.270 6.400 ( 7.913 2.504 0.646) 8.325 6.484 ( 1.961 6.966 1.309) 7.355 6.660 ( 2.961 1.108 -0.544) 3.208 6.760 ( 1.274 1.493 3.180) 3.737 6.921 ( 5.081 9.096 -3.137) 10.881 6.969 ( 3.210 5.508 -1.288) 6.504 7.376 ( 0.911 2.876 -0.626) 3.081 7.439 ( -4.852 1.663 -0.167) 5.132 7.720 ( 0.684 -0.041 0.144) 0.701 7.956 ( 0.804 7.643 -1.831) 7.901 8.050 ( 7.866 2.076 -2.667) 8.561 8.278 ( -0.852 -5.565 -4.636) 7.293 8.363 ( -2.965 7.301 15.132) 17.061 8.562 ( -1.143 3.102 -2.651) 4.238 8.638 ( -5.811 2.600 0.682) 6.403 8.695 ( -5.847 2.349 -3.940) 7.432 9.080 ( 3.594 -3.026 1.513) 4.936 9.493 ( 7.674 -0.806 -4.373) 8.869 9.758 ( 0.068 2.030 2.224) 3.012 9.895 ( -1.282 -4.469 0.211) 4.654 10.218 ( -2.866 -2.653 3.688) 5.372 10.364 ( 0.341 0.518 -2.978) 3.042 10.514 ( -1.550 -2.119 -2.960) 3.957 10.623 ( -4.246 -2.736 2.526) 5.648 10.943 ( 7.219 5.735 -0.798) 9.254 10.966 ( 4.471 3.032 0.166) 5.405 11.071 ( 0.888 3.920 0.596) 4.064 11.247 ( 4.055 5.383 0.293) 6.746 11.413 ( 0.317 4.155 1.145) 4.321 11.561 ( -2.528 1.488 -0.889) 3.066 11.861 ( 6.515 4.166 -0.129) 7.734 11.958 ( 9.983 9.979 0.010) 14.115 12.352 ( 0.189 -4.167 0.069) 4.172 12.418 ( -0.181 -4.309 -0.297) 4.323 12.951 ( -4.369 7.850 -0.134) 8.985 13.054 ( -3.760 3.737 0.454) 5.321 16.275 ( -0.096 1.027 -2.174) 2.406 16.406 ( -4.485 4.427 2.005) 6.613 18.054 ( -0.906 -4.181 -0.125) 4.280 18.324 ( 2.029 -4.274 -0.690) 4.782 18.419 ( 3.700 -7.002 0.753) 7.955 18.903 ( 3.209 3.656 -0.559) 4.896 18.982 ( -5.710 8.015 0.336) 9.847 19.340 ( 0.482 6.835 -0.844) 6.904 19.434 ( -2.215 3.533 1.904) 4.584 19.546 ( 0.273 3.797 1.528) 4.102 19.893 ( 1.915 6.172 -5.400) 8.421 20.180 ( -0.895 5.723 2.474) 6.299 20.717 ( 11.383 -5.506 0.842) 12.673 21.408 ( 3.920 -6.419 -1.373) 7.646 21.920 ( 0.390 -2.889 0.191) 2.922 22.003 ( 1.433 -0.473 0.195) 1.522 22.042 ( -1.384 6.060 0.558) 6.241 22.274 ( -3.058 5.551 0.699) 6.376 22.859 ( 2.988 -5.836 -1.666) 6.765 23.102 ( -3.812 -2.388 1.544) 4.756 23.211 ( -2.296 -4.843 -0.353) 5.372 23.345 ( -9.457 -4.644 -0.501) 10.548 ======================= Grid point 16 (11/86) ======================= q-point: ( 0.50 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 10.563 4.399 -9.392) 14.804 1.457 ( 7.025 -8.490 0.625) 11.037 1.671 ( 4.933 -4.688 -0.221) 6.809 1.779 ( 2.127 -6.452 7.202) 9.901 1.952 ( -4.929 1.210 3.188) 5.994 2.117 ( -0.620 5.632 5.561) 7.940 2.221 ( 2.228 -0.179 -1.527) 2.707 2.374 ( 4.340 1.169 -5.144) 6.831 2.527 ( -7.740 -4.915 -1.004) 9.223 2.671 ( 2.198 -2.258 -0.060) 3.152 2.688 ( -5.541 0.036 0.522) 5.566 2.788 ( 10.575 -6.698 -2.159) 12.702 2.947 ( -2.662 4.317 -0.785) 5.132 3.012 ( 2.616 -1.466 1.836) 3.516 3.106 ( -3.367 2.587 -0.870) 4.335 3.140 ( 0.779 -1.540 -0.214) 1.739 3.263 ( 3.317 0.089 -3.003) 4.475 3.312 ( -1.511 4.240 2.974) 5.395 3.392 ( 1.171 1.731 2.732) 3.440 3.468 ( -3.450 2.134 3.198) 5.166 3.555 ( 2.104 -1.459 -3.342) 4.210 3.602 ( -0.005 -2.716 -1.873) 3.299 3.701 ( -0.876 1.408 1.137) 2.011 3.806 ( -5.038 -0.057 2.859) 5.793 3.885 ( 2.513 -6.265 -4.370) 8.041 4.020 ( 1.926 0.227 0.274) 1.958 4.088 ( -1.141 -4.455 -4.383) 6.353 4.238 ( -8.008 -1.032 1.740) 8.259 4.339 ( -1.562 -2.679 2.453) 3.954 4.539 ( -6.220 0.219 4.132) 7.471 4.691 ( -4.114 2.512 0.439) 4.840 4.835 ( 1.444 -2.381 -6.066) 6.675 4.921 ( 2.939 -2.575 4.164) 5.710 4.986 ( -4.108 0.963 -2.488) 4.898 5.089 ( -1.827 2.373 -1.752) 3.470 5.196 ( 8.154 -2.158 -0.120) 8.435 5.278 ( 2.847 -4.564 0.599) 5.413 5.433 ( -1.790 -1.957 1.765) 3.186 5.492 ( -0.259 -0.394 -0.071) 0.477 5.644 ( -4.974 -1.368 0.201) 5.163 5.769 ( 1.377 2.958 0.128) 3.266 6.029 ( -2.924 -1.972 1.519) 3.840 6.087 ( 2.344 1.282 -1.164) 2.914 6.200 ( 6.173 -2.903 -1.571) 7.000 6.306 ( -1.765 10.022 1.037) 10.229 6.398 ( 3.553 4.031 2.256) 5.828 6.605 ( 0.312 5.456 -1.079) 5.571 6.720 ( 1.170 4.919 -1.018) 5.158 6.804 ( -0.182 0.301 -1.820) 1.854 6.958 ( -0.276 0.513 1.800) 1.892 7.312 ( -2.456 2.260 1.078) 3.507 7.388 ( -1.289 -0.063 -1.154) 1.731 7.715 ( -0.779 0.886 -0.127) 1.187 7.832 ( -0.467 4.840 -2.613) 5.520 8.086 ( 9.667 3.866 -2.983) 10.830 8.172 ( -4.758 6.908 5.631) 10.103 8.357 ( -2.162 -3.974 1.400) 4.735 8.527 ( 0.466 -0.075 1.358) 1.437 8.629 ( -2.588 -1.187 -0.888) 2.982 8.633 ( -0.615 -1.949 -2.042) 2.889 9.147 ( 5.169 -0.184 0.488) 5.196 9.505 ( 1.733 1.981 -0.974) 2.806 9.767 ( 2.155 -0.658 0.001) 2.253 9.976 ( -1.482 -4.213 -0.346) 4.480 10.256 ( -2.077 -2.075 2.980) 4.183 10.354 ( 0.681 0.582 -2.226) 2.399 10.548 ( -1.484 -3.471 -0.965) 3.897 10.653 ( -6.318 -4.015 1.446) 7.624 10.845 ( 4.445 7.413 -2.334) 8.953 10.914 ( 3.279 3.784 1.279) 5.168 11.039 ( 2.315 2.936 2.577) 4.541 11.149 ( 8.434 9.533 -1.842) 12.861 11.349 ( -0.889 1.636 0.277) 1.883 11.497 ( -3.085 1.960 -0.343) 3.671 11.847 ( 3.477 2.738 0.428) 4.446 11.882 ( 3.459 3.193 -0.394) 4.724 12.438 ( 0.660 -3.616 -0.054) 3.676 12.524 ( 1.498 -5.886 -0.165) 6.076 12.769 ( -3.332 7.299 -0.402) 8.033 12.965 ( -3.227 2.353 0.702) 4.055 16.256 ( -1.132 0.347 -1.520) 1.927 16.320 ( -3.439 1.440 1.442) 3.998 18.125 ( 0.882 -3.163 -0.143) 3.287 18.384 ( -1.455 -2.483 -0.385) 2.904 18.565 ( 1.359 -5.438 1.388) 5.774 18.815 ( -1.526 6.340 -1.109) 6.615 18.871 ( 2.737 1.960 -1.175) 3.566 19.267 ( 1.251 1.044 2.212) 2.747 19.394 ( 2.164 3.015 2.414) 4.427 19.463 ( 1.202 4.303 -1.957) 4.878 19.772 ( 0.778 6.231 -2.078) 6.614 20.069 ( -9.246 1.590 0.512) 9.396 20.901 ( 11.652 -3.367 0.402) 12.135 21.516 ( -0.826 -3.866 -0.382) 3.972 21.920 ( -1.028 3.722 -0.409) 3.883 21.965 ( -0.294 0.114 1.663) 1.693 22.024 ( 0.345 -1.370 -2.233) 2.643 22.168 ( -1.110 3.880 1.587) 4.337 22.986 ( 3.072 -4.903 -1.758) 6.047 23.095 ( -2.683 0.630 1.453) 3.115 23.269 ( -1.930 -2.874 0.233) 3.470 23.368 ( -3.636 -3.661 -0.329) 5.170 ======================= Grid point 17 (12/86) ======================= q-point: (-0.40 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 6.001 4.193 -2.121) 7.622 1.537 ( 1.230 6.860 1.547) 7.139 1.731 ( -2.187 1.663 -3.758) 4.655 1.781 ( -1.377 10.504 0.962) 10.637 1.924 ( -4.846 -7.888 8.166) 12.344 2.007 ( 1.839 2.944 -2.075) 4.044 2.235 ( 0.958 1.836 0.655) 2.171 2.362 ( -1.616 -1.020 -2.519) 3.162 2.581 ( -3.742 -4.005 -0.343) 5.491 2.625 ( -2.604 2.430 -0.550) 3.604 2.757 ( -0.437 4.590 -0.123) 4.612 2.835 ( -1.159 2.023 -1.141) 2.596 2.950 ( -1.314 -4.475 3.555) 5.865 3.036 ( -0.078 0.881 0.177) 0.902 3.056 ( 4.715 0.929 -1.695) 5.096 3.130 ( -3.088 1.620 1.892) 3.968 3.144 ( -0.328 0.720 -1.520) 1.714 3.303 ( 1.454 -1.386 -2.809) 3.453 3.390 ( 2.247 -1.207 -1.497) 2.958 3.500 ( 0.661 -3.020 0.083) 3.093 3.555 ( -5.549 2.515 2.500) 6.586 3.597 ( 3.086 3.462 -0.080) 4.639 3.699 ( 0.137 -2.450 3.085) 3.942 3.808 ( -2.930 -3.328 -3.605) 5.714 3.962 ( -1.149 4.133 0.868) 4.376 3.996 ( 1.766 -0.335 -0.554) 1.881 4.188 ( 4.595 -3.522 -2.013) 6.130 4.241 ( -4.762 -3.868 2.527) 6.635 4.430 ( 2.302 -6.854 -0.454) 7.244 4.535 ( -4.814 -2.329 2.449) 5.882 4.607 ( -2.348 1.778 0.302) 2.961 4.907 ( 5.077 -3.213 -3.905) 7.166 4.924 ( -2.210 0.820 -3.759) 4.437 5.000 ( 1.722 4.879 -0.298) 5.182 5.028 ( 3.066 -1.974 6.617) 7.556 5.299 ( 6.251 -2.304 -3.310) 7.439 5.387 ( -1.444 -4.138 -0.230) 4.389 5.429 ( 3.881 4.052 3.253) 6.486 5.492 ( -0.809 -0.323 0.534) 1.022 5.615 ( -6.437 -1.585 -0.432) 6.644 5.752 ( 3.518 0.680 -0.841) 3.680 6.029 ( -1.603 1.607 1.361) 2.646 6.059 ( -5.053 0.762 1.462) 5.315 6.107 ( -3.234 5.897 -2.816) 7.291 6.253 ( -0.496 0.710 0.047) 0.867 6.303 ( -2.743 4.496 0.579) 5.298 6.544 ( 1.435 0.778 1.750) 2.393 6.680 ( 0.436 0.779 -3.019) 3.148 6.773 ( -5.805 -0.044 -0.110) 5.806 6.928 ( -1.368 2.696 1.680) 3.458 7.291 ( 0.303 -0.848 0.111) 0.908 7.436 ( 2.478 -4.371 0.238) 5.030 7.670 ( -2.473 1.921 -3.017) 4.348 7.761 ( -4.146 -0.659 -1.013) 4.319 7.928 ( -4.786 7.306 7.473) 11.494 8.226 ( 9.622 -3.391 -11.587) 15.438 8.398 ( -3.456 -1.589 8.247) 9.082 8.544 ( 0.684 -0.480 1.306) 1.550 8.648 ( 4.851 -1.921 -4.556) 6.926 8.712 ( 2.559 -3.175 2.518) 4.793 9.180 ( 6.454 1.351 -0.457) 6.610 9.469 ( -1.336 1.672 -0.421) 2.181 9.778 ( 0.873 1.181 1.527) 2.118 10.008 ( -1.494 -0.277 -1.391) 2.060 10.264 ( -4.046 -0.840 1.657) 4.452 10.325 ( 0.332 2.571 -1.353) 2.924 10.620 ( -0.737 -4.369 -0.252) 4.438 10.664 ( -2.283 -1.233 -0.490) 2.641 10.796 ( -5.088 -2.518 2.344) 6.142 10.904 ( 8.125 1.761 -1.474) 8.443 10.977 ( 3.116 5.952 1.099) 6.808 11.044 ( 4.189 5.145 -0.838) 6.687 11.340 ( 0.389 -0.811 -0.166) 0.915 11.467 ( -3.148 -1.713 -0.250) 3.592 11.807 ( 1.424 3.093 0.164) 3.409 11.857 ( -0.060 1.739 0.018) 1.740 12.470 ( -0.071 1.081 0.110) 1.089 12.579 ( -2.203 3.324 0.183) 3.992 12.708 ( 2.524 -5.069 -1.043) 5.758 12.942 ( -1.497 -2.258 0.794) 2.823 16.228 ( -2.989 0.333 -0.236) 3.017 16.309 ( -1.137 -1.587 0.192) 1.962 18.184 ( 3.368 -1.258 -0.214) 3.602 18.415 ( -1.493 -1.966 1.131) 2.716 18.636 ( -2.339 -1.640 -0.101) 2.859 18.696 ( -0.043 5.421 -2.370) 5.916 18.883 ( 2.650 -1.795 1.503) 3.536 19.293 ( -0.587 4.852 0.129) 4.889 19.324 ( 6.127 -1.117 0.657) 6.263 19.462 ( 4.023 -0.969 -0.814) 4.217 19.674 ( -3.437 2.233 0.008) 4.098 19.987 ( -13.211 -2.363 0.045) 13.420 21.008 ( 12.859 2.758 0.020) 13.152 21.531 ( -4.251 0.866 0.064) 4.339 21.868 ( -1.096 -0.427 -0.609) 1.325 21.963 ( 0.275 0.089 1.543) 1.570 22.055 ( -0.616 -1.050 -2.026) 2.364 22.117 ( 0.176 0.198 1.061) 1.094 23.021 ( -1.289 3.214 0.746) 3.542 23.105 ( 2.106 -3.226 -1.441) 4.113 23.293 ( -1.423 -0.950 1.049) 2.007 23.427 ( 1.015 -3.472 -0.367) 3.636 ======================= Grid point 18 (13/86) ======================= q-point: (-0.30 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 1.920 3.629 5.182) 6.611 1.263 ( -3.499 16.160 -1.619) 16.613 1.507 ( -3.770 12.128 -1.818) 12.830 1.644 ( -1.117 6.862 1.314) 7.075 1.943 ( -3.217 3.780 -0.460) 4.985 2.108 ( -1.433 -6.181 -3.492) 7.242 2.158 ( 1.265 2.185 -0.947) 2.696 2.302 ( -5.858 8.652 2.111) 10.659 2.458 ( -2.803 15.674 -2.836) 16.173 2.516 ( -5.282 3.109 5.635) 8.326 2.654 ( -1.245 -4.177 -2.767) 5.163 2.851 ( -4.242 3.897 -0.055) 5.761 2.904 ( 1.983 4.073 1.894) 4.910 2.961 ( -4.966 2.171 2.559) 5.993 3.111 ( -0.660 -3.928 1.386) 4.217 3.153 ( -1.802 -0.236 -2.212) 2.863 3.246 ( 7.760 -8.683 -4.688) 12.554 3.325 ( 2.157 2.572 -0.931) 3.484 3.456 ( 0.162 2.565 3.843) 4.623 3.502 ( 2.260 -5.004 -0.086) 5.491 3.548 ( -1.399 -2.668 1.026) 3.182 3.619 ( 7.632 -3.509 -7.176) 11.048 3.739 ( -0.935 -0.736 4.525) 4.678 3.807 ( -3.125 1.002 -1.110) 3.465 3.872 ( -1.119 1.371 -0.237) 1.786 4.005 ( 1.320 -0.592 -0.064) 1.449 4.239 ( 0.392 -0.147 7.192) 7.204 4.306 ( 3.549 -2.400 -3.714) 5.670 4.492 ( -9.804 -0.727 0.588) 9.848 4.607 ( 0.644 -8.373 -0.536) 8.415 4.632 ( 9.726 1.464 -0.740) 9.863 4.880 ( 0.737 3.197 -4.031) 5.198 4.943 ( -1.191 -0.101 1.116) 1.635 4.998 ( 5.848 -1.741 -2.330) 6.531 5.046 ( -2.831 2.697 6.100) 7.245 5.308 ( 2.680 3.757 -2.620) 5.306 5.407 ( 0.960 -0.197 -0.073) 0.983 5.435 ( 7.388 0.545 0.290) 7.414 5.474 ( -0.888 0.823 1.367) 1.826 5.629 ( -7.290 -4.306 0.277) 8.471 5.787 ( -0.075 -1.039 -3.019) 3.194 5.929 ( 1.698 2.460 0.386) 3.014 6.032 ( -1.031 1.608 -0.626) 2.011 6.037 ( -3.824 -1.696 1.736) 4.529 6.200 ( -6.710 1.848 0.570) 6.983 6.264 ( -6.042 -4.023 -0.726) 7.295 6.547 ( -1.929 0.733 1.753) 2.708 6.639 ( -3.724 0.486 -0.046) 3.755 6.770 ( -2.618 -2.934 0.847) 4.022 6.848 ( -2.249 3.651 -0.970) 4.397 7.316 ( 0.061 -0.781 -0.923) 1.211 7.550 ( 3.441 -1.902 2.454) 4.634 7.637 ( -1.462 -3.273 -4.394) 5.670 7.808 ( -4.406 -8.265 0.061) 9.366 7.823 ( -2.170 2.457 5.210) 6.155 8.285 ( 0.970 0.607 -7.416) 7.504 8.436 ( 2.840 -2.128 3.129) 4.732 8.580 ( 1.921 -1.984 1.489) 3.138 8.723 ( 6.515 -1.603 -3.637) 7.631 8.783 ( 1.288 -1.296 3.810) 4.226 9.196 ( 7.125 2.467 -2.312) 7.886 9.407 ( -5.071 2.845 2.484) 6.323 9.759 ( 2.267 1.241 -0.580) 2.648 9.947 ( -3.305 4.314 0.326) 5.445 10.253 ( -2.333 -1.117 0.543) 2.643 10.286 ( -0.788 0.196 -0.878) 1.196 10.652 ( 3.429 0.437 -0.118) 3.458 10.720 ( -2.124 -4.453 0.370) 4.947 10.804 ( -2.205 0.490 0.148) 2.264 10.864 ( -1.415 2.858 -0.195) 3.195 11.004 ( 3.115 -4.472 -0.305) 5.458 11.031 ( 2.494 -0.887 0.263) 2.660 11.381 ( 1.351 -2.625 -0.020) 2.952 11.503 ( -3.298 -4.370 -0.359) 5.486 11.752 ( -0.416 3.138 -0.084) 3.166 11.810 ( -1.317 2.294 0.235) 2.656 12.410 ( -0.739 3.747 0.252) 3.828 12.494 ( -0.338 3.666 -0.028) 3.681 12.860 ( 1.458 -7.941 -0.793) 8.112 13.021 ( 0.638 -5.514 0.602) 5.583 16.205 ( -3.290 -0.457 0.641) 3.383 16.350 ( -0.513 -3.340 -0.656) 3.442 18.230 ( 7.027 0.505 -0.541) 7.066 18.409 ( -0.333 3.616 2.353) 4.327 18.559 ( 0.117 8.272 -2.211) 8.563 18.623 ( -7.798 -2.178 -0.388) 8.106 19.005 ( 5.524 -6.882 2.329) 9.126 19.231 ( -2.513 -1.990 -2.600) 4.128 19.417 ( 4.260 -2.003 1.188) 4.855 19.521 ( 5.958 -1.016 -0.571) 6.071 19.657 ( -4.568 -4.497 0.634) 6.442 19.946 ( -13.875 -4.444 0.007) 14.570 20.999 ( 14.288 9.144 -0.490) 16.970 21.402 ( -8.839 6.865 0.639) 11.210 21.931 ( 0.156 -5.706 -1.140) 5.821 21.955 ( 0.275 1.417 -0.075) 1.445 22.015 ( -1.357 2.770 1.536) 3.445 22.201 ( 1.189 -6.765 -0.829) 6.918 22.925 ( -1.241 5.422 0.767) 5.615 23.169 ( 2.051 -1.652 -1.412) 2.989 23.289 ( -0.260 0.861 0.882) 1.260 23.512 ( 3.474 -3.524 0.060) 4.949 ======================= Grid point 19 (14/86) ======================= q-point: (-0.20 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -2.108 7.138 -1.410) 7.575 1.047 ( -2.226 15.729 1.786) 15.986 1.305 ( -1.810 7.842 1.021) 8.113 1.509 ( 1.218 5.288 1.878) 5.742 1.808 ( -2.927 7.643 -0.390) 8.194 1.899 ( -1.655 16.605 -3.545) 17.059 2.015 ( -5.235 12.310 -0.321) 13.381 2.057 ( -7.681 19.068 1.529) 20.613 2.371 ( 1.889 -10.138 -1.274) 10.391 2.447 ( -1.241 3.956 2.311) 4.746 2.686 ( -0.178 1.768 -5.215) 5.510 2.709 ( -5.943 3.658 3.705) 7.901 2.793 ( -2.665 3.666 1.878) 4.906 2.959 ( 3.965 2.568 -2.015) 5.135 3.118 ( -2.816 1.075 1.076) 3.200 3.175 ( -1.496 -1.274 1.257) 2.332 3.264 ( 1.762 3.707 0.753) 4.173 3.327 ( 2.576 4.880 -2.631) 6.113 3.486 ( 1.329 -8.486 0.699) 8.618 3.595 ( -0.275 -2.895 0.427) 2.939 3.635 ( 1.192 -2.809 -1.285) 3.310 3.722 ( 1.457 1.554 0.270) 2.148 3.773 ( 1.350 -6.350 3.500) 7.376 3.802 ( 2.225 -3.742 -3.768) 5.758 3.917 ( 3.473 -5.169 -3.504) 7.146 4.066 ( -2.138 -4.630 3.156) 5.997 4.273 ( 3.799 -0.536 3.761) 5.372 4.333 ( 0.789 0.921 -1.703) 2.091 4.452 ( -6.687 -2.721 -1.032) 7.293 4.617 ( 4.411 3.977 0.238) 5.944 4.741 ( 2.904 -1.157 4.469) 5.454 4.775 ( 0.491 5.942 -4.191) 7.288 4.936 ( -5.733 2.012 1.286) 6.210 5.000 ( -0.220 -4.943 0.888) 5.027 5.078 ( 3.371 -1.853 -1.193) 4.027 5.268 ( 3.209 1.598 -6.573) 7.487 5.365 ( -2.771 1.787 4.412) 5.508 5.456 ( 4.020 3.020 2.340) 5.546 5.554 ( 5.540 -4.769 0.270) 7.315 5.645 ( -4.689 -3.291 -1.538) 5.931 5.757 ( -1.931 0.885 -2.158) 3.028 5.961 ( -0.599 -0.808 1.272) 1.622 6.024 ( 2.049 -1.129 -0.982) 2.537 6.097 ( 0.438 -3.505 1.825) 3.976 6.135 ( -1.124 -0.522 -2.354) 2.660 6.279 ( -10.572 -3.515 0.596) 11.157 6.474 ( -2.733 3.697 0.720) 4.653 6.660 ( -6.740 -5.458 3.203) 9.246 6.756 ( -0.139 2.415 -0.857) 2.566 6.834 ( -1.211 -3.530 -0.775) 3.812 7.303 ( -1.191 1.413 -0.307) 1.873 7.558 ( 1.042 1.059 -0.533) 1.578 7.743 ( 1.239 -6.015 -0.449) 6.158 7.810 ( -1.957 -2.020 2.827) 3.988 7.998 ( -1.077 -12.792 -0.647) 12.854 8.223 ( -1.083 3.603 -1.112) 3.923 8.509 ( 4.100 -1.951 -2.219) 5.054 8.639 ( 0.920 -2.177 1.180) 2.641 8.758 ( 1.279 2.664 -1.088) 3.149 8.807 ( 1.166 -1.121 1.834) 2.445 9.177 ( 6.399 4.542 -4.221) 8.910 9.279 ( -7.045 6.202 5.074) 10.669 9.785 ( 3.003 1.255 -1.389) 3.539 9.849 ( -3.421 -1.810 0.686) 3.931 10.277 ( 1.673 -1.073 -0.775) 2.133 10.305 ( -2.044 -3.293 0.537) 3.913 10.681 ( 5.482 0.885 1.072) 5.655 10.738 ( 1.864 3.632 -0.429) 4.105 10.771 ( -3.321 -2.514 -0.533) 4.199 10.848 ( -4.618 -2.562 0.436) 5.299 11.078 ( 0.035 -2.231 -1.121) 2.497 11.114 ( 1.436 -4.289 0.530) 4.554 11.455 ( 1.329 -3.814 -0.290) 4.050 11.566 ( -4.710 -5.250 0.520) 7.072 11.688 ( -1.149 2.368 -0.318) 2.651 11.762 ( -0.438 1.746 0.076) 1.802 12.347 ( -0.082 2.303 0.207) 2.314 12.434 ( 0.278 2.603 -0.057) 2.618 13.015 ( 0.205 -7.521 -0.296) 7.529 13.144 ( 1.271 -6.056 0.165) 6.190 16.196 ( -2.775 -0.877 1.065) 3.099 16.426 ( -0.403 -5.240 -1.011) 5.351 18.246 ( 5.018 6.935 -0.291) 8.565 18.312 ( 4.196 3.299 0.625) 5.374 18.361 ( -0.610 11.160 -0.846) 11.209 18.630 ( -10.459 -5.479 0.838) 11.837 19.217 ( 7.047 -8.199 -0.153) 10.813 19.328 ( -2.088 -10.151 1.580) 10.483 19.445 ( -0.670 -0.481 -2.823) 2.941 19.614 ( 1.334 -5.669 1.469) 6.006 19.767 ( 2.908 -6.480 -0.110) 7.103 19.933 ( -11.752 -4.902 0.033) 12.733 20.879 ( 13.012 15.539 -1.448) 20.319 21.164 ( -10.797 8.740 1.775) 14.004 21.892 ( -0.454 4.245 -1.108) 4.411 21.948 ( -0.644 2.514 0.441) 2.633 22.081 ( 0.377 -8.011 0.280) 8.025 22.351 ( 1.194 -7.326 -0.418) 7.434 22.810 ( -0.654 5.603 0.496) 5.662 23.185 ( 1.178 1.340 -0.403) 1.829 23.259 ( 0.553 2.558 -0.042) 2.618 23.613 ( 3.933 -3.830 0.474) 5.511 ======================= Grid point 20 (15/86) ======================= q-point: (-0.10 0.10 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 19.667 0.000) 19.667 0.979 ( -0.000 -4.924 -0.000) 4.924 1.006 ( 0.000 21.225 0.000) 21.225 1.410 ( 0.000 29.090 0.000) 29.090 1.451 ( 0.000 8.510 0.000) 8.510 1.658 ( 0.000 3.620 0.000) 3.620 1.707 ( 0.000 10.974 0.000) 10.974 1.853 ( 0.000 2.904 0.000) 2.904 2.327 ( 0.000 6.132 0.000) 6.132 2.530 ( 0.000 0.761 0.000) 0.761 2.588 ( 0.000 4.060 0.000) 4.060 2.632 ( 0.000 2.873 0.000) 2.873 2.778 ( -0.000 -4.075 -0.000) 4.075 2.858 ( 0.000 8.205 0.000) 8.205 3.066 ( 0.000 2.104 0.000) 2.104 3.140 ( 0.000 2.229 0.000) 2.229 3.268 ( -0.000 -2.793 -0.000) 2.793 3.313 ( -0.000 -1.414 -0.000) 1.414 3.593 ( 0.000 1.229 0.000) 1.229 3.623 ( -0.000 -0.162 -0.000) 0.162 3.686 ( -0.000 -2.000 -0.000) 2.000 3.718 ( -0.000 -3.696 -0.000) 3.696 3.856 ( -0.000 -1.580 -0.000) 1.580 3.904 ( -0.000 -2.436 -0.000) 2.436 4.021 ( -0.000 -0.664 -0.000) 0.664 4.144 ( -0.000 -5.522 -0.000) 5.522 4.269 ( -0.000 -0.302 -0.000) 0.302 4.388 ( -0.000 -6.077 -0.000) 6.077 4.489 ( -0.000 -1.104 -0.000) 1.104 4.587 ( -0.000 -1.843 -0.000) 1.843 4.710 ( 0.000 1.565 0.000) 1.565 4.725 ( -0.000 -1.126 -0.000) 1.126 4.929 ( -0.000 -1.178 -0.000) 1.178 5.061 ( 0.000 0.351 0.000) 0.351 5.137 ( -0.000 -2.783 -0.000) 2.783 5.274 ( -0.000 -1.482 -0.000) 1.482 5.375 ( -0.000 -4.824 -0.000) 4.824 5.388 ( 0.000 5.345 0.000) 5.345 5.668 ( -0.000 -2.506 -0.000) 2.506 5.697 ( -0.000 -4.470 -0.000) 4.470 5.721 ( 0.000 1.945 0.000) 1.945 5.946 ( 0.000 1.196 0.000) 1.196 6.046 ( 0.000 2.016 0.000) 2.016 6.124 ( -0.000 -3.625 -0.000) 3.625 6.186 ( 0.000 2.483 0.000) 2.483 6.272 ( -0.000 -4.587 -0.000) 4.587 6.401 ( 0.000 2.721 0.000) 2.721 6.714 ( -0.000 -2.289 -0.000) 2.289 6.770 ( -0.000 -4.899 -0.000) 4.899 6.880 ( -0.000 -1.307 -0.000) 1.307 7.252 ( 0.000 2.978 0.000) 2.978 7.540 ( 0.000 1.066 0.000) 1.066 7.859 ( -0.000 -4.999 -0.000) 4.999 7.881 ( -0.000 -6.232 -0.000) 6.232 8.135 ( 0.000 2.983 0.000) 2.983 8.257 ( -0.000 -12.387 -0.000) 12.387 8.547 ( -0.000 -0.004 -0.000) 0.004 8.660 ( 0.000 6.599 0.000) 6.599 8.680 ( -0.000 -1.656 -0.000) 1.656 8.834 ( -0.000 -0.701 -0.000) 0.701 9.086 ( 0.000 8.680 0.000) 8.680 9.138 ( 0.000 3.154 0.000) 3.154 9.727 ( 0.000 2.080 0.000) 2.080 10.012 ( -0.000 -12.092 -0.000) 12.092 10.302 ( -0.000 -1.138 -0.000) 1.138 10.371 ( -0.000 -4.031 -0.000) 4.031 10.638 ( 0.000 4.449 0.000) 4.449 10.737 ( 0.000 2.440 0.000) 2.440 10.776 ( -0.000 -1.406 -0.000) 1.406 10.874 ( -0.000 -1.899 -0.000) 1.899 11.093 ( -0.000 -0.165 -0.000) 0.165 11.195 ( -0.000 -3.312 -0.000) 3.312 11.542 ( -0.000 -4.319 -0.000) 4.319 11.615 ( -0.000 -2.066 -0.000) 2.066 11.662 ( -0.000 -0.260 -0.000) 0.260 11.749 ( -0.000 -0.921 -0.000) 0.921 12.323 ( 0.000 0.345 0.000) 0.345 12.395 ( 0.000 1.794 0.000) 1.794 13.144 ( -0.000 -5.688 -0.000) 5.688 13.262 ( -0.000 -5.415 -0.000) 5.415 16.200 ( -0.000 -0.820 -0.000) 0.820 16.546 ( -0.000 -7.788 -0.000) 7.788 18.089 ( 0.000 8.547 0.000) 8.547 18.149 ( 0.000 9.779 0.000) 9.779 18.308 ( 0.000 3.178 0.000) 3.178 18.676 ( -0.000 -4.753 -0.000) 4.753 19.394 ( -0.000 -7.989 -0.000) 7.989 19.424 ( 0.000 0.363 0.000) 0.363 19.579 ( -0.000 -13.148 -0.000) 13.148 19.767 ( -0.000 -9.661 -0.000) 9.661 19.903 ( -0.000 -5.361 -0.000) 5.361 19.969 ( -0.000 -4.734 -0.000) 4.734 20.564 ( 0.000 21.930 0.000) 21.930 20.961 ( 0.000 8.030 0.000) 8.030 21.791 ( 0.000 5.523 0.000) 5.523 21.918 ( 0.000 0.048 0.000) 0.048 22.237 ( -0.000 -7.830 -0.000) 7.830 22.480 ( -0.000 -5.408 -0.000) 5.408 22.710 ( 0.000 4.606 0.000) 4.606 23.127 ( 0.000 5.214 0.000) 5.214 23.199 ( 0.000 3.940 0.000) 3.940 23.710 ( -0.000 -3.840 -0.000) 3.840 ======================= Grid point 23 (16/86) ======================= q-point: ( 0.20 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 21.201 0.000 3.368) 21.467 0.853 ( 24.408 0.000 2.119) 24.500 1.223 ( 11.495 0.000 -7.968) 13.987 1.315 ( 14.758 0.000 -0.997) 14.792 1.532 ( 40.851 0.000 2.954) 40.957 1.871 ( 8.393 0.000 0.887) 8.439 2.056 ( 12.691 0.000 8.793) 15.440 2.181 ( 5.507 0.000 -3.700) 6.635 2.251 ( 9.338 0.000 1.396) 9.441 2.404 ( 7.694 0.000 -5.728) 9.592 2.628 ( -2.873 -0.000 1.197) 3.112 2.633 ( 3.554 0.000 -8.712) 9.409 2.778 ( -3.240 -0.000 0.530) 3.283 2.812 ( 4.629 0.000 2.868) 5.445 3.035 ( -10.765 -0.000 6.172) 12.408 3.078 ( -2.142 -0.000 -0.179) 2.150 3.286 ( -3.849 -0.000 1.900) 4.292 3.352 ( -4.969 -0.000 1.712) 5.256 3.424 ( 0.821 0.000 -1.936) 2.103 3.630 ( 3.764 0.000 -3.829) 5.369 3.632 ( 2.649 0.000 -4.125) 4.902 3.641 ( -2.481 -0.000 1.424) 2.861 3.793 ( -0.783 -0.000 3.026) 3.125 3.940 ( 1.972 0.000 -4.523) 4.934 3.956 ( 2.559 0.000 0.137) 2.563 4.166 ( -16.069 -0.000 6.442) 17.312 4.360 ( -6.524 -0.000 0.684) 6.559 4.366 ( -0.138 -0.000 -7.783) 7.784 4.564 ( -5.850 -0.000 3.375) 6.754 4.582 ( -8.794 -0.000 2.443) 9.127 4.789 ( -7.280 -0.000 3.718) 8.174 4.808 ( -4.906 -0.000 -1.201) 5.051 4.920 ( 5.185 0.000 -3.953) 6.520 5.033 ( -0.068 -0.000 -2.995) 2.996 5.051 ( -2.347 -0.000 -5.899) 6.348 5.089 ( -2.842 -0.000 -0.437) 2.876 5.120 ( -4.828 -0.000 4.404) 6.535 5.456 ( -7.426 -0.000 -3.673) 8.284 5.461 ( -11.601 -0.000 3.785) 12.202 5.659 ( -2.699 -0.000 -0.668) 2.780 5.700 ( -0.585 -0.000 0.391) 0.703 5.829 ( -1.725 -0.000 0.586) 1.821 6.070 ( -0.761 -0.000 -0.400) 0.860 6.097 ( -2.234 -0.000 -0.087) 2.236 6.390 ( 7.616 0.000 -2.776) 8.106 6.540 ( 7.669 0.000 3.504) 8.431 6.633 ( 3.315 0.000 2.902) 4.406 6.700 ( 11.508 0.000 -0.457) 11.517 7.017 ( 19.156 0.000 -7.746) 20.663 7.197 ( 2.182 0.000 -3.376) 4.019 7.521 ( 0.795 0.000 5.887) 5.941 7.756 ( -3.202 -0.000 -3.715) 4.905 7.782 ( -6.525 -0.000 -6.831) 9.446 8.052 ( -9.043 -0.000 15.035) 17.545 8.175 ( -4.564 -0.000 2.768) 5.338 8.349 ( 5.524 0.000 -1.450) 5.711 8.488 ( -10.383 -0.000 -0.797) 10.413 8.543 ( -3.679 -0.000 -5.371) 6.511 8.800 ( 9.634 0.000 4.987) 10.848 8.963 ( 2.312 0.000 4.159) 4.758 9.348 ( 12.375 0.000 -7.071) 14.252 9.456 ( -8.002 -0.000 -5.281) 9.587 9.804 ( 3.027 0.000 -9.685) 10.147 10.004 ( -8.872 -0.000 7.417) 11.564 10.174 ( -14.648 -0.000 2.370) 14.839 10.327 ( -0.854 -0.000 -12.072) 12.102 10.498 ( 0.229 0.000 2.751) 2.761 10.559 ( 3.519 0.000 0.462) 3.550 10.808 ( 7.762 0.000 -2.637) 8.198 11.056 ( 3.119 0.000 6.063) 6.818 11.091 ( 8.659 0.000 -0.471) 8.672 11.355 ( 4.603 0.000 2.006) 5.021 11.459 ( -5.255 -0.000 -1.213) 5.393 11.546 ( -3.218 -0.000 -0.164) 3.223 12.156 ( 10.524 0.000 0.318) 10.529 12.268 ( -3.280 -0.000 0.256) 3.290 12.396 ( 10.322 0.000 -0.688) 10.345 12.753 ( 8.367 0.000 -4.216) 9.369 13.175 ( -4.457 -0.000 0.318) 4.468 13.226 ( -3.310 -0.000 -1.009) 3.460 16.503 ( -4.745 -0.000 -21.594) 22.109 16.699 ( -14.208 -0.000 12.360) 18.832 17.986 ( 8.026 0.000 1.091) 8.099 18.015 ( 6.864 0.000 -1.430) 7.012 18.400 ( 9.770 0.000 -1.462) 9.879 18.642 ( 3.030 0.000 -2.697) 4.056 19.254 ( -13.380 -0.000 1.376) 13.451 19.280 ( -10.315 -0.000 -0.278) 10.319 19.869 ( -2.420 -0.000 -1.448) 2.820 19.919 ( -4.218 -0.000 2.265) 4.788 20.056 ( 6.572 0.000 -5.021) 8.271 20.450 ( 12.617 0.000 13.007) 18.121 20.736 ( 20.164 0.000 3.020) 20.389 21.335 ( 16.916 0.000 -43.926) 47.071 21.992 ( -2.131 -0.000 3.795) 4.353 22.021 ( 2.060 0.000 0.550) 2.132 22.069 ( -6.940 -0.000 20.742) 21.872 22.436 ( -0.495 -0.000 -1.336) 1.425 22.571 ( -0.314 -0.000 -3.543) 3.557 22.778 ( -6.504 -0.000 4.159) 7.720 22.875 ( -2.728 -0.000 0.549) 2.783 22.964 ( -6.647 -0.000 -0.763) 6.690 ======================= Grid point 24 (17/86) ======================= q-point: ( 0.30 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 18.668 -6.165 2.677) 19.841 1.101 ( 19.461 -5.810 3.363) 20.586 1.264 ( 10.247 2.790 -0.232) 10.622 1.526 ( 15.620 -5.979 -5.896) 17.734 1.860 ( 19.688 -0.035 -4.258) 20.143 1.908 ( 14.434 -0.444 4.184) 15.035 2.150 ( 5.035 0.885 -1.934) 5.466 2.201 ( 12.487 -2.013 2.864) 12.968 2.360 ( 10.776 -1.518 -1.627) 11.003 2.501 ( -1.441 -2.306 2.655) 3.800 2.566 ( 1.312 -5.333 -1.130) 5.607 2.726 ( -4.127 -1.890 -1.532) 4.791 2.805 ( 8.091 -4.680 -4.221) 10.256 2.862 ( -2.736 -0.369 5.018) 5.727 2.977 ( 2.488 -1.879 1.340) 3.394 3.112 ( -4.360 -1.837 0.796) 4.797 3.229 ( -0.086 2.443 2.913) 3.803 3.299 ( -1.098 2.764 -1.728) 3.439 3.432 ( -5.576 -2.130 3.589) 6.965 3.578 ( 1.979 2.464 -4.822) 5.765 3.606 ( -2.552 1.756 -1.131) 3.298 3.697 ( -1.103 -2.130 0.708) 2.501 3.788 ( 1.632 2.155 -2.911) 3.972 3.867 ( -2.488 6.666 -1.377) 7.247 3.984 ( -4.529 1.312 5.131) 6.968 4.079 ( -6.422 -2.470 0.574) 6.905 4.223 ( -6.314 3.440 -0.505) 7.208 4.378 ( -2.391 1.175 -4.184) 4.960 4.407 ( -6.007 6.136 2.264) 8.880 4.523 ( -3.739 1.375 1.866) 4.399 4.713 ( -5.626 1.597 2.804) 6.485 4.834 ( -4.877 -3.888 -3.945) 7.380 4.922 ( 0.198 0.520 -1.837) 1.920 5.007 ( -1.453 0.391 -1.076) 1.850 5.037 ( -2.341 4.373 4.420) 6.644 5.092 ( -1.899 -3.829 -0.601) 4.316 5.123 ( -0.795 -3.943 -4.816) 6.275 5.356 ( -10.724 0.054 0.972) 10.768 5.439 ( -10.877 -5.095 0.634) 12.028 5.576 ( 0.345 4.890 1.261) 5.062 5.768 ( 2.183 -4.287 -0.263) 4.818 5.861 ( -2.589 -3.560 0.060) 4.402 6.061 ( -1.713 0.007 2.249) 2.827 6.085 ( 0.878 -0.329 -3.079) 3.218 6.451 ( 8.594 -0.148 -3.078) 9.130 6.571 ( 1.479 0.614 4.808) 5.068 6.682 ( 10.069 0.611 -0.597) 10.105 6.812 ( 3.638 -2.196 3.203) 5.321 7.080 ( 12.066 5.256 -6.332) 14.605 7.247 ( 4.136 -2.430 -3.547) 5.966 7.519 ( -0.456 2.475 5.099) 5.686 7.633 ( -0.647 8.906 -0.447) 8.941 7.699 ( -7.059 0.619 -4.035) 8.154 8.020 ( -4.610 -1.421 6.999) 8.500 8.148 ( -1.826 0.143 -0.332) 1.861 8.295 ( 0.195 7.437 -2.253) 7.773 8.416 ( -7.662 -1.190 4.519) 8.974 8.563 ( -2.805 -4.065 -4.930) 6.978 8.899 ( 5.969 3.710 2.909) 7.606 8.933 ( 4.116 1.237 1.511) 4.556 9.168 ( -1.018 17.043 -3.467) 17.422 9.437 ( 11.662 -1.015 -6.593) 13.436 9.800 ( 0.362 0.027 -2.596) 2.622 9.919 ( -10.297 2.951 6.872) 12.727 10.107 ( -7.785 -2.513 3.216) 8.790 10.334 ( -0.819 -2.031 -9.162) 9.420 10.496 ( 0.788 0.812 2.170) 2.448 10.599 ( 1.074 -0.155 0.447) 1.173 10.874 ( 7.480 -2.415 0.062) 7.861 11.132 ( 9.214 2.920 -0.452) 9.676 11.163 ( 3.344 -4.294 3.532) 6.488 11.333 ( -2.586 2.720 -3.826) 5.360 11.448 ( 0.105 -0.809 3.730) 3.818 11.538 ( -3.550 -1.632 -1.203) 4.088 12.206 ( 5.290 0.382 1.014) 5.400 12.254 ( 0.012 0.027 -0.655) 0.656 12.386 ( 10.415 9.998 -0.006) 14.437 12.587 ( 12.002 17.754 -1.516) 21.484 13.143 ( -6.391 1.001 -0.183) 6.471 13.181 ( -3.159 2.030 -0.211) 3.761 16.361 ( -4.964 3.728 -8.189) 10.276 16.590 ( -13.804 2.581 5.947) 15.250 17.991 ( 7.397 2.873 0.027) 7.935 18.145 ( 7.054 -4.444 -0.137) 8.338 18.283 ( 11.140 4.593 -0.235) 12.052 18.937 ( 0.806 -8.809 -1.442) 8.962 19.165 ( -9.415 0.545 1.004) 9.484 19.266 ( -14.908 -10.805 -0.091) 18.412 19.725 ( -4.173 9.939 -2.448) 11.054 19.795 ( -0.832 10.071 4.024) 10.877 20.054 ( 4.035 3.688 -7.459) 9.248 20.536 ( 10.661 4.470 12.428) 16.973 20.823 ( 22.764 10.804 0.209) 25.199 21.222 ( 12.916 3.995 -17.846) 22.389 21.820 ( 0.580 0.830 7.176) 7.247 22.009 ( 2.677 1.778 -0.847) 3.323 22.264 ( -6.031 1.573 1.964) 6.535 22.423 ( -2.506 -0.308 1.692) 3.039 22.644 ( 1.132 -5.642 -3.247) 6.607 22.856 ( -7.484 -11.023 -0.528) 13.334 22.955 ( -7.334 -9.804 1.135) 12.297 22.978 ( -7.279 -7.497 0.217) 10.451 ======================= Grid point 25 (18/86) ======================= q-point: ( 0.40 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 11.351 -7.631 3.400) 14.093 1.266 ( 7.951 1.341 4.645) 9.305 1.405 ( 14.064 -8.720 2.106) 16.682 1.671 ( 17.539 2.317 -11.574) 21.141 1.920 ( 1.758 0.342 -5.183) 5.484 2.012 ( 9.387 -3.099 0.384) 9.893 2.247 ( 2.254 -4.782 1.116) 5.403 2.337 ( 5.606 1.003 0.762) 5.745 2.462 ( 7.051 -4.897 3.397) 9.232 2.565 ( -1.183 -1.825 3.307) 3.958 2.651 ( -1.321 0.124 3.534) 3.775 2.744 ( 1.948 -4.383 -2.750) 5.529 2.918 ( 1.079 -7.147 2.312) 7.588 2.980 ( 6.571 -7.014 -5.291) 10.971 3.043 ( -1.146 0.142 4.863) 4.998 3.052 ( -2.524 1.995 -0.645) 3.282 3.220 ( 2.797 2.066 -2.789) 4.458 3.266 ( 5.083 0.886 0.183) 5.163 3.438 ( -6.002 -2.864 2.526) 7.114 3.509 ( -3.257 2.048 -1.545) 4.146 3.575 ( -1.123 -0.725 -4.467) 4.663 3.677 ( -1.564 3.877 -0.694) 4.238 3.716 ( -4.876 4.922 3.739) 7.873 3.793 ( 7.933 -1.014 -3.083) 8.571 3.877 ( -5.717 3.012 3.309) 7.260 4.019 ( -3.830 3.842 -1.363) 5.594 4.175 ( -6.234 3.224 1.881) 7.266 4.264 ( -2.280 -0.327 -0.371) 2.333 4.304 ( -4.985 4.362 -0.526) 6.645 4.515 ( -6.447 -1.784 3.509) 7.554 4.681 ( -2.295 -1.582 -0.105) 2.790 4.797 ( -3.337 0.490 -4.475) 5.604 4.906 ( -2.253 3.668 2.251) 4.858 4.968 ( -5.692 -3.118 -1.558) 6.674 5.006 ( -2.159 -1.163 -0.880) 2.606 5.135 ( 1.847 -2.323 -1.527) 3.337 5.207 ( 3.102 -2.319 -0.683) 3.933 5.311 ( -7.189 -4.062 1.613) 8.413 5.490 ( -7.140 -6.626 1.170) 9.811 5.513 ( 1.445 2.714 0.400) 3.101 5.844 ( -0.579 -1.089 0.337) 1.278 5.905 ( -2.332 -3.912 -0.690) 4.606 6.079 ( 1.305 -1.454 2.108) 2.874 6.109 ( 3.875 -1.082 -2.584) 4.782 6.504 ( 8.019 1.187 -2.188) 8.396 6.578 ( 1.689 1.181 2.767) 3.450 6.727 ( 6.277 2.432 -0.299) 6.738 6.836 ( 1.397 2.277 4.043) 4.846 7.012 ( 3.342 5.510 -3.326) 7.252 7.209 ( -0.828 9.307 -0.513) 9.358 7.444 ( -1.355 4.338 4.282) 6.244 7.485 ( 0.984 5.492 -5.680) 7.962 7.686 ( -0.663 -2.949 -0.644) 3.090 8.004 ( -9.301 1.240 2.452) 9.699 8.135 ( -0.221 0.694 1.232) 1.431 8.210 ( 8.066 0.140 -5.215) 9.606 8.427 ( -2.870 -2.444 6.708) 7.694 8.580 ( -3.780 -1.497 -3.345) 5.265 8.714 ( -0.469 12.441 -0.076) 12.450 8.823 ( -4.552 13.768 1.720) 14.603 9.071 ( 8.478 -2.826 -1.942) 9.145 9.534 ( 9.079 -0.999 -4.783) 10.310 9.804 ( -0.968 0.026 0.006) 0.968 9.815 ( -4.495 0.476 3.716) 5.851 10.133 ( -4.388 -3.745 4.555) 7.350 10.344 ( 0.419 -1.086 -6.306) 6.412 10.496 ( 0.636 0.134 1.385) 1.530 10.587 ( -1.281 0.893 0.737) 1.726 10.990 ( 6.325 -2.606 1.217) 6.949 11.127 ( 9.324 4.741 -2.117) 10.673 11.192 ( 1.661 6.149 -0.981) 6.445 11.282 ( -0.256 -1.526 1.873) 2.429 11.463 ( -1.559 0.334 0.811) 1.789 11.542 ( -2.116 -1.400 -0.558) 2.598 12.150 ( 13.753 16.117 -0.037) 21.188 12.260 ( 2.741 -1.579 -0.093) 3.165 12.328 ( 2.725 4.391 0.332) 5.178 12.345 ( 3.560 8.121 -0.280) 8.872 13.036 ( -6.112 4.872 -0.393) 7.826 13.093 ( -3.691 3.690 0.417) 5.236 16.271 ( -4.336 0.827 -2.697) 5.173 16.439 ( -9.673 3.637 2.281) 10.583 18.018 ( 5.295 -0.419 -0.069) 5.312 18.265 ( 2.620 -3.513 0.014) 4.382 18.378 ( 10.882 -3.239 -0.104) 11.354 18.961 ( -0.534 1.815 -0.494) 1.955 19.056 ( -6.985 3.980 0.637) 8.064 19.405 ( -10.793 -10.090 0.241) 14.777 19.478 ( -5.513 9.733 -2.920) 11.561 19.617 ( 2.443 8.701 7.678) 11.859 19.958 ( 0.678 5.658 -9.959) 11.474 20.452 ( 8.167 14.192 6.423) 17.589 20.822 ( 19.783 3.835 -0.836) 20.168 21.326 ( 5.624 -5.126 -3.249) 8.274 21.866 ( 0.589 -2.828 0.809) 3.000 22.018 ( 2.317 0.083 1.782) 2.925 22.136 ( -3.618 5.546 -0.520) 6.642 22.350 ( -3.079 4.808 0.975) 5.792 22.766 ( 2.872 -6.109 -2.149) 7.084 22.985 ( -4.478 -6.921 1.065) 8.312 23.065 ( -4.424 -7.478 -0.271) 8.693 23.107 ( -10.840 -10.854 -0.074) 15.340 ======================= Grid point 26 (19/86) ======================= q-point: ( 0.50 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 6.984 -3.766 -3.277) 8.585 1.395 ( 8.103 -4.811 2.886) 9.855 1.649 ( 6.865 -3.826 1.489) 7.999 1.720 ( 13.378 -0.260 -4.045) 13.978 1.928 ( -1.071 -1.739 -1.361) 2.455 2.141 ( 2.686 -4.154 -0.637) 4.988 2.261 ( -2.408 4.459 6.087) 7.920 2.369 ( 1.828 -3.448 -0.461) 3.930 2.514 ( 1.547 5.003 -1.967) 5.594 2.569 ( -10.809 -3.718 6.624) 13.211 2.664 ( 2.374 -2.328 -0.330) 3.341 2.828 ( 7.748 0.584 -4.407) 8.933 2.962 ( -5.706 0.995 1.106) 5.897 3.047 ( 0.167 -0.560 1.497) 1.607 3.069 ( 5.303 -3.013 -2.204) 6.485 3.113 ( -0.302 -1.796 -2.102) 2.781 3.225 ( 0.988 -1.556 -0.357) 1.877 3.307 ( 6.767 -1.788 1.362) 7.130 3.462 ( -0.629 1.384 0.934) 1.785 3.492 ( -1.368 -6.495 -2.692) 7.163 3.550 ( -5.206 2.313 0.232) 5.701 3.579 ( -1.199 5.778 0.966) 5.979 3.684 ( -0.573 -4.205 -0.989) 4.358 3.772 ( -1.560 1.751 2.855) 3.695 3.875 ( -2.313 5.707 -0.540) 6.181 3.960 ( 4.662 -5.447 -3.145) 7.829 4.068 ( -0.627 2.713 0.253) 2.795 4.187 ( -5.720 2.022 -0.809) 6.121 4.290 ( -2.025 -2.538 1.166) 3.450 4.482 ( -7.701 -0.852 5.116) 9.284 4.660 ( -9.413 0.566 1.265) 9.514 4.795 ( 1.334 -2.044 -6.045) 6.519 4.887 ( 0.331 -2.356 1.239) 2.682 4.934 ( -4.661 -1.217 0.056) 4.817 5.051 ( -2.520 -3.464 -0.268) 4.292 5.192 ( 2.211 -1.373 -2.564) 3.653 5.274 ( 3.781 -3.109 -0.274) 4.903 5.392 ( 3.664 -3.560 2.778) 5.815 5.490 ( 0.206 0.262 -0.926) 0.984 5.555 ( -4.036 -3.887 1.567) 5.818 5.822 ( -0.321 1.747 0.071) 1.777 5.952 ( -5.109 -3.733 0.040) 6.328 6.096 ( 1.501 1.222 -1.042) 2.198 6.198 ( 4.804 -3.849 -0.639) 6.189 6.503 ( 3.038 7.054 -1.753) 7.878 6.535 ( 5.782 5.804 4.312) 9.258 6.654 ( -2.197 3.940 0.800) 4.582 6.820 ( 4.142 2.520 -1.232) 5.002 6.949 ( -4.587 2.230 1.479) 5.310 6.961 ( 0.965 11.791 -2.779) 12.152 7.354 ( -2.444 3.960 4.122) 6.216 7.405 ( 0.963 2.664 -4.203) 5.068 7.712 ( -2.777 0.604 -0.423) 2.874 7.901 ( -3.642 2.683 -0.496) 4.551 8.151 ( 0.904 -1.432 0.447) 1.752 8.305 ( 8.437 -1.741 -3.653) 9.357 8.393 ( -1.120 12.738 7.350) 14.749 8.539 ( -1.083 0.003 -0.435) 1.168 8.571 ( -3.956 -1.567 -2.452) 4.911 8.584 ( -3.490 3.500 0.587) 4.977 9.183 ( 7.823 -1.946 -1.081) 8.134 9.560 ( 1.418 2.112 -1.004) 2.735 9.783 ( 1.978 0.351 0.198) 2.019 9.869 ( -0.417 -4.744 -0.466) 4.785 10.189 ( -3.127 -3.960 4.539) 6.787 10.354 ( 1.089 -0.428 -3.237) 3.442 10.502 ( -0.033 -0.206 -0.526) 0.566 10.564 ( -3.972 -1.002 1.024) 4.222 11.010 ( 0.797 6.967 -0.019) 7.012 11.068 ( 8.196 5.410 -2.004) 10.023 11.126 ( 6.520 2.698 0.812) 7.103 11.304 ( 2.503 1.379 2.173) 3.590 11.399 ( -2.757 3.744 -1.032) 4.763 11.528 ( -1.393 2.452 -0.011) 2.820 11.977 ( 7.583 9.473 -0.121) 12.134 12.084 ( 5.455 13.558 0.014) 14.614 12.353 ( 0.040 -5.097 -0.389) 5.112 12.424 ( 0.891 -5.580 0.320) 5.659 12.876 ( -4.438 6.786 -0.654) 8.135 12.994 ( -3.943 3.556 0.824) 5.373 16.236 ( -3.120 -0.476 -1.481) 3.487 16.322 ( -6.310 2.226 1.309) 6.818 18.083 ( 4.121 -2.344 -0.123) 4.743 18.316 ( -2.602 -2.251 0.097) 3.442 18.524 ( 8.191 -3.104 0.341) 8.766 18.889 ( -2.891 4.664 -1.231) 5.624 18.955 ( 1.101 3.269 -0.116) 3.451 19.307 ( -2.167 3.049 -0.740) 3.813 19.444 ( -1.605 -0.701 0.317) 1.780 19.546 ( -0.837 3.289 7.774) 8.483 19.825 ( -4.244 3.964 -9.046) 10.750 20.211 ( 3.044 15.737 2.403) 16.207 20.957 ( 16.220 -1.942 0.504) 16.344 21.427 ( -1.015 -3.966 -0.853) 4.181 21.925 ( 0.440 -2.734 -0.942) 2.925 21.992 ( -2.026 3.936 0.616) 4.469 22.047 ( 0.537 2.191 1.339) 2.623 22.236 ( -1.884 4.408 0.064) 4.795 22.905 ( 3.709 -5.838 -1.806) 7.148 23.054 ( -2.946 -3.112 1.327) 4.486 23.160 ( -4.682 -6.055 0.757) 7.691 23.218 ( -5.181 -7.996 -0.855) 9.566 ======================= Grid point 27 (20/86) ======================= q-point: ( 0.60 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 8.463 5.372 -6.485) 11.939 1.566 ( 5.983 -6.101 -0.571) 8.564 1.712 ( 0.595 -2.028 -1.121) 2.393 1.828 ( -0.589 -1.065 10.282) 10.354 1.901 ( -2.042 3.543 -0.112) 4.091 2.152 ( 2.348 6.949 3.413) 8.090 2.220 ( -0.197 -2.127 -1.978) 2.911 2.396 ( -0.843 5.500 -3.310) 6.474 2.439 ( -1.145 -4.309 -0.876) 4.544 2.578 ( -9.006 -5.174 2.331) 10.644 2.735 ( 6.230 -3.582 -1.443) 7.330 2.869 ( -0.471 3.712 0.824) 3.831 2.938 ( 2.125 -3.427 -0.184) 4.037 3.029 ( -3.817 2.217 0.179) 4.418 3.051 ( 0.499 0.006 0.361) 0.616 3.173 ( 4.581 -0.958 -4.028) 6.175 3.255 ( -2.468 -1.891 -2.196) 3.806 3.298 ( -1.537 12.227 1.909) 12.470 3.429 ( -2.012 4.258 0.743) 4.767 3.460 ( 3.492 -2.699 1.195) 4.572 3.504 ( -4.207 -1.847 3.390) 5.710 3.635 ( 2.719 -4.517 -3.787) 6.491 3.678 ( -5.475 -1.370 -0.326) 5.653 3.739 ( 0.983 2.769 1.787) 3.439 3.920 ( 3.520 -7.605 -0.945) 8.433 4.042 ( -0.725 1.550 -0.998) 1.981 4.111 ( -3.530 -3.196 -1.504) 4.994 4.126 ( 2.170 -4.755 -0.392) 5.241 4.339 ( -0.011 -2.936 1.662) 3.374 4.480 ( -3.473 -1.669 3.767) 5.389 4.570 ( -8.002 -0.510 0.247) 8.022 4.865 ( 2.091 -4.183 -0.825) 4.748 4.890 ( -1.115 -0.703 -5.815) 5.963 5.018 ( 2.637 -4.175 7.548) 9.020 5.080 ( -0.060 -0.504 -1.761) 1.833 5.208 ( -2.591 -1.693 -2.115) 3.749 5.355 ( 2.936 -2.609 -2.304) 4.554 5.478 ( 1.384 -0.684 -1.609) 2.230 5.520 ( 8.953 -0.901 3.885) 9.801 5.563 ( -4.454 0.119 1.266) 4.632 5.797 ( 1.339 1.100 -0.206) 1.746 5.968 ( -5.366 -1.991 1.949) 6.046 6.059 ( -3.435 0.660 -3.688) 5.083 6.269 ( 3.083 5.050 -2.244) 6.328 6.274 ( -2.549 8.485 3.908) 9.683 6.473 ( 4.628 9.079 0.966) 10.237 6.591 ( -1.965 1.855 1.503) 3.092 6.713 ( -1.158 5.226 -0.993) 5.444 6.782 ( -0.563 4.874 -4.608) 6.731 6.953 ( -0.935 -0.487 2.815) 3.006 7.302 ( 1.258 1.210 2.335) 2.915 7.385 ( 0.796 -0.876 -2.410) 2.685 7.644 ( -6.593 0.815 0.009) 6.643 7.803 ( -1.677 5.709 -1.660) 6.177 8.114 ( -2.139 12.955 4.492) 13.878 8.206 ( 3.907 -2.957 -5.680) 7.502 8.362 ( 1.058 -0.989 3.656) 3.932 8.526 ( -1.643 -1.087 0.807) 2.129 8.618 ( 3.793 -3.929 -2.320) 5.933 8.647 ( 0.499 -5.112 1.010) 5.235 9.259 ( 7.926 0.332 -0.364) 7.941 9.501 ( -1.897 2.950 -0.845) 3.608 9.798 ( 0.604 -0.193 1.776) 1.886 9.951 ( 0.062 -3.417 -2.259) 4.096 10.238 ( -1.502 -1.520 2.584) 3.353 10.358 ( 0.817 0.668 -1.011) 1.462 10.508 ( -3.119 -2.864 -0.573) 4.273 10.583 ( -2.779 -3.442 0.472) 4.448 10.855 ( -0.410 7.282 -0.493) 7.310 11.022 ( 6.776 5.626 -0.973) 8.861 11.110 ( 4.758 4.707 2.766) 7.242 11.256 ( 5.722 8.128 -1.080) 9.999 11.334 ( -0.903 0.325 -0.230) 0.987 11.433 ( -4.740 2.689 -0.210) 5.454 11.897 ( 2.495 4.293 0.233) 4.971 11.927 ( 2.030 6.050 -0.157) 6.383 12.447 ( 0.675 -3.895 -0.519) 3.987 12.540 ( 0.147 -4.840 0.639) 4.884 12.729 ( -0.975 4.948 -0.998) 5.141 12.913 ( -3.357 1.390 0.939) 3.753 16.214 ( -2.652 0.463 -1.183) 2.941 16.272 ( -2.870 -0.765 1.099) 3.167 18.167 ( 4.166 -2.894 -0.192) 5.076 18.333 ( -4.663 -2.926 0.404) 5.520 18.615 ( 3.452 -1.587 1.137) 3.966 18.771 ( -2.033 4.625 -2.357) 5.575 18.914 ( 2.142 2.445 -0.417) 3.277 19.332 ( 5.606 -2.643 2.499) 6.682 19.442 ( 1.001 5.367 4.117) 6.838 19.473 ( 1.495 0.681 -2.929) 3.359 19.711 ( -7.308 1.809 -3.369) 8.248 19.939 ( -5.004 11.170 0.922) 12.275 21.124 ( 14.461 -1.820 0.362) 14.580 21.466 ( -5.470 -2.905 -0.344) 6.204 21.897 ( -1.419 3.878 -0.202) 4.134 21.965 ( -0.273 -1.015 0.778) 1.308 22.019 ( 0.047 0.271 -1.096) 1.130 22.162 ( -0.460 2.813 0.896) 2.988 23.026 ( 2.691 -3.816 -1.637) 4.948 23.066 ( -1.492 -0.359 0.889) 1.774 23.230 ( -2.933 -4.215 1.151) 5.262 23.329 ( -1.169 -6.368 -0.636) 6.506 ======================= Grid point 28 (21/86) ======================= q-point: (-0.30 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 4.645 5.745 -1.917) 7.633 1.555 ( -0.287 12.759 2.072) 12.929 1.666 ( -2.045 6.744 -2.401) 7.445 1.792 ( 0.741 6.393 0.891) 6.497 1.896 ( -1.962 -8.893 3.548) 9.774 2.027 ( 1.202 7.095 -0.374) 7.206 2.243 ( -0.443 4.105 0.581) 4.169 2.311 ( -2.242 -4.351 -1.582) 5.144 2.549 ( 0.244 -4.733 -0.791) 4.805 2.587 ( -1.459 5.058 -1.058) 5.370 2.750 ( -5.642 -3.401 1.257) 6.707 2.772 ( 1.678 12.437 0.002) 12.550 2.966 ( 0.176 1.465 1.621) 2.192 3.002 ( -2.602 0.553 -0.534) 2.713 3.096 ( 0.478 -5.304 -0.233) 5.330 3.119 ( -1.166 5.056 2.571) 5.791 3.141 ( 2.334 -1.084 -3.508) 4.350 3.325 ( 2.172 -6.213 -2.530) 7.051 3.391 ( -0.991 -0.099 1.349) 1.677 3.488 ( -0.861 -0.633 1.614) 1.936 3.577 ( 4.403 -3.281 -2.059) 5.865 3.653 ( 2.689 2.985 0.143) 4.020 3.694 ( -2.132 -0.472 2.548) 3.355 3.723 ( -3.934 -3.254 -2.033) 5.495 3.945 ( -1.012 5.173 0.271) 5.278 4.040 ( 3.650 -0.165 -0.697) 3.720 4.161 ( -5.439 -6.059 4.403) 9.256 4.280 ( 7.183 -4.583 -6.207) 10.542 4.408 ( -7.141 -2.780 4.733) 9.007 4.453 ( -1.988 -3.967 -1.289) 4.621 4.638 ( 3.674 -6.074 0.017) 7.099 4.871 ( -1.726 0.304 -0.626) 1.861 4.978 ( 4.278 -4.089 -2.268) 6.338 5.056 ( 5.626 4.502 -4.211) 8.345 5.093 ( -1.229 0.873 8.408) 8.542 5.223 ( -6.924 -4.508 -0.770) 8.298 5.409 ( 2.624 -0.867 -2.835) 3.959 5.476 ( -1.001 0.010 0.194) 1.020 5.511 ( -4.551 -0.419 0.355) 4.584 5.606 ( 11.574 3.099 2.114) 12.167 5.779 ( -1.812 0.910 -1.237) 2.375 5.953 ( -3.764 -1.255 2.232) 4.552 6.026 ( -3.952 0.728 -2.874) 4.941 6.076 ( 2.804 5.996 1.316) 6.749 6.204 ( -4.469 3.991 -0.532) 6.015 6.278 ( -0.419 9.149 0.377) 9.166 6.585 ( 2.270 1.408 2.707) 3.804 6.666 ( -1.660 3.918 -4.291) 6.043 6.685 ( -2.647 -1.892 0.745) 3.338 6.922 ( -0.333 3.693 1.097) 3.867 7.316 ( 2.174 0.313 -0.583) 2.272 7.455 ( -0.539 -6.718 0.800) 6.787 7.625 ( -0.530 -2.041 -1.206) 2.429 7.681 ( -4.129 2.659 -0.277) 4.919 7.919 ( -0.393 7.339 2.424) 7.739 8.270 ( 1.608 -1.766 -5.371) 5.878 8.407 ( 0.280 -2.465 4.114) 4.804 8.554 ( 0.334 -2.067 0.097) 2.096 8.716 ( 3.530 -3.035 -1.354) 4.848 8.747 ( 0.651 -3.995 1.223) 4.228 9.295 ( 7.125 2.070 -0.644) 7.447 9.422 ( -4.204 2.590 0.017) 4.938 9.803 ( 0.905 0.806 1.322) 1.794 9.973 ( -1.497 0.393 -1.182) 1.947 10.228 ( -1.130 0.993 0.748) 1.680 10.323 ( 0.159 2.812 -0.688) 2.900 10.587 ( -2.158 -7.161 0.262) 7.484 10.641 ( -0.491 -3.555 -0.361) 3.607 10.752 ( -1.417 2.569 0.579) 2.991 10.986 ( 1.747 0.711 0.021) 1.886 11.035 ( 3.031 8.186 0.079) 8.729 11.112 ( 3.843 6.966 -0.338) 7.963 11.349 ( 0.314 -1.509 0.551) 1.636 11.409 ( -2.914 -2.785 -0.686) 4.089 11.833 ( 1.494 4.106 0.090) 4.370 11.851 ( -0.754 3.155 0.005) 3.244 12.470 ( 0.025 2.142 0.094) 2.144 12.552 ( -1.025 2.290 -0.024) 2.509 12.736 ( 1.202 -5.027 -0.621) 5.206 12.923 ( -0.994 -4.159 0.579) 4.315 16.184 ( -1.746 0.330 -0.134) 1.782 16.292 ( -0.776 -2.284 0.105) 2.414 18.256 ( 5.345 -2.458 -0.357) 5.894 18.361 ( -5.231 -3.735 0.845) 6.482 18.631 ( 1.134 2.767 0.040) 2.991 18.675 ( -1.227 4.109 -1.214) 4.456 18.923 ( 1.289 -3.309 0.690) 3.618 19.283 ( -0.425 8.058 -0.103) 8.070 19.455 ( 8.777 -0.883 1.100) 8.890 19.544 ( 4.105 -4.928 -0.818) 6.466 19.608 ( -1.954 4.550 -0.529) 4.980 19.760 ( -13.806 -0.931 0.334) 13.841 21.228 ( 13.364 2.938 -0.003) 13.683 21.424 ( -9.248 2.266 0.047) 9.522 21.852 ( -0.504 -1.156 -0.280) 1.292 21.975 ( 0.215 0.136 1.190) 1.217 22.037 ( -0.462 -1.254 -1.410) 1.943 22.123 ( 0.071 -0.021 0.486) 0.491 23.009 ( -0.489 3.673 0.305) 3.718 23.127 ( 1.060 -3.545 -0.812) 3.788 23.277 ( -0.845 -1.896 0.673) 2.182 23.439 ( 0.531 -5.435 -0.173) 5.463 ======================= Grid point 29 (22/86) ======================= q-point: (-0.20 0.20 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 18.196 0.000) 18.196 1.238 ( 0.000 4.490 0.000) 4.490 1.471 ( 0.000 11.177 0.000) 11.177 1.647 ( 0.000 8.481 0.000) 8.481 1.915 ( 0.000 5.076 0.000) 5.076 2.072 ( -0.000 -2.808 -0.000) 2.808 2.163 ( -0.000 -1.458 -0.000) 1.458 2.255 ( 0.000 12.621 0.000) 12.621 2.439 ( 0.000 19.146 0.000) 19.146 2.486 ( -0.000 -0.698 -0.000) 0.698 2.639 ( -0.000 -4.182 -0.000) 4.182 2.808 ( 0.000 5.263 0.000) 5.263 2.900 ( 0.000 6.151 0.000) 6.151 2.926 ( -0.000 -3.144 -0.000) 3.144 3.123 ( 0.000 0.687 0.000) 0.687 3.126 ( -0.000 -2.467 -0.000) 2.467 3.302 ( -0.000 -10.561 -0.000) 10.561 3.344 ( 0.000 3.259 0.000) 3.259 3.486 ( 0.000 3.160 0.000) 3.160 3.512 ( -0.000 -7.205 -0.000) 7.205 3.544 ( 0.000 0.474 0.000) 0.474 3.697 ( -0.000 -2.604 -0.000) 2.604 3.720 ( -0.000 -2.822 -0.000) 2.822 3.758 ( -0.000 -2.675 -0.000) 2.675 3.864 ( 0.000 1.459 0.000) 1.459 4.027 ( 0.000 0.715 0.000) 0.715 4.247 ( -0.000 -3.750 -0.000) 3.750 4.365 ( 0.000 0.794 0.000) 0.794 4.370 ( -0.000 -2.392 -0.000) 2.392 4.591 ( -0.000 -6.584 -0.000) 6.584 4.784 ( -0.000 -5.063 -0.000) 5.063 4.825 ( 0.000 3.011 0.000) 3.011 4.981 ( 0.000 4.984 0.000) 4.984 4.987 ( 0.000 6.514 0.000) 6.514 5.067 ( -0.000 -2.667 -0.000) 2.667 5.263 ( -0.000 -1.541 -0.000) 1.541 5.424 ( 0.000 0.835 0.000) 0.835 5.493 ( -0.000 -3.264 -0.000) 3.264 5.531 ( -0.000 -2.128 -0.000) 2.128 5.555 ( 0.000 4.907 0.000) 4.907 5.757 ( 0.000 0.082 0.000) 0.082 5.971 ( 0.000 1.633 0.000) 1.633 6.004 ( -0.000 -3.738 -0.000) 3.738 6.048 ( 0.000 0.674 0.000) 0.674 6.106 ( 0.000 0.770 0.000) 0.770 6.203 ( -0.000 -0.202 -0.000) 0.202 6.544 ( 0.000 4.142 0.000) 4.142 6.596 ( 0.000 0.273 0.000) 0.273 6.748 ( -0.000 -4.335 -0.000) 4.335 6.832 ( 0.000 4.997 0.000) 4.997 7.314 ( 0.000 0.373 0.000) 0.373 7.589 ( 0.000 2.303 0.000) 2.303 7.606 ( -0.000 -8.106 -0.000) 8.106 7.770 ( -0.000 -9.938 -0.000) 9.938 7.823 ( 0.000 3.047 0.000) 3.047 8.269 ( 0.000 1.537 0.000) 1.537 8.471 ( -0.000 -3.140 -0.000) 3.140 8.601 ( -0.000 -2.356 -0.000) 2.356 8.779 ( -0.000 -2.174 -0.000) 2.174 8.795 ( -0.000 -0.399 -0.000) 0.399 9.275 ( 0.000 3.469 0.000) 3.469 9.348 ( 0.000 3.131 0.000) 3.131 9.788 ( 0.000 0.707 0.000) 0.707 9.908 ( 0.000 5.007 0.000) 5.007 10.230 ( -0.000 -2.208 -0.000) 2.208 10.283 ( 0.000 0.881 0.000) 0.881 10.693 ( -0.000 -2.392 -0.000) 2.392 10.724 ( -0.000 -0.389 -0.000) 0.389 10.724 ( -0.000 -6.350 -0.000) 6.350 10.869 ( 0.000 8.188 0.000) 8.188 11.022 ( -0.000 -3.064 -0.000) 3.064 11.079 ( -0.000 -0.426 -0.000) 0.426 11.392 ( -0.000 -2.814 -0.000) 2.814 11.464 ( -0.000 -4.061 -0.000) 4.061 11.754 ( 0.000 4.376 0.000) 4.376 11.798 ( 0.000 2.165 0.000) 2.165 12.405 ( 0.000 3.670 0.000) 3.670 12.492 ( 0.000 3.247 0.000) 3.247 12.868 ( -0.000 -7.643 -0.000) 7.643 13.028 ( -0.000 -6.319 -0.000) 6.319 16.176 ( -0.000 -0.243 -0.000) 0.243 16.343 ( -0.000 -3.372 -0.000) 3.372 18.328 ( -0.000 -1.442 -0.000) 1.442 18.379 ( 0.000 0.744 0.000) 0.744 18.549 ( 0.000 3.134 0.000) 3.134 18.557 ( 0.000 8.475 0.000) 8.475 19.073 ( -0.000 -10.698 -0.000) 10.698 19.186 ( 0.000 0.383 0.000) 0.383 19.488 ( 0.000 3.383 0.000) 3.383 19.534 ( -0.000 -2.600 -0.000) 2.600 19.702 ( -0.000 -4.659 -0.000) 4.659 19.753 ( -0.000 -6.236 -0.000) 6.236 21.216 ( 0.000 11.265 0.000) 11.265 21.234 ( 0.000 5.454 0.000) 5.454 21.929 ( -0.000 -4.954 -0.000) 4.954 21.960 ( 0.000 0.422 0.000) 0.422 22.005 ( 0.000 3.105 0.000) 3.105 22.210 ( -0.000 -7.252 -0.000) 7.252 22.917 ( 0.000 5.470 0.000) 5.470 23.183 ( -0.000 -1.752 -0.000) 1.752 23.289 ( 0.000 0.407 0.000) 0.407 23.541 ( -0.000 -4.861 -0.000) 4.861 ======================= Grid point 34 (23/86) ======================= q-point: ( 0.30 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 20.188 0.000 1.778) 20.266 1.218 ( 20.948 0.000 -1.666) 21.014 1.400 ( 12.286 0.000 -2.668) 12.572 1.565 ( 15.409 0.000 1.580) 15.490 1.981 ( 4.262 0.000 -1.853) 4.648 2.020 ( 13.493 0.000 3.328) 13.898 2.192 ( 0.899 0.000 3.890) 3.993 2.280 ( 7.903 0.000 -0.419) 7.915 2.369 ( 4.135 0.000 2.580) 4.873 2.493 ( 4.458 0.000 -6.874) 8.193 2.537 ( 2.165 0.000 -4.296) 4.810 2.699 ( 8.487 0.000 -8.740) 12.182 2.782 ( 0.798 0.000 2.996) 3.101 2.852 ( -3.906 -0.000 10.293) 11.009 3.007 ( 3.948 0.000 5.493) 6.765 3.059 ( -1.279 -0.000 -1.804) 2.211 3.255 ( -1.528 -0.000 2.056) 2.562 3.295 ( 1.224 0.000 -4.083) 4.262 3.417 ( 0.266 0.000 2.219) 2.235 3.622 ( -0.816 -0.000 -0.866) 1.190 3.622 ( -0.880 -0.000 0.487) 1.006 3.648 ( 3.322 0.000 -5.904) 6.774 3.841 ( -4.547 -0.000 6.562) 7.983 3.915 ( -2.852 -0.000 -5.508) 6.203 3.926 ( -8.912 -0.000 0.034) 8.912 4.009 ( 3.593 0.000 1.759) 4.001 4.242 ( -9.804 -0.000 5.096) 11.050 4.324 ( -0.609 -0.000 -7.991) 8.014 4.451 ( -7.714 -0.000 1.275) 7.818 4.519 ( -1.785 -0.000 1.529) 2.351 4.690 ( -5.457 -0.000 3.321) 6.388 4.707 ( -7.424 -0.000 -1.303) 7.538 4.945 ( -10.358 -0.000 6.849) 12.418 4.985 ( 1.883 0.000 0.984) 2.124 5.027 ( 3.787 0.000 -8.073) 8.917 5.037 ( -1.279 -0.000 -6.680) 6.802 5.112 ( -0.981 -0.000 4.148) 4.262 5.276 ( -11.435 -0.000 -0.504) 11.447 5.284 ( -11.745 -0.000 0.571) 11.759 5.654 ( -0.237 -0.000 1.385) 1.405 5.725 ( 3.456 0.000 -0.340) 3.473 5.787 ( -3.784 -0.000 -0.529) 3.821 6.055 ( -3.361 -0.000 1.661) 3.749 6.074 ( 3.437 0.000 -2.788) 4.426 6.509 ( 8.790 0.000 -3.620) 9.506 6.595 ( 0.892 0.000 5.581) 5.651 6.768 ( 9.090 0.000 0.266) 9.094 6.827 ( 3.846 0.000 1.285) 4.055 7.224 ( 2.807 0.000 -3.874) 4.785 7.227 ( 10.947 0.000 -8.422) 13.812 7.574 ( 0.987 0.000 7.051) 7.120 7.635 ( -6.569 -0.000 -8.762) 10.951 7.675 ( -6.470 -0.000 5.768) 8.668 7.972 ( -8.033 -0.000 9.267) 12.263 8.142 ( -0.552 -0.000 1.410) 1.515 8.345 ( -5.462 -0.000 -0.280) 5.470 8.422 ( 3.446 0.000 -1.736) 3.858 8.444 ( -5.521 -0.000 -4.837) 7.341 8.963 ( 8.359 0.000 1.797) 8.550 9.019 ( 2.524 0.000 2.045) 3.248 9.300 ( -8.580 -0.000 -3.162) 9.144 9.496 ( 8.567 0.000 -5.242) 10.044 9.793 ( -1.262 -0.000 -0.748) 1.467 9.868 ( -10.124 -0.000 4.635) 11.134 10.034 ( -5.201 -0.000 4.996) 7.212 10.309 ( 5.480 0.000 -12.497) 13.646 10.512 ( -1.164 -0.000 5.599) 5.719 10.608 ( 2.549 0.000 -0.203) 2.557 10.937 ( 9.703 0.000 -1.424) 9.807 11.131 ( 3.033 0.000 4.876) 5.743 11.234 ( 8.814 0.000 0.089) 8.815 11.323 ( -3.848 -0.000 -5.084) 6.376 11.458 ( 1.165 0.000 3.430) 3.622 11.487 ( -4.130 -0.000 -1.016) 4.253 12.214 ( 0.036 0.000 -0.020) 0.041 12.216 ( -3.409 -0.000 0.233) 3.417 12.638 ( 15.270 0.000 2.423) 15.461 12.854 ( 6.612 0.000 -3.996) 7.726 13.108 ( -3.866 -0.000 0.315) 3.878 13.160 ( -4.395 -0.000 -0.344) 4.409 16.321 ( -8.802 -0.000 -8.439) 12.194 16.493 ( -15.768 -0.000 6.910) 17.215 18.128 ( 7.623 0.000 -0.489) 7.638 18.135 ( 9.108 0.000 0.608) 9.129 18.538 ( 7.760 0.000 0.383) 7.770 18.680 ( 2.840 0.000 -1.580) 3.250 19.072 ( -9.907 -0.000 0.268) 9.910 19.126 ( -9.141 -0.000 0.395) 9.150 19.813 ( -3.364 -0.000 -1.829) 3.829 19.878 ( -2.341 -0.000 4.414) 4.996 20.097 ( 2.265 0.000 -7.916) 8.233 20.703 ( 11.048 0.000 14.476) 18.210 21.038 ( 14.842 0.000 3.052) 15.153 21.398 ( 11.855 0.000 -30.817) 33.018 21.956 ( -5.585 -0.000 8.846) 10.462 22.062 ( -1.663 -0.000 5.692) 5.930 22.078 ( 4.654 0.000 1.992) 5.063 22.421 ( -0.156 -0.000 -2.031) 2.037 22.547 ( -0.904 -0.000 -2.741) 2.886 22.698 ( -6.734 -0.000 5.103) 8.449 22.834 ( -2.523 -0.000 0.443) 2.562 22.853 ( -5.885 -0.000 -1.920) 6.190 ======================= Grid point 35 (24/86) ======================= q-point: ( 0.40 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.934 -1.619 2.749) 13.322 1.385 ( 12.122 1.127 0.591) 12.188 1.450 ( 14.914 -0.552 -1.117) 14.966 1.738 ( 10.932 -4.188 -0.167) 11.708 1.976 ( 4.656 2.524 -7.010) 8.786 2.072 ( 3.980 0.705 1.198) 4.215 2.194 ( -0.117 -1.147 0.940) 1.487 2.328 ( -1.999 -2.747 1.306) 3.639 2.441 ( -2.353 -3.214 2.602) 4.758 2.547 ( 3.978 -0.296 -1.346) 4.210 2.606 ( 12.449 -3.998 -4.373) 13.787 2.718 ( 0.594 0.362 3.268) 3.341 2.834 ( -0.813 -2.325 5.436) 5.968 2.908 ( 3.747 -5.351 -1.688) 6.747 3.046 ( -3.547 -0.080 -2.046) 4.096 3.059 ( 5.390 -0.612 4.262) 6.899 3.257 ( -4.443 -2.044 0.869) 4.967 3.293 ( 6.043 2.427 -5.721) 8.668 3.429 ( 5.860 1.634 4.128) 7.352 3.549 ( -2.877 3.933 -3.555) 6.032 3.576 ( 1.018 2.802 -3.138) 4.328 3.720 ( -5.731 1.178 3.036) 6.592 3.766 ( -3.326 -0.620 6.230) 7.089 3.809 ( 4.556 2.214 -6.911) 8.568 3.903 ( -2.571 1.931 -0.725) 3.296 4.054 ( -2.134 2.260 0.286) 3.121 4.131 ( -4.435 -0.032 2.944) 5.324 4.302 ( -5.034 2.442 -1.779) 5.871 4.351 ( -1.656 4.513 -0.765) 4.868 4.484 ( -1.936 0.780 1.469) 2.552 4.641 ( -5.177 0.993 3.598) 6.382 4.703 ( -8.977 -3.904 -2.020) 9.996 4.865 ( -6.336 -0.819 -0.458) 6.405 4.975 ( -2.356 0.270 -2.151) 3.202 5.014 ( -2.188 6.952 4.035) 8.330 5.066 ( 0.814 -5.300 -2.018) 5.729 5.160 ( 1.879 -7.157 -1.981) 7.660 5.188 ( -10.001 -0.055 -0.335) 10.007 5.288 ( -4.497 -7.044 0.298) 8.363 5.594 ( 0.429 4.134 1.880) 4.562 5.793 ( -3.254 -3.757 -1.796) 5.285 5.805 ( -0.148 -3.061 0.439) 3.096 6.044 ( -1.851 -1.719 2.693) 3.693 6.124 ( 5.835 -1.210 -3.456) 6.889 6.568 ( 7.674 0.246 -3.789) 8.562 6.616 ( 2.878 0.480 3.923) 4.889 6.817 ( 5.751 1.299 1.067) 5.992 6.858 ( 0.558 -0.524 2.319) 2.442 7.166 ( 2.849 6.477 -3.486) 7.888 7.282 ( 0.987 0.989 -3.861) 4.106 7.530 ( -6.694 1.789 -2.860) 7.496 7.560 ( 1.489 4.864 1.503) 5.305 7.644 ( -0.678 -0.467 3.663) 3.755 7.939 ( -8.258 -0.620 4.279) 9.322 8.134 ( 0.253 0.963 0.316) 1.045 8.303 ( 0.429 4.196 -1.409) 4.447 8.351 ( -1.225 -2.997 0.879) 3.355 8.503 ( -2.339 -2.863 -2.461) 4.441 8.948 ( 1.158 9.390 0.402) 9.470 9.021 ( 1.465 4.247 3.834) 5.906 9.117 ( -0.208 6.091 -5.207) 8.016 9.555 ( 3.146 -1.770 -2.657) 4.482 9.770 ( -1.152 0.073 0.164) 1.166 9.826 ( -2.158 0.373 1.542) 2.678 10.043 ( -4.087 -2.955 5.717) 7.624 10.334 ( 5.425 -0.190 -9.394) 10.849 10.506 ( -1.994 0.506 5.414) 5.791 10.617 ( 1.304 1.239 -0.598) 1.896 11.012 ( 9.524 -0.910 0.355) 9.574 11.217 ( 0.062 -2.793 -0.826) 2.913 11.262 ( 4.777 0.650 0.181) 4.824 11.287 ( 3.699 2.452 -0.114) 4.439 11.449 ( -3.039 0.427 -0.202) 3.075 11.483 ( -2.124 -2.023 0.538) 2.982 12.204 ( -1.980 -1.860 -0.072) 2.717 12.246 ( -1.024 -3.225 0.074) 3.385 12.592 ( 11.549 15.117 0.722) 19.037 12.746 ( 8.773 14.715 -0.706) 17.146 13.045 ( -5.636 1.916 -0.476) 5.972 13.125 ( -3.682 1.781 0.134) 4.092 16.229 ( -7.171 0.523 -3.387) 7.948 16.390 ( -12.576 0.307 2.966) 12.925 18.120 ( 8.053 4.257 -0.045) 9.109 18.240 ( 4.416 -1.992 0.093) 4.846 18.469 ( 12.026 3.241 -0.049) 12.456 18.930 ( -1.183 -7.539 -1.010) 7.698 19.045 ( -9.138 0.983 0.381) 9.198 19.051 ( -9.104 -9.797 0.852) 13.401 19.650 ( -3.679 11.170 -1.719) 11.885 19.817 ( 0.583 6.804 7.359) 10.039 20.050 ( 0.414 4.240 -10.286) 11.134 20.742 ( 8.155 7.347 10.851) 15.435 21.124 ( 14.635 6.679 -0.480) 16.094 21.321 ( 8.409 3.081 -13.219) 15.967 21.854 ( 0.251 1.648 5.237) 5.496 22.043 ( 1.908 0.415 -0.830) 2.121 22.184 ( -4.940 2.318 2.583) 6.037 22.406 ( 0.101 1.618 -1.001) 1.905 22.639 ( -0.342 -8.483 -2.564) 8.869 22.743 ( -6.196 -10.425 2.534) 12.389 22.874 ( -5.547 -6.160 0.730) 8.322 22.887 ( -2.738 -6.525 -0.792) 7.121 ======================= Grid point 36 (25/86) ======================= q-point: ( 0.50 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.465 -3.597 3.220) 5.421 1.386 ( 4.553 0.682 3.034) 5.513 1.685 ( 18.872 -5.035 -1.084) 19.562 1.846 ( 0.248 -2.982 -0.427) 3.023 1.910 ( 10.051 6.750 -12.959) 17.735 2.118 ( 3.581 -0.753 -1.022) 3.800 2.244 ( -1.574 -3.111 4.981) 6.080 2.369 ( -7.494 -4.623 2.286) 9.097 2.448 ( -1.103 1.889 4.573) 5.069 2.595 ( 4.230 -0.806 -0.667) 4.358 2.630 ( -5.860 1.153 1.779) 6.232 2.813 ( 6.901 -4.830 -1.786) 8.610 2.911 ( -4.738 -4.182 5.015) 8.068 2.964 ( -2.013 -1.166 -1.322) 2.675 3.076 ( 4.417 -3.715 -3.852) 6.940 3.127 ( 6.285 0.564 0.378) 6.322 3.232 ( -3.418 -0.484 -0.500) 3.488 3.328 ( 5.414 -3.047 -1.505) 6.392 3.425 ( 1.426 3.155 1.424) 3.744 3.499 ( 3.418 1.542 -4.410) 5.788 3.537 ( 0.888 1.072 -1.888) 2.345 3.620 ( -6.664 1.779 3.702) 7.828 3.658 ( -3.464 3.988 2.498) 5.843 3.801 ( -3.649 2.404 -2.028) 4.818 3.932 ( 2.542 1.304 2.033) 3.507 3.989 ( 4.687 2.741 -1.894) 5.751 4.161 ( -1.924 -4.852 1.829) 5.531 4.173 ( -0.279 6.280 -0.291) 6.293 4.243 ( -2.638 4.080 -2.920) 5.668 4.450 ( -3.010 1.225 3.926) 5.097 4.592 ( -9.228 -0.255 2.301) 9.514 4.710 ( -6.102 -3.981 -2.164) 7.601 4.860 ( -3.495 -2.840 -3.320) 5.595 4.894 ( -1.422 3.334 2.753) 4.551 4.971 ( -2.195 -1.772 0.482) 2.862 5.156 ( -0.143 -3.262 -1.828) 3.742 5.191 ( -0.474 -5.613 -0.944) 5.712 5.314 ( -0.398 -7.884 -0.771) 7.932 5.419 ( 1.536 -6.473 1.000) 6.727 5.543 ( 2.253 2.223 2.045) 3.768 5.815 ( -6.843 -3.223 -0.633) 7.590 5.837 ( -1.213 -0.938 -0.572) 1.637 6.118 ( 1.923 -4.263 1.231) 4.836 6.166 ( 4.033 0.510 -1.564) 4.355 6.587 ( 3.193 1.721 -2.115) 4.199 6.645 ( 6.004 0.906 1.791) 6.331 6.798 ( 2.705 6.451 0.204) 6.998 6.862 ( -1.159 -0.779 3.236) 3.525 7.010 ( -0.742 9.126 -2.712) 9.549 7.161 ( -3.738 8.821 -0.388) 9.589 7.428 ( -3.184 3.338 -2.594) 5.293 7.484 ( 2.980 5.136 2.536) 6.457 7.698 ( 0.929 -1.113 -0.026) 1.450 7.871 ( -7.061 -0.275 -0.057) 7.067 8.116 ( -1.331 -0.296 1.454) 1.993 8.320 ( 4.900 -2.671 -0.951) 5.662 8.430 ( 1.355 -4.560 1.206) 4.908 8.507 ( -3.544 -1.060 -1.394) 3.953 8.710 ( -0.744 14.550 0.776) 14.590 8.764 ( -2.821 14.283 0.332) 14.563 9.178 ( 5.728 -3.707 -2.392) 7.230 9.580 ( -1.688 -0.333 0.260) 1.740 9.776 ( -1.713 -0.721 0.579) 1.946 9.841 ( 6.457 -0.890 -1.940) 6.800 10.091 ( -4.267 -4.025 5.238) 7.864 10.355 ( 3.799 0.031 -5.753) 6.895 10.493 ( -2.684 -0.223 3.913) 4.750 10.578 ( 0.223 3.052 -0.856) 3.178 11.102 ( 5.417 0.308 0.340) 5.437 11.176 ( 1.315 2.803 -1.320) 3.365 11.263 ( 7.513 4.249 -0.990) 8.688 11.331 ( 2.422 -0.658 3.371) 4.203 11.401 ( -4.969 1.099 -2.262) 5.569 11.516 ( -1.718 -2.454 0.516) 3.040 12.252 ( -1.337 -3.963 -0.147) 4.185 12.309 ( 0.686 2.423 -0.379) 2.546 12.344 ( 7.686 11.369 0.456) 13.731 12.467 ( 5.848 18.806 0.230) 19.695 12.944 ( -4.700 4.343 -0.428) 6.414 13.041 ( -2.841 3.719 0.360) 4.694 16.185 ( -4.407 -1.142 -1.010) 4.663 16.301 ( -7.356 0.943 0.848) 7.465 18.120 ( 6.825 1.624 -0.087) 7.016 18.273 ( -1.580 -0.455 0.097) 1.647 18.568 ( 12.005 -1.050 0.200) 12.052 18.931 ( -3.677 1.599 -0.936) 4.118 18.977 ( -2.696 -0.230 0.453) 2.744 19.228 ( -9.579 -11.461 -0.341) 14.940 19.404 ( -2.813 9.162 -1.032) 9.640 19.703 ( 2.663 7.946 11.595) 14.307 19.904 ( -1.108 7.323 -12.598) 14.614 20.581 ( 4.871 16.132 3.626) 17.237 21.105 ( 15.489 4.273 -0.768) 16.086 21.361 ( -0.162 -1.856 -1.503) 2.394 21.877 ( 0.594 -2.102 -0.102) 2.187 22.047 ( -0.986 2.223 4.605) 5.208 22.082 ( -1.296 1.992 -3.115) 3.918 22.318 ( -1.261 5.575 0.094) 5.717 22.807 ( 3.460 -7.817 -2.289) 8.850 22.924 ( -3.561 -9.689 0.992) 10.370 22.960 ( -7.003 -7.617 2.097) 10.557 23.016 ( -2.249 -8.927 -1.275) 9.294 ======================= Grid point 37 (26/86) ======================= q-point: ( 0.60 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 1.967 -5.277 -2.237) 6.060 1.476 ( 1.045 -5.902 3.929) 7.167 1.754 ( 3.397 4.734 -1.902) 6.130 1.884 ( 6.963 2.873 -1.506) 7.682 1.926 ( 2.959 -1.210 -1.176) 3.406 2.159 ( 2.231 -3.540 -2.823) 5.048 2.269 ( 0.736 1.363 3.994) 4.284 2.364 ( -10.793 -1.268 4.890) 11.917 2.401 ( -0.735 -0.374 0.579) 1.007 2.535 ( -1.759 3.666 -0.547) 4.102 2.709 ( 6.036 -4.317 -3.140) 8.058 2.858 ( -7.343 0.056 2.431) 7.735 2.942 ( 7.833 -1.697 -1.135) 8.094 3.059 ( -1.999 -5.553 -1.567) 6.107 3.070 ( -0.393 4.097 -1.243) 4.299 3.111 ( -2.227 1.690 3.062) 4.146 3.272 ( 6.506 -0.236 -4.046) 7.665 3.363 ( -4.073 0.355 1.412) 4.325 3.444 ( -0.381 -0.030 0.079) 0.390 3.494 ( 4.681 -0.773 0.287) 4.753 3.523 ( 0.994 -3.130 1.039) 3.444 3.581 ( 0.007 3.005 -0.262) 3.017 3.630 ( -5.125 2.022 -1.257) 5.651 3.760 ( -1.100 -2.062 -0.531) 2.397 3.823 ( -0.744 0.565 2.030) 2.235 4.039 ( -2.953 3.696 0.369) 4.745 4.052 ( 3.898 -3.825 -0.080) 5.462 4.136 ( -2.695 3.986 -1.959) 5.195 4.309 ( 7.576 -2.977 -1.880) 8.354 4.437 ( -2.185 -1.003 4.993) 5.542 4.501 ( -9.307 0.664 -0.277) 9.335 4.765 ( -3.026 -5.749 0.535) 6.519 4.866 ( 2.101 -0.693 -5.481) 5.911 4.933 ( -1.187 -5.384 4.352) 7.024 5.009 ( -1.931 -3.857 0.163) 4.317 5.203 ( 0.958 -0.440 -1.875) 2.150 5.287 ( -0.182 -4.260 -0.121) 4.266 5.427 ( -1.710 -5.266 -1.250) 5.676 5.538 ( 1.999 -2.301 0.022) 3.048 5.572 ( 7.467 -1.556 3.332) 8.323 5.802 ( -4.298 -0.371 -0.804) 4.388 5.854 ( -3.606 -3.571 -0.357) 5.088 6.108 ( 0.496 4.626 -0.386) 4.669 6.244 ( 1.309 -3.916 -0.172) 4.133 6.545 ( 3.198 7.624 0.046) 8.268 6.598 ( -2.585 9.333 0.681) 9.708 6.673 ( 6.520 2.638 1.608) 7.215 6.818 ( -4.807 8.691 -3.065) 10.394 6.893 ( -0.842 -0.308 1.799) 2.010 6.950 ( -0.497 7.752 -0.855) 7.815 7.355 ( 0.101 2.552 1.460) 2.942 7.423 ( 2.638 3.872 -1.481) 4.913 7.636 ( -4.792 3.283 0.457) 5.826 7.863 ( -0.881 0.778 -0.819) 1.433 8.148 ( -0.425 -3.233 0.634) 3.322 8.387 ( 0.257 11.228 1.130) 11.288 8.406 ( 2.304 5.091 -0.899) 5.660 8.494 ( -3.037 -0.538 0.337) 3.103 8.549 ( 1.591 -5.284 -0.104) 5.520 8.576 ( 0.045 1.139 -0.102) 1.145 9.285 ( 4.502 -3.121 -1.003) 5.569 9.541 ( -2.017 2.724 0.159) 3.393 9.783 ( -1.211 -1.189 0.906) 1.924 9.914 ( 4.356 -1.703 -2.026) 5.097 10.157 ( -2.721 -4.985 3.012) 6.429 10.368 ( 1.629 0.008 -1.942) 2.534 10.495 ( -0.853 0.025 0.650) 1.072 10.519 ( -1.613 0.821 0.003) 1.810 11.005 ( -0.367 8.014 -0.483) 8.037 11.190 ( 6.695 4.444 1.455) 8.167 11.241 ( 6.507 4.126 -1.671) 7.884 11.323 ( -4.058 0.809 -1.245) 4.321 11.331 ( -2.106 0.763 1.879) 2.924 11.511 ( -0.716 3.477 -0.050) 3.550 12.079 ( 4.704 12.238 -0.021) 13.111 12.125 ( -0.163 14.373 0.002) 14.374 12.354 ( 0.256 -5.146 -0.435) 5.171 12.442 ( 0.787 -5.608 0.458) 5.682 12.818 ( -2.025 5.414 -0.397) 5.794 12.948 ( -1.809 3.940 0.408) 4.355 16.187 ( -1.770 -1.334 -0.635) 2.306 16.246 ( -2.932 0.453 0.561) 3.019 18.164 ( 5.516 -0.983 -0.164) 5.605 18.255 ( -4.767 -1.071 0.219) 4.891 18.639 ( 4.602 0.561 0.526) 4.666 18.852 ( -1.119 4.868 -0.327) 5.006 18.966 ( 0.595 1.362 -1.406) 2.046 19.299 ( 1.766 -3.392 0.076) 3.824 19.366 ( -5.947 -6.691 0.136) 8.953 19.601 ( 1.190 7.687 9.450) 12.240 19.726 ( -2.212 6.488 -9.428) 11.656 20.261 ( 1.694 19.476 0.801) 19.566 21.197 ( 13.019 -1.244 0.509) 13.088 21.361 ( -7.074 -2.061 -0.639) 7.396 21.926 ( 0.178 -2.459 -0.735) 2.573 21.968 ( -1.016 4.113 0.745) 4.301 22.055 ( 0.048 2.182 0.493) 2.238 22.216 ( -0.547 3.695 -0.108) 3.737 22.957 ( 3.394 -5.010 -1.479) 6.230 23.022 ( -1.747 -3.784 0.844) 4.252 23.084 ( -3.885 -8.459 1.033) 9.366 23.172 ( -1.048 -8.621 -0.578) 8.704 ======================= Grid point 38 (27/86) ======================= q-point: ( 0.70 0.30 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 3.967 0.000) 3.967 1.614 ( -0.000 -6.164 -0.000) 6.164 1.715 ( 0.000 0.252 0.000) 0.252 1.844 ( 0.000 3.097 0.000) 3.097 1.885 ( 0.000 4.250 0.000) 4.250 2.188 ( 0.000 4.285 0.000) 4.285 2.220 ( 0.000 1.349 0.000) 1.349 2.376 ( 0.000 6.227 0.000) 6.227 2.448 ( -0.000 -4.190 -0.000) 4.190 2.470 ( -0.000 -8.210 -0.000) 8.210 2.827 ( 0.000 1.415 0.000) 1.415 2.839 ( -0.000 -2.334 -0.000) 2.334 2.934 ( 0.000 1.474 0.000) 1.474 3.009 ( -0.000 -0.585 -0.000) 0.585 3.058 ( 0.000 0.787 0.000) 0.787 3.196 ( -0.000 -6.646 -0.000) 6.646 3.243 ( 0.000 6.012 0.000) 6.012 3.273 ( 0.000 10.796 0.000) 10.796 3.401 ( 0.000 3.059 0.000) 3.059 3.485 ( -0.000 -1.736 -0.000) 1.736 3.515 ( -0.000 -0.483 -0.000) 0.483 3.594 ( -0.000 -3.918 -0.000) 3.918 3.645 ( -0.000 -4.327 -0.000) 4.327 3.788 ( 0.000 3.046 0.000) 3.046 3.969 ( -0.000 -9.654 -0.000) 9.654 4.019 ( -0.000 -3.857 -0.000) 3.857 4.029 ( 0.000 4.136 0.000) 4.136 4.177 ( -0.000 -6.418 -0.000) 6.418 4.372 ( -0.000 -0.507 -0.000) 0.507 4.409 ( 0.000 0.554 0.000) 0.554 4.529 ( -0.000 -5.513 -0.000) 5.513 4.841 ( -0.000 -2.770 -0.000) 2.770 4.915 ( -0.000 -3.542 -0.000) 3.542 5.041 ( -0.000 -5.163 -0.000) 5.163 5.091 ( -0.000 -5.048 -0.000) 5.048 5.167 ( 0.000 3.310 0.000) 3.310 5.365 ( -0.000 -3.874 -0.000) 3.874 5.478 ( -0.000 -0.620 -0.000) 0.620 5.531 ( 0.000 2.553 0.000) 2.553 5.673 ( -0.000 -2.491 -0.000) 2.491 5.770 ( 0.000 0.895 0.000) 0.895 5.928 ( -0.000 -5.276 -0.000) 5.276 6.003 ( 0.000 5.411 0.000) 5.411 6.265 ( 0.000 2.362 0.000) 2.362 6.285 ( 0.000 13.710 0.000) 13.710 6.528 ( 0.000 14.714 0.000) 14.714 6.569 ( -0.000 -1.940 -0.000) 1.940 6.693 ( 0.000 1.434 0.000) 1.434 6.763 ( 0.000 7.401 0.000) 7.401 6.954 ( -0.000 -0.733 -0.000) 0.733 7.355 ( -0.000 -2.319 -0.000) 2.319 7.363 ( 0.000 2.885 0.000) 2.885 7.577 ( 0.000 0.049 0.000) 0.049 7.781 ( 0.000 6.368 0.000) 6.368 8.108 ( 0.000 12.525 0.000) 12.525 8.218 ( -0.000 -3.619 -0.000) 3.619 8.385 ( 0.000 0.101 0.000) 0.101 8.513 ( -0.000 -1.998 -0.000) 1.998 8.652 ( -0.000 -5.777 -0.000) 5.777 8.655 ( -0.000 -4.630 -0.000) 4.630 9.345 ( -0.000 -0.759 -0.000) 0.759 9.462 ( 0.000 3.860 0.000) 3.860 9.802 ( -0.000 -0.944 -0.000) 0.944 9.955 ( -0.000 -1.254 -0.000) 1.254 10.232 ( -0.000 -2.089 -0.000) 2.089 10.364 ( 0.000 1.117 0.000) 1.117 10.476 ( -0.000 -1.758 -0.000) 1.758 10.561 ( -0.000 -3.915 -0.000) 3.915 10.850 ( 0.000 7.283 0.000) 7.283 11.075 ( 0.000 7.322 0.000) 7.322 11.171 ( 0.000 5.560 0.000) 5.560 11.313 ( 0.000 4.463 0.000) 4.463 11.329 ( -0.000 -0.725 -0.000) 0.725 11.368 ( 0.000 5.192 0.000) 5.192 11.920 ( 0.000 5.938 0.000) 5.938 11.942 ( 0.000 6.040 0.000) 6.040 12.452 ( -0.000 -4.200 -0.000) 4.200 12.539 ( -0.000 -3.231 -0.000) 3.231 12.723 ( 0.000 2.984 0.000) 2.984 12.884 ( 0.000 1.122 0.000) 1.122 16.186 ( 0.000 0.445 0.000) 0.445 16.250 ( -0.000 -1.643 -0.000) 1.643 18.231 ( -0.000 -2.651 -0.000) 2.651 18.266 ( -0.000 -2.979 -0.000) 2.979 18.653 ( -0.000 -0.455 -0.000) 0.455 18.744 ( 0.000 4.854 0.000) 4.854 18.930 ( 0.000 2.201 0.000) 2.201 19.430 ( -0.000 -5.935 -0.000) 5.935 19.454 ( 0.000 8.659 0.000) 8.659 19.469 ( -0.000 -6.648 -0.000) 6.648 19.601 ( 0.000 3.683 0.000) 3.683 19.909 ( 0.000 16.669 0.000) 16.669 21.315 ( -0.000 -1.271 -0.000) 1.271 21.350 ( -0.000 -2.893 -0.000) 2.893 21.883 ( 0.000 3.884 0.000) 3.884 21.964 ( -0.000 -1.400 -0.000) 1.400 22.017 ( 0.000 0.891 0.000) 0.891 22.160 ( 0.000 2.487 0.000) 2.487 23.049 ( 0.000 0.433 0.000) 0.433 23.054 ( -0.000 -4.267 -0.000) 4.267 23.205 ( -0.000 -5.260 -0.000) 5.260 23.319 ( -0.000 -7.137 -0.000) 7.137 ======================= Grid point 46 (28/86) ======================= q-point: ( 0.40 0.40 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 13.571 0.000 -0.876) 13.599 1.483 ( 13.511 0.000 -6.732) 15.095 1.548 ( 5.676 0.000 3.688) 6.768 1.769 ( 6.879 0.000 5.496) 8.805 1.988 ( -1.642 -0.000 -0.305) 1.670 2.076 ( -2.536 -0.000 3.386) 4.230 2.199 ( 2.596 0.000 -4.551) 5.240 2.285 ( 0.947 0.000 -3.439) 3.567 2.385 ( -2.471 -0.000 2.675) 3.641 2.536 ( -4.042 -0.000 -2.752) 4.890 2.686 ( 16.427 0.000 -4.110) 16.934 2.775 ( -8.391 -0.000 8.803) 12.161 2.836 ( 7.222 0.000 1.932) 7.476 2.843 ( 5.800 0.000 0.168) 5.803 3.005 ( -2.909 -0.000 -4.025) 4.966 3.116 ( 5.888 0.000 2.272) 6.311 3.192 ( -7.851 -0.000 3.319) 8.523 3.365 ( 8.478 0.000 -7.867) 11.566 3.491 ( 3.805 0.000 1.321) 4.028 3.594 ( -1.475 -0.000 -2.468) 2.875 3.611 ( -14.903 -0.000 4.969) 15.710 3.715 ( 12.404 0.000 4.235) 13.107 3.730 ( 10.825 0.000 -5.988) 12.371 3.803 ( -8.118 -0.000 -2.065) 8.377 3.949 ( 1.915 0.000 -0.455) 1.968 4.071 ( 0.529 0.000 0.494) 0.724 4.109 ( -8.058 -0.000 7.226) 10.824 4.277 ( -3.759 -0.000 -2.295) 4.404 4.363 ( -2.632 -0.000 -4.086) 4.860 4.513 ( 0.605 0.000 -0.479) 0.771 4.562 ( -9.059 -0.000 -0.889) 9.102 4.651 ( -1.872 -0.000 3.217) 3.722 4.813 ( -8.782 -0.000 6.114) 10.701 4.957 ( -5.348 -0.000 -4.165) 6.779 4.989 ( -1.149 -0.000 -4.349) 4.498 5.022 ( -1.324 -0.000 2.485) 2.816 5.091 ( -6.654 -0.000 2.266) 7.029 5.132 ( -3.302 -0.000 -0.367) 3.323 5.213 ( 3.980 0.000 -2.389) 4.642 5.645 ( -2.203 -0.000 4.720) 5.208 5.711 ( -4.207 -0.000 -2.816) 5.063 5.788 ( 4.414 0.000 -1.778) 4.759 6.008 ( -3.637 -0.000 2.671) 4.512 6.149 ( 6.203 0.000 -2.949) 6.868 6.625 ( 7.594 0.000 -3.794) 8.489 6.657 ( 3.992 0.000 2.873) 4.918 6.840 ( -2.767 -0.000 3.070) 4.133 6.880 ( 4.337 0.000 0.646) 4.385 7.233 ( -0.063 -0.000 -1.889) 1.890 7.302 ( 3.019 0.000 -4.269) 5.229 7.464 ( -7.519 -0.000 -4.575) 8.802 7.637 ( -1.051 -0.000 4.856) 4.969 7.640 ( 1.772 0.000 1.935) 2.623 7.885 ( -6.470 -0.000 4.252) 7.742 8.165 ( 2.023 0.000 2.364) 3.112 8.302 ( 0.106 0.000 -1.658) 1.662 8.337 ( -5.160 -0.000 -4.028) 6.546 8.460 ( 1.716 0.000 0.085) 1.718 9.053 ( 0.975 0.000 0.654) 1.174 9.069 ( 4.120 0.000 1.009) 4.242 9.175 ( -5.093 -0.000 -2.587) 5.712 9.518 ( -3.283 -0.000 -0.176) 3.288 9.769 ( -1.398 -0.000 0.602) 1.522 9.830 ( 4.308 0.000 -2.087) 4.787 9.994 ( -3.950 -0.000 5.814) 7.029 10.368 ( 7.338 0.000 -9.399) 11.924 10.505 ( -3.337 -0.000 6.482) 7.290 10.639 ( 1.544 0.000 -0.272) 1.568 11.100 ( 10.835 0.000 0.317) 10.840 11.170 ( 0.027 0.000 -1.772) 1.772 11.277 ( 0.255 0.000 1.688) 1.708 11.354 ( 5.656 0.000 0.057) 5.656 11.400 ( -6.284 -0.000 -1.436) 6.446 11.473 ( -0.355 -0.000 0.826) 0.899 12.165 ( -2.718 -0.000 0.095) 2.719 12.206 ( -0.613 -0.000 -0.133) 0.628 12.839 ( 8.269 0.000 2.146) 8.543 12.929 ( 4.757 0.000 -2.774) 5.507 13.060 ( -2.245 -0.000 0.199) 2.254 13.089 ( -4.298 -0.000 0.193) 4.303 16.170 ( -6.325 -0.000 -2.812) 6.922 16.301 ( -10.085 -0.000 2.648) 10.427 18.238 ( 5.632 0.000 0.220) 5.637 18.256 ( 5.500 0.000 -0.263) 5.507 18.648 ( 5.625 0.000 0.717) 5.671 18.712 ( 1.802 0.000 -0.901) 2.015 18.945 ( -5.927 -0.000 0.027) 5.928 18.996 ( -7.048 -0.000 0.353) 7.056 19.756 ( -2.575 -0.000 -1.230) 2.854 19.893 ( 0.775 0.000 7.451) 7.491 20.062 ( -1.371 -0.000 -9.513) 9.611 20.917 ( 7.358 0.000 12.748) 14.720 21.218 ( 6.698 0.000 1.267) 6.816 21.423 ( 6.165 0.000 -21.357) 22.229 21.909 ( -4.524 -0.000 7.132) 8.446 22.061 ( -0.467 -0.000 1.154) 1.245 22.185 ( 6.581 0.000 3.224) 7.329 22.419 ( 1.558 0.000 -2.964) 3.348 22.521 ( -0.852 -0.000 -1.603) 1.816 22.591 ( -8.958 -0.000 3.231) 9.523 22.782 ( -2.124 -0.000 -0.865) 2.294 22.804 ( -1.342 -0.000 0.251) 1.366 ======================= Grid point 47 (29/86) ======================= q-point: ( 0.50 0.40 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 3.474 3.107 0.667) 4.709 1.499 ( 3.120 6.727 1.484) 7.562 1.651 ( 7.480 -8.399 -4.463) 12.100 1.855 ( 6.749 -0.392 4.259) 7.990 1.990 ( -3.436 -1.789 -1.331) 4.096 2.100 ( -0.967 -3.295 0.321) 3.449 2.203 ( 2.033 1.236 -2.985) 3.817 2.306 ( 4.446 -0.263 0.268) 4.461 2.413 ( -0.877 -3.804 -0.495) 3.935 2.514 ( -6.668 -3.398 -0.800) 7.527 2.687 ( -3.670 3.874 5.514) 7.673 2.812 ( 8.408 -1.840 -0.475) 8.620 2.868 ( 2.573 0.010 2.126) 3.338 2.924 ( -0.191 -1.578 -0.290) 1.616 3.025 ( 4.101 -3.385 -5.883) 7.930 3.131 ( -9.997 -1.290 4.139) 10.897 3.162 ( 3.249 -0.514 0.143) 3.292 3.387 ( 7.226 1.956 -3.077) 8.093 3.494 ( -1.007 1.646 1.117) 2.230 3.497 ( -1.463 1.015 -1.435) 2.286 3.573 ( -7.219 0.846 1.293) 7.382 3.699 ( 8.922 6.505 -2.326) 11.284 3.723 ( 0.639 2.207 1.618) 2.810 3.859 ( -2.525 7.046 -1.643) 7.663 3.976 ( -1.173 -2.630 -0.497) 2.923 4.011 ( 9.473 -3.008 3.443) 10.519 4.099 ( -2.095 1.626 1.273) 2.942 4.229 ( -2.811 0.784 -1.033) 3.095 4.310 ( -4.329 2.027 -2.044) 5.199 4.477 ( -0.176 1.458 0.507) 1.554 4.556 ( -3.604 3.447 -1.926) 5.346 4.586 ( -5.240 -1.804 3.504) 6.556 4.769 ( -3.910 -1.746 0.462) 4.307 4.950 ( 0.191 -1.165 0.301) 1.218 5.002 ( -0.430 6.841 0.554) 6.877 5.046 ( -6.130 -2.644 -0.672) 6.710 5.067 ( 0.120 -7.908 -2.600) 8.325 5.129 ( -2.209 -7.421 1.808) 7.951 5.328 ( 4.444 -6.110 -1.528) 7.708 5.616 ( 1.262 2.357 4.102) 4.897 5.694 ( -5.380 -2.212 -2.870) 6.487 5.825 ( 0.987 -0.660 -0.702) 1.379 6.031 ( -0.916 -4.315 1.494) 4.657 6.200 ( 3.713 -0.805 -1.568) 4.110 6.643 ( 3.011 2.097 -1.301) 3.893 6.699 ( 5.200 -0.221 -0.265) 5.212 6.824 ( -3.599 -0.576 2.988) 4.713 6.896 ( 1.842 1.589 0.330) 2.455 7.172 ( -0.067 6.195 -0.884) 6.258 7.262 ( -0.967 4.660 -1.120) 4.889 7.411 ( -3.833 -0.222 -2.560) 4.614 7.606 ( 0.701 3.941 1.837) 4.405 7.685 ( 4.505 -2.892 0.854) 5.421 7.822 ( -7.038 2.087 1.059) 7.417 8.147 ( 0.573 3.186 0.842) 3.345 8.293 ( -0.557 -1.484 -0.000) 1.585 8.357 ( 0.660 -3.975 -1.360) 4.252 8.477 ( -0.211 -0.386 -0.233) 0.498 8.957 ( -0.002 10.271 0.116) 10.272 9.002 ( -2.050 11.364 0.850) 11.579 9.136 ( 2.073 -2.911 -1.812) 4.007 9.527 ( -2.622 -2.676 0.463) 3.775 9.766 ( -0.411 -0.149 0.358) 0.565 9.873 ( 5.516 -0.684 -2.786) 6.218 10.002 ( -3.938 -2.640 4.418) 6.480 10.391 ( 5.036 1.072 -6.016) 7.918 10.483 ( -3.360 0.537 4.851) 5.926 10.632 ( 0.679 1.848 -0.335) 1.997 11.146 ( 3.819 0.488 -1.148) 4.017 11.199 ( 3.085 -0.485 1.199) 3.345 11.310 ( -0.617 -1.943 -0.603) 2.126 11.368 ( 0.652 0.767 0.022) 1.007 11.391 ( 1.547 -1.024 0.207) 1.866 11.450 ( -2.969 0.239 0.069) 2.979 12.175 ( -1.159 -2.714 -0.039) 2.951 12.233 ( -0.506 -3.164 0.007) 3.204 12.728 ( 5.178 14.722 -0.230) 15.608 12.846 ( 2.870 14.774 0.733) 15.068 12.973 ( -2.329 1.866 -0.750) 3.077 13.075 ( -2.254 1.434 0.239) 2.682 16.132 ( -3.163 -0.700 -0.843) 3.347 16.252 ( -4.987 -0.635 0.789) 5.089 18.228 ( 5.114 3.571 -0.038) 6.237 18.275 ( -0.252 1.290 0.009) 1.314 18.659 ( 11.751 -0.047 0.257) 11.754 18.847 ( -11.392 -5.744 -0.060) 12.758 18.906 ( -1.749 -2.306 -0.853) 3.017 19.003 ( -1.213 -5.330 0.753) 5.518 19.602 ( -1.455 11.601 -0.699) 11.713 19.882 ( 2.240 4.896 10.125) 11.467 19.983 ( -2.170 4.567 -11.075) 12.174 20.873 ( 3.198 10.178 4.870) 11.728 21.277 ( 4.924 0.932 -0.357) 5.024 21.369 ( 3.101 3.378 -5.802) 7.395 21.873 ( -0.152 1.093 2.406) 2.647 22.061 ( 0.700 -0.412 -0.504) 0.956 22.139 ( -1.687 6.317 1.198) 6.647 22.412 ( 0.898 3.727 -1.037) 3.972 22.608 ( -1.980 -10.846 -0.006) 11.025 22.695 ( -1.190 -11.663 0.840) 11.754 22.810 ( -2.137 -4.831 -0.382) 5.296 22.859 ( -0.805 -5.429 0.080) 5.489 ======================= Grid point 48 (30/86) ======================= q-point: ( 0.60 0.40 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 -2.232 -0.000) 2.232 1.430 ( 0.000 0.747 0.000) 0.747 1.811 ( -0.000 -2.347 -0.000) 2.347 1.895 ( -0.000 -2.175 -0.000) 2.175 1.984 ( 0.000 2.168 0.000) 2.168 2.128 ( -0.000 -0.454 -0.000) 0.454 2.194 ( -0.000 -2.424 -0.000) 2.424 2.339 ( 0.000 0.077 0.000) 0.077 2.499 ( -0.000 -3.976 -0.000) 3.976 2.503 ( 0.000 4.750 0.000) 4.750 2.644 ( -0.000 -3.510 -0.000) 3.510 2.849 ( 0.000 1.365 0.000) 1.365 2.894 ( -0.000 -4.685 -0.000) 4.685 2.971 ( -0.000 -1.777 -0.000) 1.777 3.088 ( -0.000 -2.272 -0.000) 2.272 3.130 ( -0.000 -0.756 -0.000) 0.756 3.231 ( -0.000 -4.772 -0.000) 4.772 3.416 ( -0.000 -2.232 -0.000) 2.232 3.435 ( 0.000 5.702 0.000) 5.702 3.472 ( 0.000 1.944 0.000) 1.944 3.551 ( -0.000 -4.343 -0.000) 4.343 3.609 ( 0.000 3.499 0.000) 3.499 3.627 ( 0.000 7.386 0.000) 7.386 3.755 ( 0.000 2.553 0.000) 2.553 3.971 ( 0.000 9.171 0.000) 9.171 3.987 ( -0.000 -2.500 -0.000) 2.500 4.140 ( -0.000 -1.241 -0.000) 1.241 4.147 ( 0.000 5.350 0.000) 5.350 4.376 ( -0.000 -5.582 -0.000) 5.582 4.387 ( 0.000 4.723 0.000) 4.723 4.466 ( 0.000 1.864 0.000) 1.864 4.639 ( -0.000 -4.633 -0.000) 4.633 4.829 ( -0.000 -5.175 -0.000) 5.175 4.891 ( 0.000 3.505 0.000) 3.505 4.952 ( -0.000 -0.809 -0.000) 0.809 5.131 ( -0.000 -6.170 -0.000) 6.170 5.225 ( -0.000 -3.699 -0.000) 3.699 5.260 ( -0.000 -10.162 -0.000) 10.162 5.468 ( -0.000 -5.944 -0.000) 5.944 5.602 ( 0.000 0.866 0.000) 0.866 5.711 ( -0.000 -3.348 -0.000) 3.348 5.830 ( -0.000 -0.042 -0.000) 0.042 6.137 ( -0.000 -5.527 -0.000) 5.527 6.199 ( 0.000 2.081 0.000) 2.081 6.606 ( 0.000 2.380 0.000) 2.380 6.725 ( 0.000 0.319 0.000) 0.319 6.819 ( 0.000 7.814 0.000) 7.814 6.835 ( -0.000 -1.722 -0.000) 1.722 6.996 ( 0.000 10.694 0.000) 10.694 7.125 ( 0.000 8.617 0.000) 8.617 7.392 ( 0.000 1.038 0.000) 1.038 7.528 ( 0.000 4.931 0.000) 4.931 7.698 ( 0.000 4.814 0.000) 4.814 7.811 ( -0.000 -4.908 -0.000) 4.908 8.110 ( -0.000 -0.001 -0.000) 0.001 8.355 ( -0.000 -4.210 -0.000) 4.210 8.442 ( -0.000 -4.184 -0.000) 4.184 8.481 ( -0.000 -0.991 -0.000) 0.991 8.701 ( 0.000 15.367 0.000) 15.367 8.744 ( 0.000 13.346 0.000) 13.346 9.221 ( -0.000 -4.576 -0.000) 4.576 9.555 ( -0.000 -0.702 -0.000) 0.702 9.764 ( -0.000 -0.138 -0.000) 0.138 9.913 ( -0.000 -0.912 -0.000) 0.912 10.055 ( -0.000 -4.287 -0.000) 4.287 10.382 ( 0.000 0.919 0.000) 0.919 10.471 ( -0.000 -0.427 -0.000) 0.427 10.579 ( 0.000 3.655 0.000) 3.655 11.121 ( 0.000 3.704 0.000) 3.704 11.250 ( -0.000 -1.908 -0.000) 1.908 11.307 ( 0.000 0.998 0.000) 0.998 11.346 ( 0.000 2.717 0.000) 2.717 11.353 ( 0.000 3.233 0.000) 3.233 11.498 ( -0.000 -3.567 -0.000) 3.567 12.238 ( -0.000 -3.482 -0.000) 3.482 12.306 ( -0.000 -3.508 -0.000) 3.508 12.421 ( 0.000 17.255 0.000) 17.255 12.512 ( 0.000 18.618 0.000) 18.618 12.902 ( 0.000 4.264 0.000) 4.264 13.017 ( 0.000 3.538 0.000) 3.538 16.145 ( -0.000 -1.808 -0.000) 1.808 16.241 ( 0.000 0.058 0.000) 0.058 18.210 ( 0.000 1.767 0.000) 1.767 18.227 ( 0.000 1.229 0.000) 1.229 18.700 ( 0.000 2.764 0.000) 2.764 18.866 ( -0.000 -3.470 -0.000) 3.470 18.961 ( -0.000 -1.928 -0.000) 1.928 19.144 ( -0.000 -9.148 -0.000) 9.148 19.379 ( 0.000 8.654 0.000) 8.654 19.786 ( 0.000 8.353 0.000) 8.353 19.831 ( 0.000 6.843 0.000) 6.843 20.629 ( 0.000 16.790 0.000) 16.790 21.280 ( 0.000 0.869 0.000) 0.869 21.307 ( 0.000 2.650 0.000) 2.650 21.882 ( -0.000 -1.727 -0.000) 1.727 22.037 ( 0.000 3.731 0.000) 3.731 22.074 ( -0.000 -0.269 -0.000) 0.269 22.309 ( 0.000 5.960 0.000) 5.960 22.843 ( -0.000 -12.643 -0.000) 12.643 22.890 ( -0.000 -4.402 -0.000) 4.402 22.902 ( -0.000 -9.120 -0.000) 9.120 22.996 ( -0.000 -8.825 -0.000) 8.825 ======================= Grid point 59 (31/86) ======================= q-point: (-0.50 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.000 0.000) 0.000 1.553 ( -0.000 -0.000 0.000) 0.000 1.624 ( 0.000 0.000 -0.000) 0.000 1.839 ( -0.000 -0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 -0.000) 0.000 2.346 ( -0.000 -0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.414 ( -0.000 -0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.882 ( -0.000 -0.000 0.000) 0.000 2.915 ( 0.000 0.000 -0.000) 0.000 3.002 ( -0.000 -0.000 0.000) 0.000 3.089 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.437 ( 0.000 0.000 -0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 -0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.873 ( -0.000 -0.000 0.000) 0.000 3.943 ( -0.000 -0.000 0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 -0.000) 0.000 4.645 ( -0.000 -0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 -0.000) 0.000 4.972 ( -0.000 -0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.660 ( -0.000 -0.000 -0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 -0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.267 ( -0.000 -0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.121 ( -0.000 -0.000 -0.000) 0.000 9.480 ( 0.000 0.000 -0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.964 ( -0.000 -0.000 0.000) 0.000 10.422 ( -0.000 -0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.264 ( -0.000 -0.000 -0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.298 ( -0.000 -0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.044 ( -0.000 -0.000 0.000) 0.000 16.112 ( 0.000 0.000 0.000) 0.000 16.223 ( 0.000 0.000 0.000) 0.000 18.287 ( 0.000 0.000 0.000) 0.000 18.300 ( 0.000 0.000 0.000) 0.000 18.703 ( 0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 18.931 ( -0.000 -0.000 0.000) 0.000 19.731 ( 0.000 0.000 0.000) 0.000 19.943 ( -0.000 -0.000 -0.000) 0.000 20.002 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.272 ( 0.000 0.000 0.000) 0.000 21.417 ( -0.000 -0.000 0.000) 0.000 21.888 ( 0.000 0.000 0.000) 0.000 22.059 ( 0.000 0.000 -0.000) 0.000 22.263 ( 0.000 0.000 -0.000) 0.000 22.455 ( -0.000 -0.000 0.000) 0.000 22.480 ( 0.000 0.000 -0.000) 0.000 22.510 ( 0.000 0.000 0.000) 0.000 22.766 ( 0.000 0.000 0.000) 0.000 22.794 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/86) ======================= q-point: ( 0.00 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -0.405 -0.000 21.001) 21.005 0.470 ( 13.511 0.000 21.813) 25.658 0.717 ( -12.704 -0.000 30.873) 33.384 0.869 ( 0.173 0.000 -14.512) 14.513 0.914 ( -11.751 -0.000 -19.102) 22.427 1.356 ( 12.785 0.000 -24.966) 28.049 1.876 ( 7.446 0.000 12.530) 14.576 2.061 ( -0.281 -0.000 7.857) 7.862 2.115 ( -11.729 -0.000 -9.168) 14.887 2.223 ( -2.009 -0.000 -5.650) 5.997 2.602 ( -0.512 -0.000 5.383) 5.407 2.658 ( -1.319 -0.000 0.069) 1.321 2.873 ( -0.374 -0.000 6.050) 6.061 2.914 ( -4.123 -0.000 2.006) 4.585 3.148 ( -1.326 -0.000 -3.429) 3.677 3.199 ( 3.252 0.000 -6.828) 7.563 3.291 ( -17.616 -0.000 2.724) 17.825 3.338 ( 2.272 0.000 -0.876) 2.435 3.412 ( -1.984 -0.000 1.076) 2.257 3.479 ( 0.772 0.000 -5.260) 5.316 3.588 ( -7.563 -0.000 6.951) 10.272 3.718 ( 7.817 0.000 -4.125) 8.838 3.852 ( -6.184 -0.000 1.052) 6.273 3.880 ( 4.330 0.000 -0.303) 4.341 4.007 ( -0.338 -0.000 4.037) 4.051 4.118 ( 0.208 0.000 -7.127) 7.130 4.478 ( -5.218 -0.000 6.431) 8.281 4.549 ( 3.052 0.000 -0.370) 3.074 4.700 ( -2.418 -0.000 -2.253) 3.305 4.703 ( 4.343 0.000 -2.884) 5.213 4.727 ( -6.730 -0.000 2.390) 7.142 4.768 ( 0.901 0.000 -1.237) 1.530 5.008 ( -20.857 -0.000 4.321) 21.300 5.037 ( -3.489 -0.000 4.254) 5.502 5.092 ( -8.110 -0.000 4.783) 9.416 5.161 ( 7.176 0.000 -2.134) 7.487 5.241 ( 6.496 0.000 -5.489) 8.504 5.254 ( 9.199 0.000 -5.283) 10.608 5.695 ( 1.007 0.000 0.649) 1.199 5.698 ( -3.647 -0.000 0.202) 3.653 5.803 ( 2.656 0.000 1.227) 2.926 5.838 ( 0.381 0.000 -1.563) 1.609 6.169 ( 1.666 0.000 3.664) 4.024 6.204 ( -7.518 -0.000 3.200) 8.170 6.239 ( -1.866 -0.000 -2.238) 2.914 6.273 ( 10.030 0.000 -2.814) 10.417 6.407 ( 5.404 0.000 1.034) 5.502 6.451 ( -3.905 -0.000 -2.773) 4.789 6.814 ( 5.092 0.000 4.690) 6.923 6.913 ( -14.368 -0.000 -4.019) 14.920 7.257 ( -5.775 -0.000 5.843) 8.215 7.402 ( 5.382 0.000 -6.907) 8.756 8.055 ( -5.910 -0.000 6.911) 9.093 8.192 ( 7.488 0.000 -5.099) 9.059 8.241 ( -4.353 -0.000 3.768) 5.757 8.360 ( 8.871 0.000 -7.033) 11.321 8.622 ( 8.099 0.000 3.843) 8.965 8.720 ( -4.358 -0.000 -4.960) 6.603 8.722 ( -9.412 -0.000 6.570) 11.478 8.842 ( 13.550 0.000 -4.289) 14.213 9.160 ( -8.349 -0.000 5.738) 10.131 9.270 ( -7.820 -0.000 -3.982) 8.776 10.262 ( 9.388 0.000 0.118) 9.389 10.269 ( -18.163 -0.000 -0.478) 18.170 10.379 ( -4.303 -0.000 1.744) 4.643 10.414 ( 2.879 0.000 -1.303) 3.161 10.562 ( 6.132 0.000 0.129) 6.133 10.567 ( -6.957 -0.000 -0.285) 6.963 10.912 ( -36.120 -0.000 0.415) 36.122 10.926 ( 11.289 0.000 -0.704) 11.311 10.984 ( -13.901 -0.000 3.334) 14.295 11.057 ( 5.814 0.000 -2.952) 6.520 11.623 ( -1.963 -0.000 1.024) 2.214 11.651 ( 3.641 0.000 -1.493) 3.935 11.764 ( -13.853 -0.000 1.349) 13.919 11.787 ( 31.148 0.000 -0.775) 31.157 12.340 ( -1.020 -0.000 0.362) 1.083 12.349 ( 0.986 0.000 -0.351) 1.046 13.263 ( -1.433 -0.000 0.024) 1.433 13.263 ( 0.431 0.000 -0.031) 0.432 16.815 ( 23.139 0.000 0.335) 23.142 16.823 ( -71.553 -0.000 -0.346) 71.554 17.909 ( -2.432 -0.000 0.621) 2.510 17.924 ( 2.754 0.000 -0.724) 2.848 18.159 ( -8.916 -0.000 0.848) 8.957 18.177 ( 22.136 0.000 -0.721) 22.148 19.607 ( -4.089 0.000 0.019) 4.089 19.607 ( 16.147 0.000 0.024) 16.147 19.800 ( 3.601 0.000 1.945) 4.092 19.844 ( -4.027 -0.000 -1.821) 4.419 20.037 ( 2.352 0.000 0.437) 2.392 20.055 ( -3.589 -0.000 -1.109) 3.756 20.280 ( -9.581 -0.000 0.614) 9.601 20.288 ( -0.902 -0.000 -0.116) 0.909 21.989 ( -0.083 -0.000 -0.009) 0.083 21.990 ( 0.037 0.000 -0.110) 0.116 22.390 ( 2.832 0.000 1.692) 3.299 22.428 ( -0.365 -0.000 -1.601) 1.642 22.910 ( 1.901 0.000 0.368) 1.936 22.918 ( -1.871 -0.000 -0.319) 1.898 23.085 ( 1.515 0.000 0.174) 1.525 23.089 ( -7.129 -0.000 -0.177) 7.131 ======================= Grid point 108 (33/86) ======================= q-point: ( 0.10 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 5.040 -2.201 15.304) 16.262 0.828 ( 12.358 -1.452 -12.254) 17.463 0.881 ( 12.249 -13.354 10.731) 21.060 0.994 ( -1.926 -14.251 -11.724) 18.554 1.047 ( 7.182 -22.360 12.436) 26.574 1.465 ( 12.385 -6.792 -12.746) 19.026 1.863 ( -8.001 2.660 1.583) 8.579 1.983 ( 8.261 -0.834 7.216) 11.000 2.181 ( -1.514 -7.095 4.156) 8.361 2.324 ( 5.766 -8.256 -4.951) 11.222 2.577 ( 1.043 4.869 3.892) 6.320 2.647 ( 3.948 0.546 -0.371) 4.003 2.779 ( -3.276 4.806 1.633) 6.041 2.825 ( 1.888 3.629 -3.352) 5.289 3.091 ( -7.262 1.053 3.049) 7.946 3.143 ( -2.001 -2.161 4.457) 5.342 3.314 ( 0.525 0.901 -2.310) 2.535 3.324 ( 5.624 -0.024 -4.087) 6.953 3.460 ( -5.714 -7.130 1.724) 9.299 3.607 ( 0.053 -4.080 2.364) 4.716 3.633 ( -2.286 -3.271 -2.530) 4.725 3.792 ( 4.047 1.622 -3.213) 5.417 3.822 ( -7.352 -3.175 0.909) 8.060 3.891 ( -3.626 -0.322 0.241) 3.648 4.005 ( 2.142 -0.322 3.630) 4.227 4.128 ( 10.086 3.424 -7.961) 13.298 4.471 ( -4.738 -0.422 9.585) 10.700 4.511 ( -4.662 1.491 2.667) 5.574 4.533 ( -3.881 9.380 0.168) 10.153 4.631 ( 0.850 4.816 -4.612) 6.722 4.722 ( 0.903 5.342 0.422) 5.434 4.767 ( 3.792 -3.739 -7.035) 8.823 4.881 ( -5.850 5.935 5.947) 10.238 5.040 ( -3.488 -3.276 1.556) 5.032 5.113 ( -2.227 -2.411 1.578) 3.641 5.251 ( -2.646 -4.957 1.394) 5.789 5.321 ( 7.443 -1.643 -9.356) 12.068 5.372 ( 4.630 -3.043 -1.340) 5.700 5.624 ( -11.960 0.344 -0.780) 11.990 5.682 ( -2.308 -0.383 0.128) 2.343 5.792 ( -1.027 1.247 0.807) 1.805 5.901 ( 3.039 -2.532 -1.076) 4.100 6.063 ( 2.592 6.181 1.598) 6.890 6.145 ( -1.195 -0.298 0.910) 1.532 6.225 ( 3.553 3.529 -0.425) 5.026 6.378 ( 5.897 -3.045 1.525) 6.810 6.408 ( -0.964 0.711 3.816) 4.000 6.569 ( 7.030 -6.840 -9.932) 13.958 6.849 ( 6.180 2.918 0.966) 6.902 6.907 ( 11.670 1.716 0.086) 11.796 7.251 ( -2.494 -1.713 5.122) 5.949 7.441 ( 5.367 -0.732 -6.263) 8.280 7.981 ( -8.127 2.545 4.022) 9.418 8.063 ( 2.257 8.551 2.240) 9.123 8.269 ( 1.677 9.154 1.613) 9.445 8.339 ( 3.518 2.866 -8.870) 9.964 8.563 ( -10.538 -0.688 4.458) 11.462 8.699 ( 3.257 -0.336 -0.017) 3.274 8.754 ( 2.155 -1.317 0.460) 2.567 8.939 ( 11.144 -1.183 -5.929) 12.678 9.059 ( -11.165 5.328 11.519) 16.904 9.121 ( -2.956 1.630 10.031) 10.584 9.812 ( -8.821 9.117 9.001) 15.555 10.171 ( 6.504 13.537 -7.516) 16.794 10.354 ( -8.282 1.580 3.445) 9.108 10.477 ( -2.044 1.993 1.281) 3.129 10.498 ( -6.692 -3.227 -3.328) 8.141 10.602 ( 4.562 -5.016 1.610) 6.969 10.848 ( -7.458 -3.614 3.149) 8.866 10.953 ( 2.497 2.105 2.264) 3.974 11.050 ( -1.201 -3.549 -3.262) 4.968 11.200 ( 15.906 -1.503 2.399) 16.156 11.575 ( -9.071 3.126 -0.865) 9.634 11.632 ( -1.984 -1.297 -0.256) 2.384 11.734 ( 7.267 0.586 -1.463) 7.436 11.861 ( 21.780 11.462 -2.531) 24.742 12.341 ( -0.899 0.015 0.791) 1.198 12.364 ( 0.274 -0.785 -0.307) 0.886 13.231 ( -1.363 1.975 0.900) 2.563 13.278 ( -0.855 0.807 -2.679) 2.926 16.336 ( -15.171 4.884 11.721) 19.784 16.789 ( 14.878 16.098 0.848) 21.937 17.971 ( 0.271 -5.711 1.431) 5.894 18.015 ( 2.414 -6.420 -0.075) 6.860 18.137 ( -19.069 -7.267 -0.491) 20.413 18.588 ( 23.842 -9.852 -6.706) 26.655 19.467 ( -8.523 3.417 -0.998) 9.237 19.571 ( 7.157 8.193 1.427) 10.972 19.764 ( -5.298 4.775 -0.514) 7.151 19.900 ( 4.576 7.687 -4.927) 10.213 19.985 ( -5.039 2.802 0.587) 5.795 20.053 ( 6.544 0.507 -0.905) 6.626 20.348 ( 0.442 -9.376 6.690) 11.527 20.561 ( 14.319 -17.132 -5.972) 23.113 21.872 ( 0.394 4.538 4.805) 6.621 21.928 ( 0.986 3.960 -1.654) 4.403 22.373 ( -2.534 3.886 0.956) 4.736 22.466 ( 3.074 0.559 -4.173) 5.213 22.784 ( -4.185 1.151 8.182) 9.262 22.919 ( -0.564 -3.032 -5.310) 6.141 23.208 ( -3.786 -9.247 7.087) 12.251 23.350 ( -10.160 -15.953 -11.915) 22.353 ======================= Grid point 109 (34/86) ======================= q-point: ( 0.20 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 6.316 -9.711 -3.319) 12.050 0.911 ( 13.189 -3.335 -6.677) 15.154 1.154 ( 2.355 -10.995 -6.366) 12.922 1.341 ( 8.162 -15.028 9.812) 19.716 1.614 ( 12.855 -21.134 6.799) 25.654 1.727 ( 9.295 -10.606 0.415) 14.109 1.879 ( 1.671 -4.956 -0.080) 5.231 2.100 ( 8.304 -0.843 4.401) 9.436 2.272 ( 0.378 -5.263 3.782) 6.492 2.499 ( 4.510 -4.230 -5.500) 8.275 2.570 ( 1.366 3.347 -9.355) 10.029 2.640 ( 10.148 -3.529 -1.989) 10.927 2.738 ( 3.929 -3.332 1.785) 5.452 2.898 ( 5.332 -4.135 -2.522) 7.204 3.028 ( -8.804 -0.103 3.826) 9.600 3.181 ( -2.536 -1.518 1.895) 3.511 3.273 ( -2.341 1.007 1.246) 2.837 3.322 ( 1.437 2.649 -1.437) 3.339 3.537 ( -0.918 -2.634 -2.193) 3.549 3.607 ( -3.571 0.061 -1.027) 3.717 3.664 ( -2.892 -1.462 2.842) 4.310 3.709 ( 0.035 7.032 0.178) 7.035 3.750 ( -2.876 4.637 -1.184) 5.584 3.876 ( -10.464 -3.385 -0.092) 10.998 4.058 ( 7.103 3.818 -5.337) 9.671 4.107 ( 0.804 0.240 3.144) 3.254 4.297 ( -6.061 8.191 1.099) 10.248 4.448 ( -10.248 0.406 4.168) 11.070 4.472 ( 0.735 1.327 4.001) 4.279 4.583 ( -4.106 1.097 -0.444) 4.273 4.626 ( 3.502 3.415 -0.804) 4.958 4.787 ( -0.693 0.581 2.546) 2.701 4.851 ( 2.625 -3.582 -4.651) 6.430 5.050 ( 1.643 1.027 -2.327) 3.028 5.127 ( -1.038 0.874 2.993) 3.287 5.266 ( -3.914 1.212 -4.639) 6.189 5.330 ( -2.775 -1.995 -0.086) 3.418 5.406 ( -0.701 0.809 3.572) 3.729 5.529 ( -6.826 0.600 -1.822) 7.091 5.708 ( -2.000 -2.642 -1.691) 3.721 5.786 ( 1.823 -1.427 1.900) 2.995 5.933 ( 2.036 0.750 -2.334) 3.187 6.037 ( 4.079 0.894 0.015) 4.176 6.094 ( -6.054 2.144 -0.177) 6.425 6.238 ( 8.510 2.207 -1.055) 8.854 6.431 ( 7.731 -1.255 1.662) 8.007 6.474 ( 5.362 0.257 3.898) 6.634 6.676 ( 9.198 0.387 -9.028) 12.894 6.833 ( 10.732 6.088 -1.032) 12.382 6.919 ( 3.551 2.863 3.201) 5.573 7.305 ( 0.445 -3.193 3.667) 4.883 7.478 ( 4.078 -0.478 -5.024) 6.488 7.875 ( -5.911 3.059 3.301) 7.429 7.934 ( 1.012 7.929 4.401) 9.125 8.124 ( 1.942 3.854 -1.712) 4.643 8.205 ( 0.962 9.485 -5.032) 10.780 8.584 ( -4.755 -3.260 -1.256) 5.901 8.706 ( -1.524 -0.573 2.232) 2.763 8.776 ( 1.288 2.476 3.269) 4.299 8.910 ( -9.449 3.093 8.084) 12.814 9.066 ( 8.964 -4.207 -7.299) 12.301 9.143 ( -1.745 -1.893 7.895) 8.304 9.726 ( 0.279 -0.269 -0.289) 0.483 9.953 ( 2.722 9.428 -4.894) 10.966 10.307 ( -3.275 -0.016 1.778) 3.727 10.387 ( -0.591 4.809 -0.471) 4.868 10.516 ( -8.478 -5.004 -0.755) 9.874 10.713 ( -0.633 -3.706 4.037) 5.516 10.851 ( 1.923 1.191 -0.478) 2.312 10.936 ( 4.644 2.853 0.887) 5.522 11.074 ( -0.049 -0.052 -1.901) 1.902 11.255 ( 6.359 4.863 -0.789) 8.045 11.478 ( -1.853 2.265 0.553) 2.979 11.635 ( -3.880 -0.654 -0.466) 3.962 11.765 ( 6.084 1.577 -0.237) 6.290 11.803 ( 16.795 8.994 -0.580) 19.060 12.334 ( -1.554 -0.623 1.563) 2.290 12.380 ( -0.457 -1.298 -0.868) 1.627 13.158 ( -1.514 4.991 1.196) 5.351 13.202 ( -2.215 4.452 -2.065) 5.385 16.262 ( -1.062 1.180 4.825) 5.079 16.585 ( 6.256 11.975 -2.360) 13.715 18.081 ( -5.863 -5.930 0.888) 8.386 18.158 ( -5.056 -7.420 -0.988) 9.033 18.194 ( 0.936 -9.403 0.430) 9.459 18.798 ( 17.181 2.777 0.422) 17.409 19.326 ( -8.343 6.689 -0.095) 10.694 19.428 ( 1.265 8.251 -0.781) 8.384 19.635 ( -0.610 5.028 1.965) 5.433 19.690 ( -1.705 11.041 -2.519) 11.452 19.888 ( 1.395 6.172 -0.940) 6.397 20.098 ( 11.342 2.601 -0.825) 11.666 20.537 ( -8.675 -12.867 0.111) 15.519 20.992 ( 14.441 -14.156 1.359) 20.268 21.862 ( -0.762 -1.738 -1.056) 2.172 21.915 ( 3.619 -0.918 0.861) 3.832 22.245 ( -3.687 6.542 1.918) 7.750 22.403 ( 1.965 6.193 -4.462) 7.882 22.809 ( -3.601 -3.913 7.735) 9.387 22.988 ( 0.856 -4.786 -6.945) 8.478 23.323 ( -6.816 -4.875 8.311) 11.803 23.445 ( -8.537 -5.801 -7.790) 12.931 ======================= Grid point 110 (35/86) ======================= q-point: ( 0.30 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 3.313 -10.440 -5.645) 12.322 1.157 ( 8.309 -10.250 2.935) 13.517 1.386 ( 4.626 -11.873 1.519) 12.833 1.614 ( 6.481 -4.733 5.925) 9.976 1.883 ( 7.243 -2.545 -0.516) 7.694 1.977 ( -1.641 -10.007 -2.002) 10.336 2.108 ( 13.396 -8.379 -3.113) 16.105 2.244 ( 9.912 -7.718 -1.700) 12.677 2.377 ( -0.940 -0.342 4.215) 4.332 2.458 ( 5.204 -1.269 3.221) 6.250 2.692 ( 4.325 -5.449 -6.879) 9.784 2.796 ( 6.122 -3.223 -2.720) 7.434 2.872 ( 5.999 -3.071 5.255) 8.547 2.900 ( -5.747 0.295 1.246) 5.888 3.063 ( 0.999 -5.805 -5.111) 7.799 3.182 ( -2.253 -2.906 1.834) 4.109 3.223 ( -0.879 2.227 -1.099) 2.634 3.310 ( -1.157 -1.169 -0.637) 1.764 3.437 ( -4.409 9.562 0.758) 10.557 3.563 ( -0.667 4.781 -1.650) 5.101 3.642 ( 0.470 -0.772 -1.281) 1.568 3.665 ( -0.566 -1.603 0.972) 1.958 3.690 ( -2.914 -0.180 -1.460) 3.264 3.821 ( -8.338 1.515 1.971) 8.701 4.016 ( 0.521 1.002 -3.252) 3.443 4.033 ( -4.631 4.562 5.925) 8.796 4.154 ( 0.717 6.072 1.640) 6.330 4.373 ( -9.280 0.608 3.024) 9.779 4.447 ( -4.083 0.026 -1.297) 4.284 4.588 ( 2.648 -1.660 0.671) 3.196 4.598 ( 1.299 -0.306 -4.549) 4.740 4.835 ( -6.164 -5.206 3.523) 8.804 4.934 ( 2.888 -2.834 -2.217) 4.614 5.006 ( 2.962 4.631 -2.476) 6.028 5.093 ( 1.471 2.624 1.798) 3.504 5.219 ( -7.225 -1.638 1.288) 7.520 5.311 ( -7.991 -1.975 0.377) 8.240 5.429 ( 4.304 -1.321 -0.145) 4.504 5.489 ( -1.860 0.132 -0.611) 1.962 5.698 ( -4.706 -0.572 1.460) 4.960 5.882 ( 0.894 1.079 -0.697) 1.565 5.900 ( 4.080 -0.882 -0.330) 4.187 6.027 ( 0.475 0.550 -0.827) 1.101 6.054 ( 5.271 1.315 -0.992) 5.523 6.249 ( 7.656 3.053 -1.145) 8.321 6.449 ( 10.144 8.096 0.078) 12.979 6.548 ( 4.048 -3.874 1.249) 5.741 6.680 ( 3.902 2.731 -3.693) 6.027 6.784 ( 5.248 4.423 1.170) 6.962 6.915 ( 4.376 1.287 1.589) 4.830 7.362 ( -0.235 -1.193 1.990) 2.332 7.495 ( 2.045 0.477 -2.951) 3.621 7.770 ( -3.820 4.910 2.506) 6.707 7.822 ( 2.429 4.918 2.451) 6.008 8.003 ( 1.604 9.033 -1.607) 9.314 8.159 ( 5.453 -2.219 -5.823) 8.281 8.555 ( -5.324 1.692 -0.892) 5.657 8.671 ( -6.436 5.362 4.300) 9.416 8.707 ( -2.568 0.428 -1.300) 2.910 8.837 ( -9.495 -1.392 10.136) 13.959 9.153 ( -0.344 0.158 0.788) 0.874 9.212 ( 7.088 -4.348 -6.290) 10.426 9.767 ( 0.890 -1.403 -1.538) 2.264 9.879 ( 2.514 -0.949 -0.348) 2.710 10.272 ( -1.658 1.308 -1.768) 2.754 10.333 ( 0.787 0.835 1.566) 1.942 10.554 ( -5.706 -4.766 1.303) 7.548 10.763 ( -4.535 -3.271 3.935) 6.837 10.821 ( 3.850 4.348 -1.715) 6.055 10.921 ( 6.725 3.486 -0.769) 7.614 11.047 ( 0.372 2.299 -0.882) 2.491 11.158 ( 3.086 8.262 -0.930) 8.869 11.424 ( -0.307 3.121 0.274) 3.148 11.589 ( -1.759 2.469 -0.409) 3.059 11.786 ( 9.462 3.973 0.322) 10.267 11.790 ( 4.026 -0.210 -0.164) 4.035 12.363 ( -0.536 -2.951 1.377) 3.300 12.413 ( 0.002 -2.867 -1.037) 3.049 13.013 ( -3.517 7.749 0.094) 8.511 13.096 ( -1.361 4.647 -0.410) 4.859 16.253 ( 0.736 0.721 2.491) 2.696 16.437 ( 2.398 6.726 -2.195) 7.470 18.114 ( -7.603 -4.407 -0.526) 8.803 18.298 ( 0.656 -7.053 1.402) 7.220 18.386 ( 1.381 -9.351 -0.997) 9.505 18.816 ( 11.187 6.129 1.276) 12.819 19.075 ( -7.935 9.943 -0.835) 12.748 19.342 ( -1.389 1.982 1.160) 2.684 19.486 ( 0.932 9.087 -1.757) 9.302 19.543 ( -2.310 4.306 0.477) 4.910 19.785 ( 4.918 6.488 -0.017) 8.141 20.121 ( 9.694 3.570 -0.486) 10.342 20.702 ( -8.271 -11.395 -0.532) 14.090 21.313 ( 8.741 -9.440 1.713) 12.979 21.904 ( -0.667 -3.297 -1.669) 3.755 21.973 ( 2.636 -0.481 0.395) 2.708 22.100 ( -2.743 5.469 3.005) 6.817 22.269 ( 0.649 7.060 -4.318) 8.301 22.888 ( -1.820 -4.625 5.984) 7.779 23.066 ( 1.494 -3.664 -6.147) 7.310 23.337 ( -6.567 -1.031 5.360) 8.540 23.443 ( -5.909 -2.002 -3.630) 7.218 ======================= Grid point 111 (36/86) ======================= q-point: ( 0.40 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.941 -9.712 1.820) 9.926 1.384 ( 2.324 -8.865 2.647) 9.539 1.637 ( 2.386 -2.604 0.755) 3.612 1.734 ( 9.713 -8.007 0.951) 12.624 1.960 ( 7.970 2.696 -4.975) 9.775 2.067 ( 1.775 -0.507 -4.550) 4.910 2.189 ( 2.400 -0.859 -1.222) 2.827 2.397 ( 0.162 -2.770 5.066) 5.776 2.502 ( 1.107 -1.460 0.525) 1.906 2.604 ( 7.228 -11.795 0.841) 13.859 2.717 ( -2.120 -0.096 0.969) 2.333 2.789 ( -7.286 0.919 1.623) 7.521 2.872 ( 2.908 -1.385 -5.068) 6.005 3.016 ( 4.934 -1.132 3.970) 6.434 3.099 ( -0.031 1.734 -1.891) 2.566 3.196 ( 0.107 6.293 -1.015) 6.375 3.243 ( -4.923 -1.192 2.799) 5.787 3.327 ( 5.845 -7.153 -3.392) 9.840 3.348 ( 2.313 -3.753 -1.771) 4.752 3.498 ( 1.071 1.112 -3.700) 4.009 3.540 ( -3.181 8.659 4.275) 10.168 3.636 ( -3.440 3.173 -0.935) 4.772 3.705 ( -0.662 1.752 2.404) 3.047 3.796 ( -2.005 -6.112 0.226) 6.436 3.971 ( -3.200 0.618 3.076) 4.481 4.026 ( -1.934 -3.098 -3.402) 4.990 4.061 ( 1.575 5.082 2.577) 5.911 4.300 ( -2.959 1.137 -0.167) 3.174 4.444 ( -5.587 -3.854 -2.656) 7.288 4.604 ( -1.683 -0.235 -1.597) 2.332 4.637 ( 4.552 0.667 0.593) 4.639 4.845 ( -8.326 -1.529 1.203) 8.550 4.942 ( 1.115 3.717 -2.089) 4.408 4.955 ( 3.025 1.290 -0.441) 3.318 5.082 ( 3.886 0.434 2.495) 4.638 5.238 ( -10.784 -3.727 1.788) 11.549 5.303 ( -3.504 -4.622 0.234) 5.805 5.469 ( -0.540 -0.540 0.443) 0.883 5.499 ( 4.040 0.419 0.312) 4.073 5.686 ( -0.115 0.099 0.444) 0.469 5.768 ( -2.833 4.867 -1.359) 5.793 6.015 ( 6.033 -3.736 0.611) 7.122 6.042 ( 1.206 0.182 -0.472) 1.308 6.100 ( 8.237 -0.894 -0.859) 8.330 6.239 ( 3.225 2.287 -0.862) 4.046 6.367 ( 5.869 6.143 -1.381) 8.608 6.560 ( -0.290 3.694 1.601) 4.036 6.686 ( 0.285 -1.436 -0.703) 1.624 6.786 ( 3.376 -0.983 -0.101) 3.517 6.932 ( 4.993 1.372 0.460) 5.198 7.339 ( -3.356 2.017 1.403) 4.159 7.471 ( -1.439 2.023 0.068) 2.483 7.702 ( 3.587 0.983 -2.714) 4.604 7.761 ( -0.368 3.112 0.827) 3.241 7.904 ( 4.715 3.586 1.694) 6.161 8.242 ( 7.155 -1.992 -7.313) 10.423 8.437 ( -8.830 5.521 4.402) 11.306 8.517 ( -6.819 2.691 -1.522) 7.487 8.679 ( -3.402 0.074 -0.202) 3.409 8.840 ( -6.197 -2.254 11.832) 13.545 9.131 ( -0.617 1.191 -0.236) 1.361 9.315 ( 6.451 -2.184 -9.113) 11.377 9.763 ( -1.357 0.319 0.920) 1.671 9.984 ( 1.754 -5.614 0.036) 5.881 10.264 ( 2.393 -0.349 -2.554) 3.517 10.339 ( 0.080 -0.415 2.472) 2.508 10.611 ( -4.962 -5.071 2.720) 7.598 10.739 ( 2.109 5.573 -1.798) 6.224 10.799 ( -5.420 -4.100 2.060) 7.101 10.901 ( 6.809 4.255 -2.185) 8.321 10.978 ( 1.309 7.176 -0.860) 7.345 11.035 ( 2.079 3.562 1.064) 4.259 11.359 ( -1.325 2.531 -0.676) 2.936 11.533 ( 0.005 2.316 0.332) 2.339 11.789 ( 4.112 1.451 -0.004) 4.361 11.833 ( 1.753 -1.420 0.109) 2.258 12.431 ( 0.362 -3.366 0.425) 3.412 12.493 ( 1.738 -5.026 -0.316) 5.328 12.827 ( -4.279 8.004 -0.374) 9.084 13.004 ( -0.733 3.796 0.253) 3.875 16.255 ( 0.361 -0.086 1.441) 1.488 16.348 ( 0.867 3.623 -1.466) 4.003 18.138 ( -3.442 -2.722 -0.504) 4.418 18.407 ( -0.325 -3.716 2.607) 4.551 18.555 ( -0.730 -7.708 -2.648) 8.183 18.756 ( 7.099 8.527 -0.931) 11.134 18.903 ( -4.938 0.773 2.392) 5.541 19.294 ( -2.259 3.051 -1.912) 4.251 19.363 ( 4.683 5.176 2.157) 7.306 19.446 ( -3.948 2.232 -1.739) 4.858 19.725 ( 4.106 3.744 0.846) 5.620 20.118 ( 5.073 2.587 -0.130) 5.695 20.832 ( -4.378 -7.193 -0.338) 8.427 21.506 ( 3.613 -5.377 1.048) 6.562 21.925 ( -0.826 4.042 -0.612) 4.170 21.957 ( -0.813 -2.890 -1.251) 3.252 22.031 ( 0.228 3.334 2.956) 4.461 22.166 ( 1.022 2.726 -2.744) 4.000 22.973 ( -0.272 -3.787 3.197) 4.963 23.116 ( 0.836 -1.389 -3.214) 3.600 23.305 ( -3.791 0.315 1.962) 4.280 23.425 ( -3.240 -0.634 -1.074) 3.472 ======================= Grid point 112 (37/86) ======================= q-point: (-0.50 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.370 -7.784 5.550) 10.136 1.496 ( 1.411 3.127 -0.710) 3.504 1.589 ( 2.192 1.770 -9.399) 9.812 1.875 ( -2.263 6.356 2.668) 7.255 1.957 ( 4.435 -3.372 4.616) 7.235 2.110 ( -0.176 1.343 -7.067) 7.195 2.144 ( -1.005 0.647 5.696) 5.820 2.437 ( -2.172 -1.747 3.013) 4.104 2.526 ( 2.489 -1.193 -4.814) 5.549 2.690 ( -1.608 0.117 -0.250) 1.631 2.755 ( 3.007 2.626 0.121) 3.994 2.795 ( -4.367 -5.307 -1.099) 6.960 2.949 ( 3.183 -3.174 -1.207) 4.655 3.008 ( -1.453 5.692 -0.146) 5.877 3.055 ( 1.142 1.657 1.979) 2.822 3.107 ( 1.620 -3.266 -2.828) 4.614 3.238 ( -3.354 1.476 5.421) 6.544 3.357 ( -4.387 2.187 4.437) 6.612 3.432 ( -2.499 2.639 3.993) 5.399 3.489 ( 0.941 -0.039 -2.217) 2.409 3.503 ( 3.003 -3.565 -4.564) 6.524 3.556 ( 3.503 -0.282 -3.799) 5.175 3.699 ( 2.120 -1.296 -0.034) 2.485 3.862 ( -5.166 1.286 2.459) 5.864 3.951 ( 1.526 -1.211 0.051) 1.948 4.002 ( -0.674 1.663 0.968) 2.039 4.082 ( 1.490 -3.769 -4.933) 6.385 4.279 ( 0.956 0.369 -0.155) 1.037 4.442 ( -0.314 2.813 1.216) 3.081 4.579 ( 1.225 1.428 1.553) 2.440 4.656 ( 0.288 -0.799 0.298) 0.900 4.819 ( -3.868 -1.633 -1.470) 4.449 4.887 ( 0.238 1.123 -0.962) 1.498 4.974 ( 3.580 -0.963 -1.841) 4.139 5.146 ( 6.438 -1.522 2.541) 7.087 5.161 ( -10.097 0.810 1.331) 10.217 5.412 ( 0.042 -0.921 1.249) 1.553 5.454 ( 1.528 1.826 0.943) 2.561 5.491 ( 0.794 -0.163 -0.512) 0.958 5.677 ( -0.634 0.532 0.797) 1.149 5.703 ( -0.488 -0.386 -1.486) 1.611 6.039 ( 0.989 0.918 0.082) 1.352 6.114 ( 1.216 5.971 0.323) 6.102 6.135 ( -2.267 -5.466 -0.476) 5.936 6.233 ( 0.507 -2.691 -1.012) 2.920 6.315 ( 0.517 2.007 -0.593) 2.156 6.527 ( 0.949 -1.012 -0.022) 1.387 6.681 ( -1.898 0.142 -0.186) 1.912 6.832 ( -0.038 -0.582 0.320) 0.666 6.937 ( 1.192 0.717 -0.157) 1.400 7.300 ( 0.730 -0.277 0.137) 0.793 7.429 ( -0.944 0.300 1.624) 1.902 7.691 ( -4.376 1.453 0.488) 4.637 7.763 ( 3.026 -3.180 -4.392) 6.210 7.923 ( 5.162 -0.535 -0.644) 5.229 8.215 ( -10.312 4.115 3.418) 11.617 8.368 ( 7.005 -1.465 -0.814) 7.203 8.470 ( 1.791 -0.195 -4.439) 4.791 8.656 ( -2.105 0.140 1.815) 2.783 8.862 ( -2.578 -0.651 11.462) 11.767 9.109 ( 0.026 0.584 -0.944) 1.110 9.352 ( 2.230 -0.389 -8.973) 9.254 9.762 ( 0.825 -0.341 -0.271) 0.933 10.050 ( -1.225 0.048 1.519) 1.952 10.273 ( 1.310 1.360 -1.266) 2.273 10.359 ( -1.068 -1.334 1.263) 2.125 10.649 ( -0.862 0.615 1.965) 2.232 10.706 ( -0.831 -3.746 0.890) 3.939 10.799 ( 0.527 5.785 -1.477) 5.993 10.842 ( 3.889 0.069 -1.701) 4.245 10.929 ( -2.722 -2.495 0.591) 3.740 11.020 ( 0.121 -0.081 0.463) 0.486 11.322 ( -0.021 0.213 -0.874) 0.899 11.510 ( -0.323 -0.053 0.813) 0.876 11.792 ( 0.164 0.108 -0.126) 0.233 11.857 ( 0.011 -0.141 0.017) 0.143 12.471 ( 0.065 0.037 0.019) 0.077 12.606 ( 0.438 -0.659 0.186) 0.813 12.673 ( -0.859 0.497 -0.611) 1.166 12.961 ( 0.392 0.151 0.391) 0.573 16.271 ( -0.708 -1.466 1.200) 2.023 16.303 ( 0.698 1.449 -1.274) 2.052 18.152 ( -0.043 -0.026 -0.289) 0.294 18.464 ( 0.218 -1.842 3.929) 4.344 18.586 ( 0.466 3.804 -5.605) 6.790 18.695 ( -0.885 -1.437 -0.036) 1.688 18.927 ( -0.396 -2.082 3.973) 4.503 19.202 ( 1.252 3.146 -3.137) 4.616 19.353 ( -0.220 -0.861 2.589) 2.737 19.410 ( -0.335 -0.356 -1.825) 1.890 19.711 ( -0.111 -0.546 0.487) 0.740 20.111 ( -0.009 0.040 0.053) 0.067 20.885 ( 0.051 0.198 -0.111) 0.233 21.577 ( -0.172 -0.203 0.800) 0.843 21.873 ( -0.445 -0.026 -0.450) 0.634 21.968 ( 1.605 2.145 1.036) 2.873 22.018 ( -0.972 -3.470 -2.655) 4.476 22.137 ( 0.118 1.659 0.880) 1.881 23.033 ( 0.685 -1.626 -0.006) 1.765 23.107 ( -1.571 1.721 1.150) 2.599 23.294 ( 1.056 -0.297 -0.596) 1.248 23.415 ( -0.294 0.004 -0.147) 0.328 ======================= Grid point 113 (38/86) ======================= q-point: (-0.40 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.410 12.089 -7.492) 14.228 1.405 ( -4.197 3.855 5.286) 7.773 1.576 ( -4.741 -2.700 2.159) 5.867 1.701 ( -6.343 9.880 2.345) 11.973 1.933 ( -3.035 3.947 -1.256) 5.135 2.011 ( 2.682 3.983 -1.348) 4.988 2.164 ( -6.432 -0.739 -0.765) 6.519 2.445 ( -4.484 0.556 2.571) 5.199 2.554 ( -1.608 0.482 -3.236) 3.646 2.640 ( -0.424 4.139 -1.982) 4.609 2.668 ( -3.912 10.179 3.682) 11.510 2.807 ( 2.420 -2.699 1.275) 3.843 2.892 ( 3.032 -0.181 -4.977) 5.830 3.050 ( 1.074 0.376 1.617) 1.977 3.069 ( -3.241 -0.783 -0.855) 3.442 3.188 ( -0.770 -0.731 1.149) 1.565 3.219 ( -5.629 -0.077 2.814) 6.293 3.273 ( 2.979 -0.441 -2.034) 3.634 3.372 ( -0.785 3.230 0.607) 3.379 3.446 ( 2.733 -2.741 -2.045) 4.378 3.567 ( -3.872 -1.658 2.117) 4.714 3.638 ( 1.714 -3.089 -0.675) 3.596 3.744 ( 4.483 1.845 0.359) 4.861 3.784 ( 0.623 1.798 0.021) 1.903 3.954 ( -1.002 2.372 2.699) 3.730 3.996 ( -0.413 -2.449 0.055) 2.484 4.160 ( 1.609 -3.450 -3.596) 5.237 4.338 ( 9.303 -3.638 -3.274) 10.512 4.369 ( 4.724 5.690 3.028) 7.991 4.566 ( 2.564 2.376 0.766) 3.579 4.670 ( -2.933 -2.094 -1.698) 3.983 4.829 ( -0.853 -0.809 0.618) 1.329 4.911 ( 0.327 -2.110 0.868) 2.305 5.027 ( 4.846 -0.245 -4.449) 6.583 5.086 ( -7.471 -1.223 1.801) 7.782 5.236 ( 7.119 -0.346 2.561) 7.573 5.287 ( 4.243 8.541 1.168) 9.608 5.472 ( -3.138 1.784 1.692) 3.987 5.491 ( 1.153 0.058 -0.739) 1.370 5.699 ( 0.572 -0.691 -0.006) 0.897 5.744 ( 1.363 -4.602 -0.207) 4.804 6.002 ( -7.200 -0.203 0.933) 7.263 6.031 ( -1.390 1.174 0.354) 1.853 6.105 ( -6.782 3.967 -1.162) 7.942 6.268 ( -0.981 -1.368 -3.116) 3.542 6.329 ( -4.809 -5.426 1.831) 7.478 6.619 ( 1.572 -5.566 -2.353) 6.244 6.663 ( -2.916 0.151 0.894) 3.053 6.800 ( -2.226 1.146 -0.880) 2.654 6.926 ( -5.211 -1.192 0.826) 5.409 7.352 ( 1.834 -2.517 0.831) 3.223 7.456 ( 1.855 -0.893 0.622) 2.150 7.658 ( -4.213 -3.193 0.700) 5.332 7.833 ( -1.066 -4.635 -3.703) 6.028 7.987 ( 4.448 -2.592 -6.899) 8.609 8.083 ( -11.005 1.393 6.890) 13.059 8.465 ( 8.071 -0.835 2.257) 8.422 8.533 ( 7.576 -3.055 -3.697) 8.967 8.654 ( 0.714 -0.357 3.073) 3.175 8.876 ( 1.400 0.764 7.986) 8.143 9.095 ( -0.934 1.150 1.054) 1.818 9.348 ( 0.074 -1.265 -10.210) 10.289 9.765 ( 0.507 1.429 0.912) 1.769 9.983 ( -1.658 4.766 0.163) 5.049 10.232 ( 0.010 2.141 0.060) 2.142 10.365 ( -2.433 -0.625 0.152) 2.517 10.667 ( 0.290 -0.744 3.310) 3.405 10.682 ( 6.718 5.136 -2.183) 8.733 10.811 ( -7.098 -5.849 2.317) 9.484 10.868 ( 2.564 -0.468 -1.489) 3.001 10.988 ( 0.189 -3.950 -1.104) 4.105 11.049 ( -5.039 -5.756 0.029) 7.650 11.350 ( 1.876 -2.202 -0.123) 2.895 11.535 ( -0.723 -2.762 0.210) 2.863 11.786 ( -3.715 -0.973 0.166) 3.843 11.838 ( -1.985 1.051 -0.185) 2.254 12.431 ( -0.220 3.472 0.413) 3.503 12.499 ( -1.886 4.914 -0.655) 5.304 12.818 ( 3.520 -8.213 0.144) 8.937 13.007 ( 1.591 -3.543 0.103) 3.885 16.289 ( -0.961 -0.845 0.819) 1.520 16.314 ( -0.309 -2.748 -0.862) 2.897 18.137 ( 3.319 2.636 -0.417) 4.259 18.466 ( -0.182 4.029 3.343) 5.238 18.488 ( 1.660 6.132 -2.921) 6.992 18.742 ( -6.895 -7.154 0.077) 9.936 18.950 ( 4.496 -0.047 -0.514) 4.526 19.234 ( -0.759 -5.481 1.639) 5.771 19.405 ( 2.781 -2.784 1.602) 4.249 19.425 ( -0.289 -2.239 -2.552) 3.408 19.748 ( -4.689 -5.174 -0.481) 6.999 20.115 ( -4.826 -2.263 0.016) 5.330 20.824 ( 4.407 7.710 0.123) 8.881 21.516 ( -3.881 4.712 0.502) 6.125 21.916 ( 0.313 -2.912 -0.433) 2.960 21.945 ( 1.118 1.003 0.167) 1.512 22.093 ( -2.152 -0.053 3.454) 4.070 22.113 ( 1.889 -4.507 -4.132) 6.400 23.015 ( -2.332 3.553 3.386) 5.434 23.069 ( 1.459 1.188 -3.033) 3.570 23.317 ( 3.153 0.208 1.184) 3.374 23.425 ( 3.757 0.128 -1.102) 3.918 ======================= Grid point 114 (39/86) ======================= q-point: (-0.30 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.861 14.076 -6.826) 15.903 1.188 ( -7.672 12.556 1.267) 14.769 1.395 ( -6.532 14.537 -1.404) 15.999 1.671 ( -6.435 -6.556 11.479) 14.703 1.799 ( -5.343 7.181 -3.459) 9.596 1.916 ( -1.594 7.262 2.502) 7.845 2.140 ( -9.629 3.553 -6.859) 12.344 2.234 ( -11.090 4.700 -0.373) 12.050 2.414 ( -2.616 6.167 6.445) 9.296 2.540 ( -7.453 9.798 0.567) 12.323 2.591 ( -0.089 0.247 -5.229) 5.236 2.744 ( 1.490 5.536 0.286) 5.740 2.899 ( -5.914 3.772 0.132) 7.016 2.958 ( -5.523 3.993 1.049) 6.895 3.082 ( 7.345 -1.563 -6.692) 10.059 3.170 ( 0.366 0.371 1.050) 1.173 3.229 ( 4.734 0.437 -0.787) 4.819 3.262 ( -0.881 -0.123 3.384) 3.499 3.485 ( 5.078 -5.926 -4.290) 8.906 3.553 ( -0.904 -5.274 0.762) 5.405 3.586 ( -2.084 -4.701 1.164) 5.273 3.649 ( 1.808 0.716 1.616) 2.529 3.745 ( 7.138 0.541 -4.534) 8.473 3.806 ( 5.495 0.540 2.409) 6.024 3.899 ( -4.358 0.770 6.507) 7.869 4.102 ( 3.898 -6.823 -0.235) 7.862 4.216 ( 2.163 -1.117 -1.999) 3.150 4.335 ( 4.274 1.939 3.432) 5.814 4.498 ( 10.920 -0.226 1.036) 10.971 4.557 ( -1.834 -3.818 -4.525) 6.198 4.680 ( -0.781 -2.718 -6.355) 6.956 4.793 ( -2.130 4.923 5.023) 7.349 4.941 ( 0.559 -0.151 -0.170) 0.603 5.017 ( 3.653 2.118 -3.337) 5.382 5.074 ( -4.021 -1.111 0.832) 4.254 5.193 ( -3.172 1.737 5.339) 6.449 5.329 ( 10.451 -1.547 -0.875) 10.601 5.417 ( 0.387 2.282 -0.973) 2.510 5.504 ( 3.652 -0.303 -0.214) 3.671 5.680 ( 0.221 2.437 2.074) 3.208 5.846 ( -2.908 -2.590 0.716) 3.959 5.944 ( -1.783 3.101 -1.623) 3.928 6.002 ( -4.347 -3.932 0.220) 5.866 6.035 ( -1.157 -0.078 -0.020) 1.160 6.248 ( -6.157 -1.073 -0.959) 6.323 6.426 ( -8.835 -7.899 1.424) 11.936 6.618 ( -3.170 1.913 0.691) 3.767 6.635 ( -0.694 2.227 -3.868) 4.517 6.838 ( -4.342 -5.398 -2.834) 7.485 6.920 ( -8.084 -5.034 1.406) 9.626 7.391 ( -3.290 -1.279 2.979) 4.619 7.452 ( 0.163 1.091 -2.980) 3.178 7.758 ( 2.387 -5.554 3.225) 6.851 7.941 ( -0.604 -8.769 -6.851) 11.144 8.020 ( -8.710 -1.502 7.234) 11.421 8.047 ( 2.645 -2.634 -7.267) 8.169 8.522 ( 7.510 2.055 5.093) 9.304 8.645 ( 2.918 -3.595 2.117) 5.091 8.715 ( 4.327 -3.581 0.268) 5.623 8.891 ( 1.717 1.143 4.726) 5.157 9.038 ( -0.717 4.261 1.705) 4.645 9.359 ( -2.067 -2.064 -8.902) 9.369 9.722 ( -0.393 1.669 1.212) 2.099 9.886 ( -1.639 3.219 -0.686) 3.676 10.234 ( 3.424 -1.054 0.955) 3.708 10.356 ( -2.233 -0.707 -0.250) 2.356 10.608 ( 4.363 4.695 -3.033) 7.091 10.732 ( 2.279 -1.471 6.245) 6.809 10.846 ( -0.518 -0.819 -2.557) 2.735 10.884 ( -7.629 -3.565 1.423) 8.540 11.048 ( 0.532 -2.426 -0.962) 2.664 11.149 ( -4.361 -6.670 -0.319) 7.975 11.424 ( 1.934 -3.577 0.264) 4.075 11.596 ( 0.959 -3.239 -0.762) 3.463 11.777 ( -8.012 -3.135 0.478) 8.616 11.797 ( -5.681 -0.323 -0.215) 5.694 12.369 ( 0.346 2.691 1.197) 2.966 12.413 ( 0.043 3.177 -1.170) 3.385 13.003 ( 2.804 -8.019 0.599) 8.516 13.101 ( 2.279 -4.420 -0.605) 5.010 16.315 ( -0.518 -2.494 0.140) 2.551 16.377 ( -2.802 -5.219 0.030) 5.924 18.112 ( 7.334 4.227 -0.377) 8.473 18.330 ( -1.311 8.753 0.390) 8.860 18.353 ( -0.989 7.986 0.067) 8.048 18.827 ( -10.810 -7.981 0.681) 13.454 19.079 ( 8.417 -8.098 -1.102) 11.733 19.342 ( 2.325 -3.460 1.290) 4.363 19.467 ( -5.173 -7.318 -0.769) 8.995 19.536 ( 6.159 -5.144 0.733) 8.058 19.823 ( -6.963 -7.639 -2.110) 10.549 20.112 ( -8.389 -2.692 0.024) 8.810 20.677 ( 7.793 12.658 0.945) 14.894 21.348 ( -8.832 7.411 -0.281) 11.533 21.877 ( 0.477 4.245 -0.076) 4.272 21.976 ( -2.084 0.336 0.173) 2.118 22.112 ( 1.642 -4.650 2.745) 5.644 22.251 ( 1.603 -7.300 -3.669) 8.326 22.920 ( -2.676 4.837 6.078) 8.216 23.040 ( 3.099 2.749 -6.604) 7.796 23.324 ( 3.222 2.711 4.735) 6.337 23.467 ( 8.359 0.172 -3.721) 9.152 ======================= Grid point 115 (40/86) ======================= q-point: (-0.20 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -2.004 7.269 -6.137) 9.723 0.884 ( -10.917 9.844 2.034) 14.840 1.056 ( -3.802 14.948 -3.018) 15.716 1.566 ( -4.765 12.057 -2.201) 13.150 1.616 ( -19.246 11.434 1.285) 22.423 1.691 ( -10.077 14.126 1.971) 17.464 1.825 ( -3.390 7.190 5.339) 9.575 2.093 ( -13.956 4.938 7.323) 16.516 2.361 ( 1.782 -0.376 -2.492) 3.087 2.436 ( -0.749 -0.081 -1.956) 2.096 2.524 ( 0.181 3.192 -6.214) 6.988 2.643 ( -3.990 2.482 -2.699) 5.419 2.769 ( -1.532 3.549 -0.724) 3.932 2.834 ( -7.459 2.157 2.045) 8.030 3.141 ( 6.755 0.198 -5.124) 8.481 3.217 ( 5.554 -0.700 -0.497) 5.620 3.238 ( 1.352 2.037 4.248) 4.902 3.264 ( -4.697 -1.863 2.479) 5.629 3.546 ( 4.322 1.542 -1.802) 4.930 3.612 ( 0.065 -3.443 -0.537) 3.486 3.649 ( 2.131 0.556 0.672) 2.302 3.727 ( 0.382 -4.637 -1.572) 4.911 3.828 ( 7.085 -3.279 -5.043) 9.294 3.850 ( 8.118 1.862 1.483) 8.460 3.913 ( -5.224 -4.383 5.874) 9.000 4.185 ( 0.740 3.014 -3.035) 4.340 4.292 ( 3.078 -7.380 3.111) 8.580 4.415 ( 5.729 -6.153 2.288) 8.712 4.515 ( 2.320 0.894 0.725) 2.589 4.618 ( -5.595 -4.551 1.160) 7.305 4.665 ( 1.461 6.462 2.756) 7.176 4.757 ( -2.484 -3.948 -7.471) 8.808 4.958 ( 5.971 -1.532 -4.942) 7.901 4.986 ( 1.228 1.708 -1.206) 2.424 5.101 ( -3.141 -3.960 7.218) 8.811 5.192 ( -1.265 -1.678 0.100) 2.104 5.363 ( 1.863 2.877 -2.733) 4.384 5.446 ( 6.490 -0.025 0.891) 6.551 5.549 ( 7.505 0.113 -3.639) 8.341 5.644 ( 1.529 1.315 3.064) 3.668 5.778 ( -3.840 1.911 1.446) 4.527 5.943 ( 0.089 -0.086 -2.263) 2.266 6.034 ( -2.894 -1.624 -0.009) 3.319 6.079 ( 5.228 -2.502 0.718) 5.840 6.216 ( -9.055 -1.848 0.480) 9.254 6.442 ( -11.561 -2.378 1.340) 11.879 6.537 ( -7.695 2.877 4.501) 9.368 6.602 ( 1.755 0.856 -7.832) 8.071 6.835 ( -5.386 -0.591 -0.725) 5.466 7.006 ( -9.557 -8.969 -4.391) 13.822 7.360 ( -8.267 0.125 5.479) 9.918 7.428 ( 2.503 1.428 -6.895) 7.473 7.876 ( 2.423 -4.188 3.225) 5.815 8.029 ( -5.981 -4.652 0.261) 7.581 8.084 ( -0.011 -5.806 0.483) 5.826 8.157 ( 3.879 -8.412 -4.276) 10.203 8.546 ( 8.219 2.882 4.376) 9.747 8.710 ( -1.237 -1.972 1.435) 2.734 8.837 ( -5.531 -5.057 4.148) 8.566 8.847 ( 0.487 3.058 1.889) 3.627 8.967 ( 4.520 2.735 2.471) 5.832 9.318 ( -7.942 0.758 -2.076) 8.243 9.768 ( 3.291 -5.007 -2.367) 6.443 9.864 ( -1.288 -3.745 -0.416) 3.982 10.313 ( 5.594 -2.480 1.232) 6.242 10.370 ( -0.524 -2.293 0.414) 2.388 10.552 ( 4.702 4.311 -2.892) 7.004 10.787 ( 3.994 -0.251 5.466) 6.774 10.798 ( -3.564 3.473 -2.825) 5.722 10.912 ( -6.960 -4.722 2.203) 8.694 11.077 ( -0.882 -0.753 -2.190) 2.478 11.211 ( -1.342 -2.802 1.623) 3.505 11.502 ( 0.966 -3.103 -0.563) 3.298 11.647 ( 3.342 0.126 -1.260) 3.574 11.760 ( -8.380 -2.056 -0.003) 8.629 11.799 ( -15.056 -8.360 -0.277) 17.223 12.345 ( 0.409 0.534 1.598) 1.734 12.371 ( 1.201 1.609 -1.050) 2.266 13.156 ( 1.061 -5.802 1.247) 6.028 13.201 ( 3.193 -3.878 -1.982) 5.400 16.386 ( 1.396 -5.219 -1.983) 5.755 16.480 ( -8.081 -10.252 3.325) 13.471 18.084 ( 6.863 5.404 0.685) 8.763 18.149 ( 0.162 9.035 -0.096) 9.037 18.190 ( 1.667 7.920 0.227) 8.097 18.854 ( -16.409 -5.044 -2.729) 17.382 19.319 ( 9.195 -6.571 0.268) 11.305 19.415 ( -1.822 -6.553 0.071) 6.802 19.629 ( -1.381 -11.124 2.021) 11.390 19.683 ( 3.752 -5.560 -1.882) 6.967 19.914 ( -3.744 -6.746 -2.841) 8.222 20.080 ( -7.690 -0.583 0.408) 7.723 20.474 ( 6.401 14.485 3.706) 16.264 21.092 ( -14.374 9.264 -4.488) 17.680 21.800 ( 0.932 3.694 2.736) 4.691 21.937 ( -2.498 0.388 -0.420) 2.562 22.257 ( 2.480 -6.860 1.812) 7.517 22.377 ( 1.152 -5.098 -3.269) 6.165 22.827 ( -1.767 4.373 6.955) 8.403 22.986 ( 3.519 3.787 -7.431) 9.052 23.281 ( 3.704 6.137 6.712) 9.820 23.512 ( 11.433 2.925 -7.579) 14.025 ======================= Grid point 116 (41/86) ======================= q-point: (-0.10 0.00 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -12.623 6.025 11.839) 18.325 0.625 ( -3.538 14.998 13.514) 20.496 0.883 ( -0.958 -1.152 -18.160) 18.221 1.081 ( -18.022 23.655 19.558) 35.594 1.235 ( -19.082 13.204 -12.892) 26.545 1.376 ( 5.689 7.262 -12.696) 15.693 1.802 ( 5.368 0.994 6.881) 8.783 2.026 ( -7.347 -4.569 2.344) 8.964 2.235 ( -4.983 9.404 2.890) 11.027 2.328 ( -2.424 5.065 -6.718) 8.756 2.564 ( -1.982 -3.351 4.581) 6.011 2.653 ( -3.883 -4.001 -0.698) 5.619 2.754 ( 2.072 -3.177 1.025) 3.929 2.852 ( -0.137 -6.830 -3.229) 7.556 3.144 ( -0.838 2.402 2.829) 3.804 3.208 ( 2.285 1.383 -2.015) 3.346 3.257 ( 1.780 -2.494 -1.246) 3.307 3.301 ( -0.779 -3.138 -0.895) 3.355 3.512 ( 4.253 5.642 -1.028) 7.140 3.572 ( -3.745 4.124 1.469) 5.761 3.684 ( 4.459 2.590 -2.160) 5.591 3.752 ( -2.554 1.472 -1.526) 3.319 3.850 ( 5.963 1.524 -0.723) 6.196 3.887 ( 0.829 0.184 -0.122) 0.858 3.972 ( -2.042 -3.170 4.146) 5.604 4.149 ( -3.320 -1.051 -7.173) 7.974 4.454 ( 1.015 -5.675 6.073) 8.374 4.524 ( -0.159 0.973 2.229) 2.437 4.587 ( 1.584 -4.393 2.116) 5.127 4.631 ( 5.789 -6.144 -1.968) 8.668 4.702 ( -4.994 -6.176 -0.243) 7.946 4.741 ( 0.358 0.113 -8.518) 8.526 4.990 ( -4.807 -3.730 5.091) 7.934 5.075 ( 7.030 -2.803 -7.892) 10.934 5.127 ( -1.398 1.388 4.481) 4.895 5.208 ( 2.179 1.876 -1.716) 3.348 5.301 ( 4.151 4.893 -1.774) 6.657 5.371 ( -10.064 5.297 -4.871) 12.372 5.628 ( 10.741 -0.462 -1.387) 10.840 5.685 ( 5.374 -0.411 0.396) 5.404 5.769 ( 1.982 -1.183 2.181) 3.175 5.902 ( -4.082 2.544 -1.086) 4.930 6.063 ( -0.712 -3.595 1.928) 4.141 6.149 ( -2.392 -2.995 0.740) 3.904 6.211 ( 1.891 -2.196 0.760) 2.996 6.371 ( -12.132 0.632 1.440) 12.233 6.426 ( -5.079 3.422 3.907) 7.264 6.544 ( 1.922 4.584 -8.082) 9.488 6.805 ( -2.131 0.451 2.071) 3.006 7.034 ( -16.175 -5.111 -9.026) 19.215 7.304 ( -8.740 -0.188 5.641) 10.404 7.401 ( 3.305 1.698 -8.079) 8.893 7.999 ( 3.185 -5.463 3.117) 7.050 8.085 ( -4.551 -5.120 1.270) 6.967 8.200 ( 3.967 -4.438 3.834) 7.080 8.325 ( 1.816 -4.495 -4.912) 6.901 8.566 ( 8.348 2.199 3.506) 9.318 8.706 ( -7.129 -1.863 1.619) 7.544 8.775 ( -0.399 0.978 3.770) 3.915 8.826 ( 2.059 4.021 -2.469) 5.148 9.123 ( -2.767 -13.282 3.689) 14.060 9.230 ( -10.227 -0.285 1.602) 10.356 9.928 ( -7.138 -14.899 11.399) 20.072 10.050 ( 9.019 -11.997 -7.372) 16.722 10.410 ( 5.672 -2.403 -1.542) 6.350 10.436 ( 3.593 -2.497 2.830) 5.211 10.510 ( 2.329 1.807 -1.823) 3.466 10.646 ( -6.758 6.651 -2.616) 9.837 10.831 ( 5.543 0.777 5.238) 7.665 10.949 ( -4.496 -3.040 1.884) 5.745 11.061 ( -1.059 0.371 -3.241) 3.429 11.251 ( -6.276 -2.388 -0.265) 6.720 11.561 ( 5.369 -1.724 -0.533) 5.664 11.643 ( 2.488 1.577 -0.958) 3.097 11.718 ( -13.489 -1.977 -1.146) 13.681 11.830 ( -15.054 -6.096 0.072) 16.241 12.349 ( -0.466 -0.136 1.112) 1.214 12.355 ( 1.036 1.058 -0.526) 1.571 13.241 ( -0.267 -2.441 1.076) 2.681 13.273 ( 3.133 -0.899 -3.243) 4.597 16.555 ( 11.569 -8.688 -6.650) 15.924 16.698 ( -27.594 -27.107 10.662) 40.123 17.987 ( -2.926 4.804 1.178) 5.747 18.000 ( -1.526 5.691 0.276) 5.899 18.135 ( 20.170 8.127 -0.484) 21.751 18.649 ( -25.166 11.263 -12.198) 30.149 19.423 ( 7.249 -1.647 2.526) 7.852 19.594 ( -5.543 -9.728 -0.074) 11.197 19.778 ( 8.609 0.706 -2.669) 9.041 19.819 ( -0.851 -7.387 2.167) 7.745 19.992 ( 3.636 -1.241 0.046) 3.842 20.040 ( -1.691 -0.972 0.216) 1.963 20.294 ( -4.336 4.585 6.114) 8.786 20.721 ( -21.107 13.854 -14.382) 29.056 21.820 ( 1.721 -5.102 7.680) 9.379 21.946 ( -1.635 -3.366 -1.210) 3.933 22.392 ( 0.447 -4.673 1.231) 4.853 22.431 ( 2.585 0.771 -3.109) 4.116 22.780 ( -0.044 -0.081 7.144) 7.145 22.932 ( 2.021 2.130 -5.150) 5.928 23.176 ( 3.420 8.853 5.311) 10.876 23.438 ( 10.332 14.174 -14.754) 22.920 ======================= Grid point 118 (42/86) ======================= q-point: ( 0.10 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 14.725 0.000 14.800) 20.877 0.745 ( 0.074 0.000 23.581) 23.581 0.834 ( 11.113 0.000 -15.025) 18.688 0.925 ( 15.449 0.000 -11.974) 19.547 1.025 ( 36.455 0.000 12.572) 38.562 1.494 ( 18.797 0.000 -22.085) 29.001 1.851 ( 0.735 0.000 -6.550) 6.592 2.035 ( 6.916 0.000 7.665) 10.324 2.156 ( 5.976 0.000 8.482) 10.376 2.301 ( 9.323 0.000 -5.273) 10.711 2.656 ( 3.130 0.000 4.468) 5.455 2.673 ( 1.067 0.000 1.845) 2.132 2.829 ( -6.904 -0.000 5.939) 9.107 2.841 ( -5.786 -0.000 -0.535) 5.811 3.105 ( -3.278 -0.000 5.280) 6.215 3.170 ( 4.481 0.000 -4.727) 6.513 3.185 ( -1.196 -0.000 -5.167) 5.303 3.351 ( 0.426 0.000 -1.514) 1.572 3.443 ( 3.191 0.000 1.024) 3.351 3.507 ( 3.977 0.000 -3.692) 5.427 3.562 ( -1.567 -0.000 5.200) 5.431 3.735 ( -5.213 -0.000 1.672) 5.474 3.835 ( 4.103 0.000 -4.357) 5.985 3.890 ( -2.348 -0.000 3.040) 3.842 4.005 ( -3.233 -0.000 5.720) 6.570 4.235 ( 7.935 0.000 -10.060) 12.813 4.441 ( -1.607 -0.000 4.813) 5.074 4.508 ( -8.273 -0.000 3.182) 8.864 4.607 ( -4.478 -0.000 -4.965) 6.686 4.691 ( -1.675 -0.000 -2.868) 3.322 4.726 ( -4.520 -0.000 2.070) 4.972 4.744 ( 6.307 0.000 -0.606) 6.336 4.948 ( 0.035 0.000 3.350) 3.351 5.002 ( -3.806 -0.000 1.237) 4.001 5.011 ( -3.850 -0.000 4.388) 5.837 5.202 ( -1.019 -0.000 -1.041) 1.457 5.276 ( -1.849 -0.000 3.596) 4.043 5.411 ( 12.704 0.000 -10.867) 16.718 5.520 ( -12.942 -0.000 -1.314) 13.008 5.639 ( -5.828 -0.000 0.156) 5.830 5.802 ( -4.474 -0.000 4.014) 6.010 5.869 ( 0.965 0.000 -3.091) 3.238 6.113 ( -1.673 -0.000 0.579) 1.770 6.187 ( -7.129 -0.000 1.121) 7.217 6.324 ( 0.151 0.000 2.478) 2.482 6.370 ( 14.583 0.000 2.432) 14.784 6.462 ( 9.067 0.000 -6.132) 10.946 6.463 ( 8.248 0.000 -0.648) 8.273 6.936 ( 3.330 0.000 10.489) 11.005 7.131 ( 25.610 0.000 -12.918) 28.684 7.237 ( 4.878 0.000 0.761) 4.937 7.470 ( 6.044 0.000 -4.240) 7.383 7.933 ( -11.265 -0.000 4.815) 12.251 8.251 ( 3.214 0.000 1.491) 3.543 8.257 ( 4.022 0.000 -4.206) 5.820 8.398 ( -1.773 -0.000 -5.537) 5.814 8.555 ( -13.574 -0.000 7.060) 15.300 8.607 ( -7.392 -0.000 -4.295) 8.549 8.811 ( 13.774 0.000 -7.425) 15.648 9.009 ( 9.674 0.000 -8.648) 12.976 9.096 ( -2.355 -0.000 9.847) 10.124 9.164 ( -3.034 -0.000 12.268) 12.637 9.904 ( -15.299 -0.000 7.853) 17.197 10.228 ( -7.033 -0.000 4.475) 8.336 10.339 ( -12.322 -0.000 -1.359) 12.397 10.372 ( -5.506 -0.000 -1.076) 5.610 10.487 ( 4.060 0.000 0.316) 4.072 10.564 ( -1.000 -0.000 2.391) 2.592 10.757 ( 0.929 0.000 5.028) 5.113 11.009 ( 4.506 0.000 3.303) 5.587 11.042 ( 5.696 0.000 0.517) 5.720 11.308 ( 8.812 0.000 3.801) 9.597 11.534 ( -7.890 -0.000 -1.510) 8.033 11.595 ( -2.611 -0.000 0.048) 2.611 11.882 ( 23.350 0.000 2.168) 23.450 12.197 ( 16.302 0.000 -11.544) 19.976 12.329 ( -0.018 -0.000 0.146) 0.147 12.391 ( 8.597 0.000 -3.327) 9.219 13.235 ( -1.873 -0.000 -0.240) 1.888 13.245 ( -2.764 -0.000 0.542) 2.816 16.301 ( -7.909 -0.000 9.723) 12.533 17.106 ( -0.220 -0.000 16.857) 16.858 17.909 ( 2.651 0.000 -0.702) 2.743 17.928 ( 1.055 0.000 0.890) 1.381 18.188 ( 12.887 0.000 -2.061) 13.051 18.429 ( 12.044 0.000 -6.650) 13.758 19.425 ( -10.652 -0.000 -1.961) 10.831 19.517 ( -16.160 -0.000 -1.203) 16.205 19.905 ( -1.825 -0.000 0.342) 1.856 19.919 ( 5.950 0.000 -0.288) 5.957 20.014 ( -3.718 -0.000 1.263) 3.926 20.216 ( 31.043 0.000 -15.374) 34.641 20.399 ( 12.978 0.000 2.078) 13.143 20.492 ( 21.678 0.000 7.246) 22.857 21.988 ( -0.160 -0.000 0.072) 0.175 21.996 ( 0.866 0.000 -0.230) 0.896 22.410 ( -0.740 -0.000 -2.839) 2.934 22.417 ( 0.078 0.000 1.117) 1.119 22.774 ( -16.139 -0.000 5.343) 17.000 22.900 ( -2.907 -0.000 1.246) 3.163 22.964 ( -5.310 -0.000 4.422) 6.910 23.050 ( -6.002 -0.000 -0.682) 6.041 ======================= Grid point 119 (43/86) ======================= q-point: ( 0.20 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 15.477 1.743 9.876) 18.442 0.968 ( 14.867 -3.591 -10.820) 18.735 1.035 ( 12.776 -7.398 -8.056) 16.818 1.116 ( 10.657 -11.999 11.049) 19.484 1.470 ( 29.664 -12.034 7.450) 32.867 1.657 ( 18.046 -5.820 -7.817) 20.509 1.886 ( 10.693 0.011 -6.391) 12.458 2.139 ( 9.326 -2.841 1.006) 9.801 2.246 ( 5.903 -1.976 7.489) 9.739 2.403 ( 3.783 -4.094 -1.691) 5.825 2.618 ( -1.800 2.328 -1.827) 3.464 2.695 ( -1.598 0.498 1.666) 2.361 2.746 ( 7.724 -0.182 0.783) 7.766 2.856 ( 0.725 -2.668 -0.470) 2.805 2.986 ( -6.118 3.797 0.366) 7.210 3.194 ( 5.310 1.493 -2.262) 5.962 3.260 ( -6.077 -2.635 -0.584) 6.649 3.344 ( -3.189 0.038 0.945) 3.326 3.430 ( 3.502 -0.794 -3.457) 4.984 3.570 ( -2.101 -3.209 1.531) 4.130 3.638 ( -0.950 -1.179 0.434) 1.576 3.701 ( -7.022 -3.000 0.877) 7.687 3.825 ( 1.153 3.784 -0.043) 3.956 3.842 ( -2.596 3.933 -0.236) 4.718 4.038 ( 0.541 -4.762 2.672) 5.487 4.209 ( 1.346 4.264 -5.306) 6.939 4.370 ( -12.190 3.795 3.614) 13.268 4.407 ( -6.678 3.794 2.574) 8.101 4.485 ( -1.679 2.881 -0.319) 3.349 4.620 ( -3.604 6.135 -0.119) 7.116 4.708 ( 0.331 1.345 -1.357) 1.939 4.810 ( 2.808 -1.581 -2.044) 3.816 4.873 ( -0.570 4.976 1.008) 5.108 5.009 ( -0.884 -5.779 -0.169) 5.849 5.082 ( -3.423 -3.026 2.578) 5.246 5.206 ( -3.655 -1.870 0.628) 4.154 5.268 ( -8.804 0.207 4.793) 10.026 5.430 ( -3.888 -0.003 -1.804) 4.286 5.481 ( 3.860 -0.398 -8.540) 9.380 5.614 ( -7.329 -2.906 -0.561) 7.904 5.773 ( -0.873 -0.470 2.508) 2.697 5.888 ( -2.109 -2.633 -2.041) 3.943 6.075 ( -4.272 1.955 0.223) 4.703 6.128 ( 0.556 1.346 1.755) 2.281 6.327 ( 4.578 0.788 0.842) 4.721 6.459 ( 9.533 0.398 -0.661) 9.565 6.518 ( 10.225 -1.163 1.802) 10.447 6.681 ( 12.092 -6.635 -8.375) 16.136 6.964 ( 1.345 1.270 9.552) 9.730 7.173 ( 10.735 5.887 -4.764) 13.138 7.295 ( 13.349 3.418 -4.417) 14.470 7.503 ( 4.631 0.382 -2.836) 5.443 7.854 ( -9.231 0.332 4.005) 10.067 8.126 ( 3.999 8.337 2.926) 9.698 8.257 ( -3.951 9.423 2.833) 10.603 8.311 ( -3.738 4.373 -7.585) 9.520 8.455 ( -3.450 -5.500 -1.253) 6.612 8.633 ( -7.449 -4.720 1.738) 8.988 8.860 ( 7.415 3.187 -4.515) 9.248 8.981 ( -3.153 5.739 6.673) 9.349 9.100 ( 11.798 1.226 -4.308) 12.619 9.163 ( 0.882 1.820 11.634) 11.808 9.764 ( -0.840 3.607 2.333) 4.377 10.122 ( -8.019 8.037 -2.079) 11.542 10.276 ( -5.398 -0.007 2.150) 5.810 10.327 ( -9.417 -4.934 -3.690) 11.254 10.474 ( 0.605 2.454 1.752) 3.075 10.646 ( 0.073 -3.823 3.459) 5.157 10.809 ( 1.602 -3.754 1.343) 4.297 11.033 ( 6.082 2.705 3.183) 7.378 11.104 ( 6.338 -0.346 -1.176) 6.455 11.319 ( -3.005 0.456 -4.334) 5.293 11.502 ( -0.096 0.061 2.922) 2.924 11.582 ( -3.811 -1.098 -0.507) 3.999 11.993 ( 21.966 9.066 2.935) 23.944 12.146 ( 12.938 9.554 -4.028) 16.580 12.338 ( 0.652 0.635 0.553) 1.065 12.382 ( 4.583 4.563 -1.182) 6.574 13.204 ( -2.523 1.222 -0.666) 2.882 13.229 ( -3.873 1.174 -0.532) 4.082 16.284 ( -0.168 0.614 3.680) 3.735 16.898 ( -5.964 15.715 5.655) 17.735 17.927 ( -1.755 -2.953 0.084) 3.436 18.037 ( 6.207 -4.802 1.067) 7.919 18.119 ( 7.770 0.320 -1.681) 7.956 18.854 ( 9.773 -11.991 0.635) 15.482 19.318 ( -9.271 1.769 -0.862) 9.477 19.510 ( -14.390 -9.489 -0.197) 17.237 19.730 ( 1.024 12.581 -0.507) 12.633 19.884 ( -1.939 9.796 2.649) 10.331 19.927 ( 0.253 3.148 -3.380) 4.626 20.305 ( 23.723 8.041 -9.971) 26.961 20.470 ( 11.937 2.069 2.131) 12.301 20.861 ( 18.562 -12.717 5.896) 23.260 21.871 ( -0.640 4.593 -0.686) 4.687 21.965 ( 2.908 2.877 0.801) 4.169 22.329 ( -3.146 4.956 -0.227) 5.874 22.483 ( 1.005 0.095 -3.208) 3.363 22.722 ( -7.472 -3.114 7.240) 10.860 22.876 ( -2.024 -4.153 -3.618) 5.868 23.102 ( -10.728 -12.435 0.539) 16.432 23.154 ( -9.789 -12.144 0.849) 15.621 ======================= Grid point 120 (44/86) ======================= q-point: ( 0.30 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 19.144 -0.870 -4.923) 19.786 1.108 ( 13.554 -3.797 -4.195) 14.688 1.248 ( 11.406 -7.577 -4.243) 14.336 1.496 ( 5.692 -14.845 13.502) 20.858 1.802 ( 6.261 -7.201 -0.601) 9.561 1.905 ( 7.859 -0.272 2.725) 8.322 2.058 ( 21.224 -10.381 0.538) 23.633 2.212 ( 8.098 -0.838 0.171) 8.143 2.369 ( 1.571 -2.066 6.423) 6.928 2.545 ( 8.118 -9.905 -9.759) 16.102 2.580 ( 5.977 2.674 -4.703) 8.062 2.768 ( 4.165 -3.512 -1.663) 5.696 2.849 ( 6.228 -3.636 -2.242) 7.552 2.863 ( -6.814 -1.470 4.496) 8.295 3.002 ( 6.176 -3.664 -1.223) 7.284 3.133 ( -4.827 2.840 0.088) 5.601 3.226 ( -2.452 0.402 -0.076) 2.486 3.300 ( -4.124 1.706 1.497) 4.707 3.497 ( -2.188 -5.452 -1.480) 6.058 3.559 ( -3.810 4.856 0.216) 6.176 3.621 ( -2.305 -1.333 1.108) 2.884 3.679 ( -2.779 3.842 0.975) 4.841 3.733 ( -5.724 0.088 -0.416) 5.740 3.753 ( 0.913 3.804 -1.490) 4.186 4.062 ( -4.534 4.922 -0.369) 6.702 4.096 ( -3.400 3.757 1.722) 5.352 4.264 ( -4.466 -1.740 -0.250) 4.800 4.278 ( -4.958 5.233 -0.083) 7.209 4.460 ( -5.259 1.030 4.978) 7.314 4.539 ( -0.408 -2.454 0.373) 2.516 4.642 ( -0.515 5.076 -4.559) 6.842 4.766 ( -3.019 0.561 0.454) 3.104 4.896 ( 3.601 -2.679 -1.906) 4.876 5.052 ( -3.204 0.879 -0.510) 3.361 5.114 ( -2.514 -1.139 6.785) 7.325 5.173 ( -3.159 1.210 -0.978) 3.521 5.217 ( -7.015 -3.025 0.925) 7.695 5.419 ( -3.169 -1.030 0.547) 3.376 5.478 ( 2.016 0.371 -4.347) 4.806 5.613 ( -7.616 -3.242 0.608) 8.300 5.846 ( 3.368 -4.604 0.839) 5.765 5.903 ( -2.524 -0.508 -1.941) 3.225 6.026 ( -1.263 0.343 -0.945) 1.614 6.116 ( 2.424 1.239 1.458) 3.088 6.358 ( 6.815 1.098 -0.341) 6.912 6.546 ( 9.659 -0.654 -0.788) 9.713 6.592 ( 4.687 0.166 2.796) 5.460 6.815 ( 11.959 1.383 -9.370) 15.255 6.952 ( -1.733 2.355 6.790) 7.393 7.043 ( 12.360 13.873 -4.251) 19.061 7.341 ( 2.893 -1.284 0.396) 3.190 7.512 ( 1.544 0.786 -0.580) 1.827 7.784 ( -7.112 1.560 3.987) 8.301 8.022 ( 7.761 7.744 2.897) 11.340 8.131 ( -2.829 5.224 -3.561) 6.926 8.160 ( -1.668 2.101 -1.073) 2.889 8.508 ( -3.409 -2.522 -4.394) 6.107 8.667 ( -5.185 -3.165 3.006) 6.777 8.776 ( -4.485 5.165 4.616) 8.252 8.830 ( -0.138 9.901 -1.250) 9.980 9.151 ( -3.035 -0.324 13.623) 13.961 9.211 ( 12.844 -1.960 -9.138) 15.884 9.759 ( 3.924 -0.627 -1.929) 4.417 9.931 ( -3.364 5.254 -1.589) 6.437 10.236 ( -5.679 -0.785 -2.107) 6.108 10.336 ( -4.070 -1.951 1.614) 4.794 10.469 ( 1.158 -0.647 1.171) 1.770 10.683 ( -4.153 -1.652 3.570) 5.720 10.901 ( 4.974 -1.866 -1.757) 5.596 11.015 ( 4.420 3.899 2.442) 6.380 11.120 ( 5.025 3.148 -1.810) 6.200 11.280 ( 0.828 1.657 -2.325) 2.973 11.490 ( -0.897 2.075 -0.067) 2.261 11.577 ( -2.326 -0.897 0.853) 2.635 11.926 ( 13.534 10.641 0.367) 17.220 12.071 ( 16.307 11.568 -0.379) 19.997 12.318 ( -1.106 -0.190 0.962) 1.478 12.362 ( -1.368 -1.590 -0.477) 2.151 13.120 ( -3.935 6.101 -0.084) 7.261 13.144 ( -3.769 2.526 -0.668) 4.586 16.275 ( -0.500 0.772 1.785) 2.008 16.602 ( -4.141 10.541 -0.186) 11.327 17.980 ( -2.054 -4.034 -0.165) 4.530 18.192 ( 6.005 -6.043 0.944) 8.571 18.250 ( 4.630 -6.622 -0.966) 8.137 18.965 ( 3.154 2.361 2.028) 4.432 19.180 ( -8.814 5.706 -0.722) 10.524 19.474 ( 2.650 10.335 -0.516) 10.682 19.547 ( -8.151 2.174 -1.357) 8.545 19.718 ( 3.424 8.357 5.291) 10.467 19.858 ( -4.354 -0.040 -2.709) 5.128 20.269 ( 11.375 7.916 -5.283) 14.832 20.568 ( 12.080 -2.024 0.828) 12.276 21.205 ( 10.351 -9.760 4.102) 14.806 21.844 ( -0.125 -1.645 -2.561) 3.047 21.983 ( 4.138 -1.042 0.659) 4.318 22.186 ( -4.109 6.162 0.174) 7.409 22.399 ( -0.726 6.701 -2.040) 7.042 22.788 ( -2.700 -5.567 6.036) 8.644 22.966 ( -0.044 -5.998 -5.456) 8.108 23.212 ( -9.770 -6.978 3.212) 12.428 23.272 ( -9.808 -8.412 -1.486) 13.006 ======================= Grid point 121 (45/86) ======================= q-point: ( 0.40 0.10 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 15.460 -2.437 -5.661) 16.643 1.287 ( 5.841 -4.736 3.154) 8.154 1.507 ( 9.354 -11.526 0.208) 14.846 1.733 ( 4.916 -2.380 6.331) 8.362 1.939 ( -2.269 -9.189 -0.327) 9.471 2.024 ( 10.295 -4.245 -4.065) 11.855 2.238 ( 5.818 -0.881 0.793) 5.938 2.360 ( -1.549 1.873 0.238) 2.442 2.466 ( 12.848 -5.555 -1.873) 14.123 2.540 ( 3.988 -0.879 0.497) 4.113 2.720 ( -2.568 0.059 1.612) 3.032 2.781 ( -1.771 2.313 0.446) 2.947 2.894 ( 5.546 -0.676 -2.861) 6.277 2.988 ( 1.174 -6.366 -2.336) 6.882 3.045 ( 2.576 -3.927 0.145) 4.699 3.175 ( -3.835 0.224 1.891) 4.282 3.207 ( 3.962 -5.395 -1.446) 6.848 3.281 ( -1.563 -1.694 2.393) 3.322 3.401 ( 0.329 6.699 -2.365) 7.112 3.533 ( -2.997 3.207 -0.025) 4.390 3.581 ( -5.235 -2.887 -0.957) 6.054 3.649 ( -2.011 0.003 1.714) 2.642 3.696 ( 0.085 2.091 -0.326) 2.118 3.735 ( 0.106 -2.013 -1.802) 2.703 3.961 ( -3.805 0.865 -0.906) 4.006 3.983 ( -6.226 3.624 5.408) 9.008 4.160 ( -3.061 3.588 1.921) 5.093 4.266 ( -2.709 -0.651 -0.806) 2.901 4.370 ( -7.094 2.225 2.039) 7.709 4.546 ( -0.521 -0.668 -8.600) 8.642 4.663 ( 3.257 -4.049 -0.969) 5.286 4.739 ( -6.308 -0.955 3.560) 7.306 4.974 ( 2.534 -0.719 -3.339) 4.253 4.996 ( -3.767 -0.272 2.564) 4.565 5.100 ( -6.986 -0.898 3.630) 7.924 5.146 ( 1.531 0.458 1.253) 2.031 5.232 ( -0.549 -1.248 -1.195) 1.813 5.431 ( -1.565 -2.389 -0.063) 2.856 5.499 ( 1.116 -1.381 0.928) 2.004 5.631 ( -3.907 -3.283 0.265) 5.110 5.834 ( -2.209 3.844 -1.276) 4.614 5.964 ( 0.694 -4.352 -0.370) 4.423 6.055 ( 3.430 -1.906 -0.309) 3.936 6.132 ( 3.329 -0.289 1.277) 3.578 6.373 ( 7.803 3.832 -1.683) 8.855 6.559 ( 3.928 6.418 3.027) 8.111 6.627 ( 4.619 0.807 -1.804) 5.024 6.757 ( 8.148 9.146 -7.824) 14.535 6.834 ( -0.893 5.032 3.644) 6.276 6.987 ( 3.218 1.058 1.415) 3.671 7.348 ( -1.169 1.275 -1.036) 2.016 7.489 ( -2.726 1.882 2.768) 4.317 7.720 ( -3.042 0.617 0.301) 3.118 7.916 ( 2.793 8.641 -0.584) 9.100 8.017 ( 5.435 4.564 -0.565) 7.120 8.217 ( 4.129 -4.169 -2.322) 6.310 8.476 ( -3.051 1.632 -2.783) 4.440 8.585 ( -5.903 11.597 0.918) 13.045 8.649 ( -4.174 0.777 -0.091) 4.246 8.734 ( -7.739 -4.233 7.522) 11.593 9.162 ( 0.357 0.469 6.466) 6.493 9.330 ( 10.983 -1.571 -8.567) 14.018 9.778 ( 0.608 1.483 -0.407) 1.654 9.896 ( -0.141 -3.613 -0.176) 3.620 10.231 ( -1.285 -2.436 -3.512) 4.463 10.346 ( -0.475 -0.250 2.716) 2.768 10.504 ( -1.802 -2.919 1.368) 3.694 10.680 ( -6.495 -2.013 1.841) 7.045 10.896 ( 6.158 6.203 -2.010) 8.969 10.999 ( 3.548 2.439 1.567) 4.582 11.088 ( 3.824 2.448 0.539) 4.572 11.222 ( 5.642 7.556 -1.963) 9.632 11.413 ( -1.328 4.224 -1.093) 4.560 11.562 ( -1.436 1.431 0.912) 2.223 11.864 ( 6.157 3.651 0.290) 7.164 11.956 ( 10.097 10.262 -0.089) 14.396 12.358 ( -0.667 -3.966 0.252) 4.029 12.414 ( 0.621 -4.280 0.056) 4.326 12.946 ( -4.584 7.942 -0.129) 9.171 13.056 ( -3.496 3.335 -0.313) 4.842 16.258 ( -1.480 0.408 0.852) 1.756 16.425 ( -3.291 5.262 -0.604) 6.236 18.046 ( -0.618 -4.034 -0.305) 4.093 18.334 ( 1.577 -4.618 1.401) 5.077 18.414 ( 4.136 -6.983 -1.201) 8.204 18.916 ( -0.866 3.293 1.555) 3.743 18.974 ( -2.263 9.299 -1.079) 9.631 19.333 ( -0.722 4.385 0.158) 4.447 19.452 ( -1.768 2.614 -0.458) 3.189 19.578 ( 3.842 9.807 -0.566) 10.548 19.833 ( -0.836 1.885 2.347) 3.124 20.175 ( -0.370 5.264 -2.441) 5.814 20.731 ( 11.477 -4.680 -0.037) 12.395 21.420 ( 3.560 -6.409 2.093) 7.624 21.889 ( -0.129 -2.995 -1.947) 3.575 22.007 ( 0.878 4.050 0.166) 4.147 22.076 ( -1.075 0.835 1.279) 1.868 22.251 ( -1.074 6.568 -2.139) 6.990 22.894 ( -0.363 -5.161 4.405) 6.795 23.058 ( 0.575 -4.330 -4.412) 6.208 23.244 ( -6.557 -3.201 1.895) 7.539 23.328 ( -7.117 -5.152 -0.572) 8.805 ======================= Grid point 122 (46/86) ======================= q-point: ( 0.50 0.10 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 7.980 -2.991 1.391) 8.635 1.426 ( 2.171 -6.696 0.072) 7.039 1.688 ( 4.402 1.825 -1.927) 5.140 1.884 ( 7.122 -8.478 3.912) 11.743 1.999 ( -2.562 0.936 -1.996) 3.380 2.102 ( 7.520 5.051 -7.116) 11.520 2.258 ( 4.184 2.902 2.311) 5.592 2.352 ( -5.562 -3.754 4.744) 8.218 2.476 ( -4.206 -1.696 -0.924) 4.628 2.673 ( -3.055 1.016 0.720) 3.299 2.676 ( -2.048 -2.203 -1.706) 3.458 2.777 ( 8.280 -4.971 1.026) 9.711 2.899 ( 1.786 1.608 -1.775) 2.988 3.052 ( -2.026 -1.744 -2.112) 3.407 3.094 ( -0.285 1.557 2.946) 3.345 3.184 ( -4.276 -4.247 2.380) 6.480 3.214 ( 2.585 7.573 -0.572) 8.022 3.368 ( -0.387 -2.332 1.802) 2.973 3.427 ( 8.062 -5.244 -5.054) 10.864 3.457 ( -3.715 3.596 0.063) 5.171 3.512 ( -3.378 1.552 -0.234) 3.725 3.592 ( 0.282 3.666 1.041) 3.821 3.728 ( 0.783 -0.550 0.586) 1.122 3.768 ( -1.133 -2.919 -0.880) 3.253 3.901 ( -4.787 -2.724 0.873) 5.576 3.997 ( -0.952 -3.798 -0.127) 3.917 4.075 ( -1.385 3.967 2.502) 4.890 4.260 ( -3.914 -2.246 0.825) 4.587 4.365 ( -0.900 -4.364 -1.823) 4.814 4.561 ( -0.716 -2.096 -4.792) 5.279 4.685 ( -0.494 1.756 -0.119) 1.828 4.733 ( -6.121 -2.411 1.565) 6.762 4.933 ( -1.371 2.064 -1.280) 2.789 5.040 ( 3.730 -1.750 3.410) 5.348 5.086 ( -3.639 -0.400 1.074) 3.815 5.167 ( 5.009 -0.164 -0.514) 5.038 5.278 ( -0.519 -4.761 -1.000) 4.893 5.471 ( 0.152 -2.008 -0.172) 2.021 5.536 ( 1.096 -0.373 3.959) 4.125 5.655 ( -3.985 -1.547 0.185) 4.279 5.747 ( 1.284 3.895 -1.771) 4.467 6.020 ( -2.263 -2.569 -2.526) 4.254 6.088 ( -0.197 0.906 2.020) 2.223 6.191 ( 4.064 -2.344 0.485) 4.716 6.302 ( 4.352 8.925 -0.839) 9.965 6.425 ( 3.029 8.792 -1.530) 9.425 6.572 ( 0.907 4.243 -0.047) 4.339 6.689 ( 0.751 2.053 -0.768) 2.317 6.793 ( -2.673 -0.730 0.880) 2.907 6.988 ( 1.326 1.607 0.171) 2.091 7.303 ( -0.259 1.325 -1.184) 1.796 7.428 ( -3.705 1.003 3.287) 5.054 7.698 ( -3.339 0.423 -1.217) 3.579 7.791 ( 0.631 5.166 -0.131) 5.206 7.983 ( 6.256 3.467 -3.464) 7.947 8.288 ( -4.885 9.113 2.605) 10.662 8.356 ( 3.321 -3.824 -0.280) 5.072 8.471 ( 2.804 -0.912 -4.796) 5.630 8.625 ( -3.413 -1.123 2.005) 4.114 8.791 ( -5.698 -4.771 8.627) 11.387 9.163 ( 3.912 2.119 1.648) 4.745 9.382 ( 6.208 1.588 -7.738) 10.047 9.763 ( 1.381 -0.125 -0.182) 1.398 9.989 ( -1.655 -4.860 1.005) 5.232 10.272 ( 0.147 -2.139 -2.511) 3.302 10.343 ( -0.645 0.714 1.945) 2.169 10.561 ( -2.872 -4.643 1.871) 5.771 10.665 ( -6.607 -1.587 -0.881) 6.852 10.828 ( 4.797 3.730 0.766) 6.125 10.946 ( 0.312 4.440 1.619) 4.736 11.069 ( 9.742 9.824 -5.105) 14.747 11.098 ( 4.616 4.424 2.657) 6.924 11.333 ( -1.286 1.986 -1.031) 2.582 11.513 ( -2.828 1.684 1.112) 3.474 11.862 ( 4.058 4.646 0.602) 6.198 11.867 ( 2.913 1.454 -0.592) 3.310 12.435 ( 0.249 -3.682 -0.090) 3.692 12.527 ( 2.145 -5.849 0.359) 6.240 12.761 ( -3.497 7.530 -0.094) 8.302 12.972 ( -3.271 2.123 -0.269) 3.909 16.244 ( -2.143 -0.425 0.539) 2.250 16.331 ( -2.419 2.267 -0.505) 3.353 18.119 ( 1.112 -3.215 -0.222) 3.409 18.409 ( -2.327 -3.754 2.187) 4.928 18.544 ( 2.512 -3.164 -2.972) 5.016 18.782 ( -2.658 5.535 -0.194) 6.143 18.908 ( 3.420 0.927 2.718) 4.466 19.287 ( 1.896 2.081 -1.030) 2.998 19.391 ( -1.209 3.206 -3.640) 4.999 19.447 ( 4.227 5.130 2.021) 6.947 19.768 ( 0.271 4.896 1.854) 5.243 20.067 ( -9.132 1.263 -0.601) 9.238 20.904 ( 11.919 -3.024 -0.193) 12.298 21.529 ( -1.275 -3.849 1.136) 4.211 21.909 ( -1.044 3.645 -0.571) 3.834 21.936 ( -0.798 -2.139 -1.831) 2.927 22.050 ( 0.321 3.259 2.651) 4.213 22.164 ( 0.095 1.615 -1.920) 2.511 22.989 ( 0.863 -3.668 1.856) 4.201 23.105 ( -1.014 -1.004 -0.816) 1.644 23.264 ( -1.544 -2.582 -0.494) 3.049 23.365 ( -3.915 -3.533 0.132) 5.275 ======================= Grid point 123 (47/86) ======================= q-point: (-0.40 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 2.585 -3.801 6.671) 8.101 1.528 ( 2.982 2.365 -1.802) 4.211 1.579 ( 1.827 7.188 -7.685) 10.680 1.825 ( -4.509 8.546 1.655) 9.803 2.025 ( 0.059 5.719 4.752) 7.436 2.073 ( -1.247 0.069 -3.578) 3.790 2.161 ( 2.811 4.374 -0.065) 5.199 2.399 ( -4.781 -3.338 3.380) 6.740 2.502 ( -2.300 -3.211 -4.291) 5.832 2.624 ( -7.263 -0.281 0.959) 7.332 2.773 ( 3.654 -2.297 -0.401) 4.334 2.815 ( 3.158 2.305 0.052) 3.910 2.973 ( -0.342 -4.132 -1.349) 4.360 3.005 ( 0.856 10.000 -0.853) 10.073 3.060 ( -0.998 -1.705 1.094) 2.258 3.114 ( 0.546 -3.152 -2.615) 4.132 3.202 ( -3.644 1.292 4.884) 6.229 3.304 ( -3.791 0.289 2.742) 4.688 3.412 ( -1.110 3.963 3.483) 5.391 3.474 ( 0.665 0.418 -3.735) 3.817 3.525 ( 1.265 -1.108 -2.402) 2.933 3.586 ( 0.367 -1.679 -1.503) 2.283 3.743 ( 2.690 -2.363 -1.687) 3.958 3.804 ( -2.373 -1.259 3.952) 4.778 3.963 ( -0.082 -2.193 0.596) 2.274 3.998 ( -0.729 2.967 0.844) 3.170 4.080 ( 2.394 -4.312 -5.063) 7.069 4.298 ( -1.036 -3.760 0.838) 3.989 4.457 ( 1.744 -3.704 0.874) 4.186 4.582 ( -0.600 -1.422 0.328) 1.578 4.618 ( -3.741 1.995 0.533) 4.273 4.776 ( -0.748 -3.888 -1.638) 4.284 4.907 ( 2.603 0.784 -0.459) 2.757 5.024 ( -5.328 0.567 1.812) 5.656 5.112 ( 11.296 2.139 -1.872) 11.648 5.256 ( 4.452 -3.470 2.572) 6.203 5.375 ( -4.788 -5.712 -0.781) 7.494 5.477 ( 0.304 3.133 -0.490) 3.185 5.534 ( 5.335 2.992 2.486) 6.603 5.623 ( -6.824 -0.837 0.896) 6.933 5.714 ( 3.180 0.204 -1.517) 3.529 6.025 ( -3.366 -0.871 -2.629) 4.359 6.056 ( -4.484 0.519 0.218) 4.519 6.113 ( -1.029 9.746 2.380) 10.086 6.243 ( -0.919 -0.194 -0.729) 1.189 6.294 ( -2.433 4.694 -1.118) 5.403 6.550 ( 2.637 -1.369 -1.590) 3.370 6.663 ( -0.838 1.130 2.060) 2.495 6.787 ( -5.306 -1.416 1.102) 5.601 6.927 ( -1.376 4.537 -1.725) 5.045 7.309 ( 0.413 -1.605 0.884) 1.879 7.456 ( 3.541 -3.555 1.203) 5.160 7.608 ( -5.676 3.190 -1.194) 6.620 7.754 ( -3.408 -1.523 0.272) 3.743 7.981 ( 5.398 0.057 -9.507) 10.932 8.086 ( -8.119 5.437 7.044) 12.045 8.493 ( 7.333 -3.313 1.612) 8.206 8.539 ( 8.298 -2.408 -5.688) 10.344 8.642 ( -1.204 -1.658 4.960) 5.367 8.853 ( -3.972 -3.618 8.181) 9.787 9.154 ( 5.331 2.726 -0.948) 6.062 9.349 ( 1.980 2.510 -7.757) 8.390 9.796 ( 3.653 -0.323 -0.536) 3.706 10.017 ( -3.993 0.236 1.838) 4.402 10.274 ( -0.336 1.595 -1.366) 2.126 10.322 ( -3.408 -0.013 1.478) 3.714 10.632 ( -1.961 -2.896 0.834) 3.595 10.658 ( -3.370 -4.194 0.157) 5.382 10.850 ( 4.439 0.761 -2.038) 4.944 10.856 ( -3.442 1.427 1.515) 4.022 10.961 ( 8.447 5.799 -1.516) 10.358 11.057 ( 3.067 4.196 1.203) 5.335 11.328 ( 1.260 -1.362 -0.468) 1.913 11.477 ( -4.024 -0.951 0.774) 4.207 11.806 ( 1.535 3.291 -0.220) 3.638 11.857 ( -0.084 1.508 -0.011) 1.510 12.474 ( 0.318 0.491 0.090) 0.592 12.573 ( -2.937 4.226 -0.499) 5.171 12.707 ( 3.493 -5.479 0.919) 6.562 12.946 ( -2.071 -2.179 -0.541) 3.055 16.244 ( -3.021 -1.339 1.523) 3.638 16.293 ( -1.041 0.098 -1.531) 1.854 18.178 ( 3.423 -1.111 -0.110) 3.601 18.470 ( -4.281 -4.754 3.063) 7.093 18.550 ( 1.926 2.179 -4.644) 5.480 18.692 ( -0.771 4.118 0.748) 4.256 18.963 ( 2.281 -2.898 3.869) 5.345 19.203 ( 0.735 4.753 -4.590) 6.648 19.399 ( 4.531 -1.681 3.163) 5.776 19.429 ( 3.805 0.939 -1.921) 4.365 19.683 ( -3.559 2.117 0.507) 4.172 19.988 ( -13.101 -2.364 0.053) 13.312 21.007 ( 12.977 3.051 -0.081) 13.331 21.542 ( -4.791 0.868 0.542) 4.899 21.864 ( -0.534 -0.727 0.460) 1.012 21.970 ( -1.099 -2.077 -2.028) 3.104 22.018 ( 1.668 0.091 0.439) 1.727 22.134 ( -0.725 1.620 0.130) 1.780 23.044 ( 0.475 -0.414 0.213) 0.665 23.086 ( -1.236 0.968 0.637) 1.695 23.315 ( 1.365 -2.374 0.294) 2.754 23.408 ( -0.304 -2.932 -0.727) 3.036 ======================= Grid point 124 (48/86) ======================= q-point: (-0.30 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 4.482 17.425 -1.608) 18.064 1.364 ( -4.000 6.289 6.005) 9.571 1.504 ( -4.003 3.864 2.020) 5.919 1.644 ( -2.598 6.147 -1.645) 6.873 1.886 ( -2.041 5.582 -0.558) 5.970 2.031 ( 1.724 1.075 -8.510) 8.750 2.099 ( -1.045 4.675 3.144) 5.730 2.308 ( -10.084 8.955 -1.638) 13.586 2.498 ( -3.090 1.969 2.507) 4.439 2.581 ( -4.246 -0.042 -2.000) 4.694 2.659 ( -1.140 8.101 6.661) 10.550 2.854 ( 1.766 -1.558 -2.280) 3.278 2.915 ( -0.969 5.124 -0.255) 5.221 2.978 ( -5.083 2.633 -1.865) 6.021 3.090 ( 4.032 -1.590 -1.964) 4.758 3.157 ( -2.686 -1.509 1.800) 3.568 3.206 ( 0.056 -2.780 2.818) 3.959 3.290 ( 0.768 0.821 -1.997) 2.291 3.414 ( 5.848 -3.609 -2.558) 7.332 3.491 ( 4.433 -2.000 -2.102) 5.298 3.525 ( -1.234 -0.397 -0.321) 1.335 3.623 ( -3.617 -2.638 2.231) 5.002 3.799 ( 0.754 -2.092 2.132) 3.081 3.828 ( 4.639 0.659 0.713) 4.739 3.921 ( -4.447 2.961 3.855) 6.588 4.008 ( 1.167 -4.113 1.086) 4.411 4.176 ( 4.586 -3.574 -7.404) 9.414 4.366 ( -3.955 -3.854 1.261) 5.665 4.498 ( 0.828 2.016 2.339) 3.196 4.585 ( 2.901 -2.483 -2.212) 4.413 4.633 ( 3.032 -0.423 0.490) 3.100 4.807 ( -1.069 0.154 -0.380) 1.144 4.938 ( 3.808 -1.250 -0.893) 4.106 5.001 ( -3.573 -1.373 2.020) 4.328 5.137 ( 6.247 3.575 -2.685) 7.683 5.262 ( -5.925 6.014 2.833) 8.905 5.387 ( 5.440 -0.681 -0.441) 5.500 5.429 ( 2.029 0.365 -1.409) 2.497 5.531 ( 2.707 1.155 1.239) 3.194 5.646 ( -7.628 -5.826 0.765) 9.629 5.757 ( -0.049 -0.246 1.523) 1.543 5.945 ( 1.446 1.260 1.034) 2.179 5.993 ( -2.413 3.939 -2.748) 5.375 6.043 ( -0.066 -0.162 -0.760) 0.780 6.203 ( -6.369 0.571 -0.588) 6.421 6.237 ( -6.575 -3.862 -0.495) 7.642 6.623 ( -3.329 2.221 4.204) 5.804 6.634 ( 1.585 -4.132 -1.620) 4.712 6.764 ( -1.331 0.886 -2.099) 2.639 6.818 ( -6.810 1.663 -0.103) 7.010 7.345 ( -1.580 -1.436 3.368) 3.988 7.492 ( 1.437 2.608 -4.956) 5.781 7.638 ( 1.454 -8.364 2.309) 8.798 7.788 ( -3.136 -5.416 -1.218) 6.376 7.970 ( -6.712 1.334 6.125) 9.184 8.020 ( 4.387 -0.868 -9.423) 10.431 8.594 ( 5.152 -1.732 3.335) 6.377 8.636 ( 5.900 -1.428 -2.211) 6.461 8.693 ( 1.953 -2.371 6.405) 7.103 8.896 ( -2.537 -1.546 5.780) 6.499 9.134 ( 4.597 3.502 -1.312) 5.926 9.309 ( 0.376 0.379 -9.528) 9.543 9.790 ( 1.832 3.617 2.230) 4.627 9.944 ( -3.066 3.929 -0.669) 5.029 10.239 ( 1.346 0.545 -0.743) 1.631 10.306 ( -4.825 -1.594 1.440) 5.282 10.670 ( -0.125 -2.102 1.269) 2.458 10.730 ( -3.560 -4.524 0.508) 5.779 10.770 ( 4.817 4.959 -2.333) 7.296 10.875 ( -4.513 -0.328 0.584) 4.563 11.000 ( 3.756 -3.213 0.044) 4.943 11.038 ( 2.681 -0.971 0.150) 2.855 11.381 ( 1.846 -2.408 -0.019) 3.034 11.496 ( -3.894 -4.159 -0.030) 5.698 11.752 ( -0.244 2.920 0.103) 2.932 11.811 ( -1.552 2.333 -0.196) 2.809 12.430 ( -0.488 3.349 1.220) 3.597 12.473 ( -0.650 3.722 -1.536) 4.078 12.873 ( 2.709 -7.856 1.669) 8.476 13.011 ( -0.503 -5.296 -1.328) 5.483 16.252 ( -4.010 -1.953 3.372) 5.592 16.303 ( 0.258 -1.918 -3.359) 3.877 18.221 ( 7.128 0.789 -0.052) 7.172 18.478 ( -2.748 3.171 -1.783) 4.559 18.492 ( 1.871 6.449 1.965) 6.996 18.620 ( -7.024 -1.720 0.009) 7.231 19.041 ( 6.765 -2.400 -0.612) 7.204 19.211 ( -4.144 -7.497 1.840) 8.761 19.409 ( 3.347 1.795 -1.641) 4.137 19.524 ( 7.996 -2.835 0.767) 8.519 19.656 ( -5.702 -3.934 -0.683) 6.961 19.947 ( -13.735 -4.275 0.037) 14.385 20.993 ( 14.174 9.368 0.137) 16.991 21.414 ( -9.155 6.397 0.013) 11.168 21.925 ( 0.790 -3.328 0.623) 3.477 21.958 ( 0.339 1.597 0.296) 1.659 22.067 ( -2.762 -1.316 3.264) 4.474 22.128 ( 2.415 -4.402 -4.978) 7.070 22.994 ( -2.593 3.759 4.874) 6.679 23.081 ( 2.355 0.721 -5.112) 5.675 23.363 ( 0.888 -1.001 4.141) 4.352 23.473 ( 3.272 -3.002 -3.264) 5.511 ======================= Grid point 125 (49/86) ======================= q-point: (-0.20 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 4.029 15.964 -1.028) 16.497 1.074 ( -6.447 16.974 -1.435) 18.213 1.340 ( 1.679 12.414 0.486) 12.537 1.570 ( -10.976 1.733 -0.249) 11.115 1.765 ( -0.097 7.120 4.622) 8.489 1.903 ( -1.163 10.511 0.705) 10.599 1.989 ( -1.998 10.532 0.885) 10.756 2.129 ( -3.431 1.172 -3.858) 5.294 2.370 ( -3.868 5.300 5.877) 8.809 2.463 ( -2.530 5.918 -1.729) 6.664 2.587 ( 2.547 3.402 -2.023) 4.707 2.737 ( -2.666 8.165 -4.807) 9.843 2.826 ( -4.035 2.459 3.340) 5.786 2.877 ( 0.076 6.248 -2.660) 6.791 3.151 ( -1.980 -2.272 2.145) 3.699 3.186 ( 3.916 -2.715 -4.233) 6.374 3.253 ( 0.469 -0.531 1.642) 1.789 3.281 ( 0.910 1.030 0.019) 1.375 3.522 ( -2.516 -2.825 2.480) 4.524 3.550 ( 5.432 -3.715 -5.140) 8.351 3.605 ( 2.637 -4.676 -0.623) 5.404 3.664 ( -0.320 -3.876 -0.893) 3.990 3.828 ( 0.919 -1.267 0.573) 1.667 3.848 ( -0.387 1.168 0.631) 1.383 3.917 ( 5.812 -2.727 5.960) 8.760 4.125 ( -4.896 -6.019 0.874) 7.808 4.260 ( 8.632 -2.297 -3.832) 9.720 4.392 ( -5.713 -3.112 4.401) 7.854 4.451 ( -3.192 0.466 1.890) 3.738 4.611 ( 0.174 2.100 -3.614) 4.183 4.699 ( 7.932 -0.531 -3.246) 8.587 4.757 ( -2.541 1.813 1.808) 3.608 4.979 ( 2.553 2.632 0.269) 3.676 5.024 ( -1.225 -3.310 2.214) 4.166 5.091 ( -8.171 1.877 2.641) 8.790 5.102 ( 5.439 2.000 -6.844) 8.968 5.423 ( 1.636 1.129 1.204) 2.324 5.483 ( 3.990 -0.461 -1.198) 4.191 5.573 ( 6.271 -2.760 -0.250) 6.857 5.656 ( -5.673 -1.245 3.067) 6.568 5.736 ( -3.895 -0.807 2.360) 4.625 5.896 ( -1.951 1.480 -5.982) 6.464 6.040 ( 2.865 -2.757 2.002) 4.452 6.074 ( 7.767 -2.038 -1.715) 8.211 6.148 ( -5.896 0.001 1.425) 6.066 6.267 ( -10.211 -4.691 -1.053) 11.286 6.548 ( -5.384 2.867 5.623) 8.296 6.650 ( 3.901 2.518 -6.828) 8.257 6.772 ( -10.023 -4.368 4.583) 11.855 6.794 ( 0.898 -3.004 -3.474) 4.679 7.343 ( -2.802 0.726 4.317) 5.198 7.458 ( 2.104 1.143 -6.414) 6.846 7.800 ( 0.204 -5.923 4.296) 7.320 7.905 ( -2.282 -5.761 -2.018) 6.517 7.951 ( -2.239 -5.730 3.518) 7.087 8.059 ( 3.520 -2.335 -7.786) 8.858 8.655 ( 4.407 0.100 3.810) 5.827 8.675 ( 1.057 -0.416 0.917) 1.459 8.775 ( -0.203 -2.169 7.045) 7.374 8.890 ( -0.919 0.901 2.767) 3.052 9.087 ( 3.597 4.462 -0.546) 5.757 9.275 ( -3.544 0.921 -6.730) 7.662 9.752 ( 3.591 1.009 -0.092) 3.732 9.838 ( -3.441 2.983 -1.341) 4.747 10.283 ( 2.074 -2.744 0.916) 3.559 10.319 ( -2.186 -2.556 0.444) 3.393 10.679 ( 5.804 3.699 -0.958) 6.948 10.762 ( 1.070 -2.222 1.819) 3.064 10.773 ( -6.044 -2.619 0.670) 6.621 10.831 ( -3.087 0.139 -1.699) 3.527 11.070 ( 2.497 -1.718 0.404) 3.058 11.124 ( -0.012 -4.531 0.244) 4.537 11.448 ( 2.366 -3.226 -0.168) 4.004 11.558 ( -6.008 -5.667 -0.939) 8.312 11.699 ( 0.356 2.348 0.968) 2.564 11.753 ( -1.583 2.082 -0.695) 2.706 12.373 ( -0.686 2.091 1.932) 2.928 12.413 ( 0.762 2.327 -1.811) 3.046 13.040 ( 0.893 -7.271 2.321) 7.684 13.117 ( 0.739 -5.829 -2.333) 6.322 16.273 ( -5.347 -3.166 5.365) 8.209 16.354 ( 2.109 -3.672 -5.078) 6.612 18.247 ( 6.750 4.990 0.647) 8.419 18.328 ( -0.842 9.278 -1.646) 9.460 18.363 ( 5.200 6.367 2.860) 8.704 18.613 ( -13.772 -4.692 -2.025) 14.689 19.210 ( 8.054 -8.226 -0.234) 11.515 19.353 ( -7.822 -9.034 -0.987) 11.990 19.429 ( 6.500 -2.277 2.867) 7.460 19.605 ( -1.611 -4.084 -2.169) 4.897 19.765 ( 4.494 -6.758 0.067) 8.116 19.930 ( -12.031 -4.708 -0.197) 12.921 20.883 ( 14.482 14.439 1.675) 20.519 21.167 ( -12.975 9.728 -1.651) 16.301 21.894 ( 1.247 4.082 1.225) 4.440 21.947 ( -1.397 1.975 -0.500) 2.471 22.135 ( -0.872 -6.965 4.501) 8.338 22.260 ( 2.467 -6.958 -6.291) 9.699 22.907 ( -2.787 4.287 7.020) 8.685 23.057 ( 2.944 2.570 -7.489) 8.448 23.381 ( 0.291 1.155 7.233) 7.330 23.548 ( 4.018 -2.384 -6.052) 7.646 ======================= Grid point 126 (50/86) ======================= q-point: (-0.10 0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -1.223 16.548 0.611) 16.604 0.793 ( 4.274 2.535 -9.323) 10.565 1.095 ( 8.618 17.504 5.182) 20.187 1.310 ( -11.490 11.336 -11.512) 19.825 1.522 ( -3.421 22.905 8.894) 24.809 1.632 ( 1.864 14.359 1.639) 14.572 1.911 ( 3.948 4.709 7.094) 9.386 1.938 ( -4.750 2.760 5.124) 7.513 2.340 ( -6.730 4.098 1.714) 8.064 2.433 ( 6.451 1.403 -6.927) 9.569 2.528 ( 2.302 2.620 -2.094) 4.068 2.596 ( 1.950 0.137 -6.753) 7.030 2.734 ( -4.609 1.190 2.331) 5.301 2.808 ( 5.932 3.506 -3.504) 7.731 3.150 ( -8.812 -0.702 4.539) 9.937 3.218 ( -1.575 4.210 4.015) 6.027 3.237 ( 3.659 -1.705 -1.648) 4.360 3.305 ( 2.745 -1.431 -1.632) 3.500 3.563 ( -2.100 -1.171 0.905) 2.569 3.622 ( 2.741 0.083 -1.362) 3.062 3.692 ( 2.032 -4.777 -1.555) 5.420 3.705 ( -2.491 0.116 -1.577) 2.950 3.829 ( -6.312 -3.744 3.127) 7.977 3.937 ( 9.459 -2.537 -5.238) 11.106 3.996 ( 4.405 1.957 4.306) 6.463 4.085 ( -7.061 1.434 -3.767) 8.131 4.387 ( 3.736 -3.616 6.273) 8.148 4.431 ( -9.766 -6.705 4.233) 12.580 4.512 ( 4.404 -6.252 -1.468) 7.787 4.592 ( 2.562 0.255 -2.414) 3.529 4.613 ( -5.539 2.726 2.314) 6.592 4.793 ( 7.159 0.793 -8.615) 11.229 4.883 ( -10.819 0.984 8.145) 13.578 5.056 ( 1.180 -1.329 -5.540) 5.819 5.116 ( 2.190 -2.034 1.991) 3.591 5.198 ( 7.110 -6.131 -5.066) 10.668 5.397 ( -4.640 3.295 1.813) 5.973 5.416 ( -0.037 4.071 0.894) 4.168 5.659 ( -3.407 -1.785 0.473) 3.875 5.698 ( 5.186 -0.092 -2.171) 5.622 5.749 ( 0.420 -3.177 4.447) 5.482 5.867 ( 0.773 -0.557 -5.977) 6.052 6.073 ( -4.230 1.511 2.107) 4.961 6.112 ( 4.854 -0.516 -1.403) 5.079 6.204 ( 2.562 -1.759 2.095) 3.748 6.254 ( -1.819 -3.966 -1.931) 4.771 6.466 ( -4.177 2.866 5.978) 7.836 6.622 ( 3.824 2.416 -7.544) 8.796 6.800 ( -5.140 -4.396 2.440) 7.190 6.848 ( 1.049 -1.271 -2.022) 2.608 7.300 ( -2.632 2.248 4.957) 6.046 7.442 ( 3.633 1.336 -7.282) 8.247 7.908 ( -0.394 -5.848 3.720) 6.943 7.955 ( -4.524 -4.168 2.376) 6.594 8.099 ( 1.451 -6.212 0.249) 6.384 8.189 ( 3.169 -9.873 -5.353) 11.670 8.665 ( -4.333 1.485 0.800) 4.650 8.679 ( 5.431 1.869 0.329) 5.753 8.756 ( -4.698 0.894 9.454) 10.595 8.918 ( 5.608 -0.102 -2.734) 6.240 9.031 ( -1.080 1.973 8.165) 8.469 9.182 ( -6.622 2.821 -1.099) 7.281 9.755 ( -4.129 -1.184 3.526) 5.557 9.897 ( 7.172 -9.023 -8.456) 14.295 10.346 ( -2.604 -2.812 2.458) 4.553 10.373 ( 1.698 -3.765 -0.168) 4.133 10.647 ( 6.050 4.653 0.897) 7.685 10.681 ( -8.989 3.978 -2.424) 10.124 10.839 ( -0.360 -3.712 2.761) 4.640 10.872 ( 2.265 -3.566 -0.485) 4.252 11.108 ( 4.304 0.825 1.892) 4.773 11.165 ( -3.891 -1.239 -2.641) 4.863 11.557 ( 3.092 -4.790 1.398) 5.870 11.594 ( -2.445 -3.994 -1.690) 4.978 11.678 ( -1.024 0.789 1.367) 1.882 11.717 ( 1.245 0.467 -2.200) 2.570 12.348 ( -1.000 0.456 1.864) 2.163 12.382 ( 0.687 1.291 -1.156) 1.864 13.166 ( -0.605 -5.165 2.074) 5.599 13.224 ( 0.942 -4.800 -2.911) 5.692 16.310 ( -9.218 -4.858 8.450) 13.415 16.478 ( 7.709 -7.689 -6.153) 12.506 18.109 ( -1.296 8.395 1.678) 8.658 18.143 ( 1.460 9.071 -1.006) 9.242 18.373 ( 1.122 3.335 6.398) 7.302 18.556 ( -2.623 0.045 -9.281) 9.644 19.405 ( -1.143 -7.238 0.951) 7.389 19.424 ( 1.905 -3.826 -0.456) 4.298 19.614 ( 0.049 -10.461 3.309) 10.972 19.706 ( 0.974 -8.685 -4.627) 9.889 19.922 ( -1.155 -5.347 1.531) 5.681 19.955 ( 0.759 -4.967 -1.284) 5.187 20.659 ( 5.327 18.944 7.826) 21.178 20.848 ( -6.473 13.255 -8.764) 17.158 21.841 ( 2.142 2.648 3.520) 4.898 21.901 ( -1.213 0.498 -1.778) 2.209 22.277 ( -1.652 -7.048 3.692) 8.126 22.386 ( 2.808 -5.332 -6.062) 8.548 22.825 ( -2.845 3.494 8.048) 9.223 22.998 ( 2.219 3.855 -7.730) 8.919 23.344 ( -0.891 4.843 9.266) 10.493 23.567 ( 0.188 1.663 -10.808) 10.937 ======================= Grid point 129 (51/86) ======================= q-point: ( 0.20 0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 9.854 0.000 15.082) 18.016 0.972 ( 15.299 0.000 5.690) 16.322 1.040 ( 19.221 0.000 -6.310) 20.230 1.174 ( 21.454 0.000 -9.354) 23.404 1.657 ( 34.886 0.000 7.550) 35.694 1.748 ( 20.012 0.000 -9.794) 22.280 1.963 ( 14.500 0.000 -10.927) 18.157 2.197 ( 13.204 0.000 -0.226) 13.206 2.300 ( 6.822 0.000 5.758) 8.927 2.405 ( 4.242 0.000 0.634) 4.289 2.589 ( -12.176 -0.000 4.839) 13.103 2.660 ( -9.745 -0.000 2.055) 9.960 2.767 ( 1.672 0.000 -0.830) 1.866 2.852 ( 7.625 0.000 0.119) 7.626 3.041 ( -3.332 -0.000 -2.434) 4.126 3.127 ( -4.050 -0.000 0.015) 4.050 3.276 ( 7.683 0.000 -2.744) 8.158 3.329 ( -2.276 -0.000 -3.117) 3.860 3.473 ( -1.473 -0.000 4.812) 5.032 3.520 ( -1.087 -0.000 -3.481) 3.647 3.593 ( 3.258 0.000 1.672) 3.662 3.651 ( -5.234 -0.000 0.440) 5.252 3.866 ( 1.024 0.000 -3.784) 3.920 3.877 ( -0.435 -0.000 4.293) 4.315 3.979 ( -0.294 -0.000 2.124) 2.144 4.210 ( -3.365 -0.000 -4.492) 5.612 4.306 ( -16.183 -0.000 4.309) 16.747 4.405 ( -5.811 -0.000 3.264) 6.665 4.615 ( -5.607 -0.000 -3.363) 6.538 4.623 ( -4.977 -0.000 0.550) 5.008 4.663 ( 5.888 0.000 -5.821) 8.280 4.851 ( 3.514 0.000 0.363) 3.532 4.874 ( -5.386 -0.000 2.203) 5.820 4.898 ( -8.143 -0.000 -1.864) 8.353 5.018 ( -0.380 -0.000 0.977) 1.048 5.171 ( -2.962 -0.000 2.234) 3.711 5.258 ( -3.646 -0.000 8.786) 9.512 5.349 ( -7.057 -0.000 -4.634) 8.443 5.508 ( -10.746 -0.000 1.190) 10.811 5.523 ( 7.426 0.000 -8.690) 11.431 5.758 ( -2.991 -0.000 4.101) 5.076 5.825 ( -3.488 -0.000 -2.816) 4.483 6.090 ( -5.263 -0.000 1.668) 5.521 6.097 ( -0.662 -0.000 -0.094) 0.669 6.361 ( 4.225 0.000 0.848) 4.309 6.569 ( 11.947 0.000 -1.751) 12.075 6.639 ( 9.824 0.000 -1.695) 9.969 6.646 ( 13.117 0.000 -3.257) 13.515 7.011 ( 2.271 0.000 7.792) 8.116 7.192 ( -1.220 -0.000 3.377) 3.591 7.518 ( 19.047 0.000 -12.415) 22.736 7.539 ( 3.511 0.000 -2.181) 4.133 7.783 ( -9.262 -0.000 4.630) 10.354 8.263 ( -10.892 -0.000 3.165) 11.342 8.283 ( 0.227 0.000 -7.373) 7.377 8.319 ( 3.784 0.000 -1.373) 4.025 8.418 ( -7.682 -0.000 6.803) 10.261 8.459 ( -8.198 -0.000 -1.472) 8.329 8.947 ( 7.116 0.000 -2.655) 7.595 9.048 ( 0.685 0.000 1.260) 1.434 9.203 ( 10.307 0.000 -3.089) 10.760 9.241 ( 3.716 0.000 4.384) 5.747 9.810 ( -1.914 -0.000 2.707) 3.315 10.122 ( -11.296 -0.000 1.355) 11.377 10.156 ( -8.259 -0.000 -4.118) 9.229 10.222 ( -7.792 -0.000 3.999) 8.759 10.552 ( 3.418 0.000 1.395) 3.692 10.589 ( 1.463 0.000 1.905) 2.402 10.819 ( 4.708 0.000 3.006) 5.586 11.128 ( 7.821 0.000 3.897) 8.739 11.143 ( 6.024 0.000 1.340) 6.171 11.260 ( -5.507 -0.000 -8.635) 10.242 11.505 ( -0.206 -0.000 2.827) 2.834 11.538 ( -4.152 -0.000 -0.678) 4.207 12.199 ( 5.158 0.000 2.859) 5.897 12.248 ( -0.501 -0.000 -2.182) 2.238 12.445 ( 17.222 0.000 6.509) 18.410 12.575 ( 14.212 0.000 -8.758) 16.694 13.189 ( -4.418 -0.000 0.985) 4.527 13.195 ( -2.851 -0.000 -1.264) 3.118 16.293 ( -1.099 -0.000 1.610) 1.950 16.936 ( -22.553 -0.000 8.189) 23.994 17.988 ( 7.459 0.000 -0.991) 7.524 18.020 ( 7.459 0.000 1.776) 7.667 18.418 ( 12.314 0.000 4.114) 12.982 18.547 ( 6.978 0.000 -4.843) 8.494 19.266 ( -9.046 -0.000 -1.078) 9.110 19.275 ( -13.677 -0.000 0.558) 13.688 19.856 ( -3.768 -0.000 0.302) 3.780 19.971 ( 1.651 0.000 -1.670) 2.348 19.991 ( -0.189 -0.000 3.299) 3.304 20.569 ( 20.155 0.000 -22.473) 30.187 20.660 ( 20.323 0.000 3.505) 20.623 20.898 ( 20.074 0.000 13.472) 24.175 21.982 ( -0.745 -0.000 0.102) 0.752 22.022 ( 2.844 0.000 -0.582) 2.903 22.380 ( -0.897 -0.000 -4.459) 4.548 22.403 ( -4.131 -0.000 6.063) 7.337 22.579 ( -9.917 -0.000 4.067) 10.719 22.847 ( -4.500 -0.000 2.050) 4.945 22.909 ( -4.273 -0.000 2.434) 4.917 22.914 ( -8.375 -0.000 -4.445) 9.481 ======================= Grid point 130 (52/86) ======================= q-point: ( 0.30 0.20 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 17.343 -0.419 5.754) 18.278 1.171 ( 15.931 -1.772 -8.470) 18.129 1.255 ( 13.520 -6.779 4.310) 15.727 1.359 ( 17.146 -4.505 -1.758) 17.815 1.807 ( 11.459 1.503 -0.408) 11.564 2.007 ( 18.334 -3.349 4.683) 19.216 2.080 ( 19.336 -2.739 -5.380) 20.256 2.293 ( 0.948 3.510 5.164) 6.315 2.362 ( 2.164 -0.760 2.729) 3.565 2.444 ( 13.550 -6.176 -7.256) 16.565 2.558 ( -0.888 -4.751 -1.175) 4.974 2.680 ( -5.794 -7.871 1.201) 9.847 2.778 ( -2.298 0.032 0.805) 2.435 2.912 ( 4.509 3.978 -2.257) 6.423 2.983 ( 8.150 -3.119 -0.648) 8.751 3.145 ( -6.637 -0.725 1.988) 6.966 3.248 ( -0.240 3.377 -3.548) 4.904 3.298 ( -0.845 1.927 2.513) 3.278 3.467 ( 2.037 1.165 -3.883) 4.537 3.529 ( -5.492 -3.945 3.737) 7.726 3.591 ( -4.694 2.337 1.139) 5.366 3.641 ( 1.224 -1.369 -1.759) 2.543 3.793 ( -3.168 5.168 -0.896) 6.128 3.857 ( 2.919 3.658 1.358) 4.873 4.057 ( 0.198 -3.390 0.790) 3.486 4.131 ( -12.850 3.151 2.650) 13.493 4.168 ( -6.780 0.957 -2.454) 7.274 4.345 ( -2.967 2.932 0.661) 4.224 4.471 ( -2.918 5.611 1.623) 6.529 4.540 ( -4.433 1.298 0.736) 4.678 4.692 ( -1.973 1.515 -7.332) 7.743 4.752 ( -5.421 1.809 0.806) 5.772 4.878 ( -2.416 -0.406 0.968) 2.635 5.009 ( -4.997 -0.784 0.884) 5.134 5.026 ( 3.184 -9.503 -2.128) 10.246 5.154 ( -4.917 -0.222 2.611) 5.571 5.184 ( -3.255 4.701 6.860) 8.931 5.341 ( -6.136 -3.127 -1.123) 6.978 5.445 ( -10.831 -3.276 -0.772) 11.342 5.537 ( 3.241 1.632 -4.163) 5.523 5.782 ( -0.219 -3.585 1.964) 4.093 5.838 ( -1.698 -3.311 -2.222) 4.334 6.031 ( -0.916 1.272 -1.129) 1.931 6.121 ( -1.639 -1.326 2.344) 3.152 6.408 ( 6.203 -0.267 -0.307) 6.216 6.632 ( 9.886 1.176 -3.276) 10.481 6.660 ( 7.066 1.551 2.889) 7.789 6.827 ( 8.404 -5.364 -4.722) 11.032 7.020 ( 3.162 3.062 3.866) 5.858 7.205 ( -0.863 -0.680 2.004) 2.285 7.499 ( 8.973 9.326 -6.767) 14.604 7.543 ( 1.933 1.175 -1.460) 2.692 7.757 ( -4.504 -0.265 4.661) 6.487 8.135 ( -9.730 2.712 -0.755) 10.130 8.204 ( -3.066 4.747 2.685) 6.256 8.231 ( 2.471 7.360 -1.036) 7.832 8.398 ( -2.888 -4.678 -4.346) 7.008 8.536 ( -5.277 -5.794 2.977) 8.383 8.925 ( 2.771 8.104 -1.420) 8.682 9.002 ( 2.684 4.983 0.111) 5.661 9.198 ( -3.316 4.748 11.938) 13.268 9.278 ( 12.965 -0.311 -7.328) 14.896 9.789 ( 2.096 1.068 0.148) 2.357 9.969 ( -8.993 3.886 -1.698) 9.943 10.149 ( -6.012 -2.653 -4.711) 8.086 10.234 ( -4.086 -4.172 5.515) 8.032 10.524 ( 3.664 2.849 0.637) 4.685 10.647 ( -1.457 -1.356 2.521) 3.212 10.882 ( 6.621 -2.160 0.748) 7.004 11.145 ( 4.732 3.773 0.395) 6.065 11.201 ( 5.696 1.069 -2.277) 6.227 11.249 ( 0.306 -3.527 -0.297) 3.552 11.487 ( -3.630 0.891 -1.247) 3.940 11.533 ( -1.882 -1.964 1.479) 3.096 12.216 ( 0.174 0.246 -0.830) 0.883 12.245 ( 4.034 0.447 0.489) 4.088 12.421 ( 11.290 13.095 2.213) 17.431 12.543 ( 14.069 12.762 -1.201) 19.033 13.131 ( -5.624 0.971 -0.568) 5.735 13.172 ( -3.309 1.838 -0.246) 3.793 16.275 ( -3.235 0.265 1.167) 3.449 16.698 ( -18.020 6.649 2.236) 19.338 17.990 ( 7.443 2.995 -0.084) 8.023 18.152 ( 6.610 -4.533 0.551) 8.033 18.275 ( 12.079 4.907 -0.262) 13.040 18.930 ( 0.798 -10.772 0.963) 10.845 19.172 ( -8.532 1.595 -0.569) 8.698 19.266 ( -14.804 -11.220 0.102) 18.576 19.700 ( -3.821 11.070 0.133) 11.712 19.914 ( 0.575 6.508 -3.336) 7.336 19.932 ( 2.808 6.820 6.894) 10.096 20.559 ( 14.407 9.556 -14.975) 22.872 20.756 ( 21.019 5.522 2.489) 21.875 21.151 ( 12.749 -6.632 9.356) 17.148 21.863 ( 0.744 5.227 -2.186) 5.714 22.012 ( 2.365 1.331 0.633) 2.787 22.277 ( -2.847 6.240 -0.933) 6.921 22.459 ( -3.174 -0.702 -0.508) 3.290 22.646 ( -4.338 -7.999 4.049) 9.960 22.830 ( -2.201 -4.568 -1.069) 5.182 22.943 ( -8.992 -10.823 -1.257) 14.127 23.014 ( -8.093 -9.442 1.283) 12.502 ======================= Grid point 131 (53/86) ======================= q-point: ( 0.40 0.20 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 21.586 2.427 -5.095) 22.312 1.287 ( 10.528 -2.729 -1.014) 10.923 1.442 ( 13.714 -3.604 -3.229) 14.542 1.621 ( 2.572 -11.270 10.600) 15.684 1.866 ( 2.432 -0.038 0.820) 2.567 2.021 ( 4.759 0.767 1.528) 5.057 2.256 ( 1.486 -1.700 -0.172) 2.264 2.375 ( 4.711 -0.839 1.436) 4.996 2.443 ( 15.338 -8.320 -3.558) 17.808 2.616 ( 2.522 3.750 -4.800) 6.593 2.661 ( 1.423 -5.333 1.114) 5.631 2.778 ( -6.739 -4.988 5.457) 10.004 2.820 ( 7.758 -6.186 -6.842) 12.052 2.926 ( 7.751 -2.142 -1.676) 8.215 3.049 ( -4.873 2.982 1.728) 5.969 3.161 ( 10.910 -4.247 -0.468) 11.717 3.173 ( -5.012 1.733 0.982) 5.394 3.261 ( -0.480 1.022 0.982) 1.497 3.454 ( -4.436 0.151 -0.968) 4.543 3.486 ( -2.699 2.418 -0.586) 3.671 3.564 ( -6.700 -2.516 3.783) 8.096 3.643 ( -1.251 1.963 -1.017) 2.540 3.689 ( 1.116 2.927 -2.926) 4.287 3.800 ( 5.598 4.018 0.095) 6.891 3.964 ( -7.206 1.633 2.378) 7.761 4.018 ( -6.799 5.366 1.707) 8.828 4.168 ( -1.706 -0.860 -1.588) 2.484 4.251 ( -3.738 1.836 -0.546) 4.200 4.365 ( -8.882 3.231 4.572) 10.499 4.554 ( 0.983 -2.335 -1.321) 2.857 4.588 ( -1.292 2.897 -7.845) 8.462 4.716 ( -3.752 -0.230 1.994) 4.255 4.896 ( -4.268 -4.527 -0.270) 6.227 4.977 ( -3.523 0.524 -1.080) 3.722 5.084 ( -3.862 2.670 5.707) 7.390 5.138 ( -2.988 -0.881 1.358) 3.398 5.195 ( 3.020 -4.209 -0.297) 5.189 5.340 ( -5.705 -4.120 1.071) 7.118 5.486 ( -2.379 -5.476 -2.823) 6.604 5.523 ( -0.858 -0.180 0.915) 1.268 5.859 ( -1.184 0.053 0.098) 1.189 5.867 ( -2.393 -4.653 -0.998) 5.327 6.045 ( 4.262 -1.695 -1.838) 4.941 6.139 ( 0.202 -1.014 2.076) 2.319 6.458 ( 6.412 0.412 -0.957) 6.496 6.650 ( 1.410 1.255 2.207) 2.904 6.704 ( 9.740 2.167 -1.245) 10.056 6.920 ( 1.593 -0.029 -1.399) 2.121 6.951 ( 2.397 6.566 0.451) 7.004 7.128 ( 0.618 9.566 -2.093) 9.812 7.391 ( 3.242 4.249 -2.440) 5.875 7.529 ( 0.586 2.160 2.315) 3.220 7.701 ( -4.673 1.395 2.410) 5.440 7.989 ( -10.110 4.072 -3.485) 11.443 8.163 ( 4.426 -1.433 -0.015) 4.653 8.191 ( 6.269 2.643 2.972) 7.424 8.441 ( -2.127 -2.480 -3.526) 4.807 8.592 ( -5.305 -4.137 2.722) 7.257 8.730 ( -2.456 9.845 1.201) 10.218 8.815 ( -2.115 13.925 -2.263) 14.266 9.176 ( -0.291 -0.805 11.218) 11.250 9.382 ( 12.533 -1.184 -8.155) 14.999 9.805 ( 1.571 -0.782 -0.103) 1.758 9.853 ( -4.912 1.879 -0.341) 5.270 10.164 ( 0.031 -2.667 -4.793) 5.485 10.292 ( -3.940 -3.758 4.574) 7.111 10.506 ( 2.598 1.867 -0.255) 3.210 10.630 ( -3.830 0.539 1.915) 4.316 10.988 ( 6.747 -1.920 -1.732) 7.225 11.098 ( 4.906 4.413 0.741) 6.640 11.184 ( 3.963 3.982 0.133) 5.620 11.320 ( 4.181 0.037 0.948) 4.287 11.432 ( -4.203 0.461 -2.365) 4.845 11.559 ( -1.729 -1.311 1.120) 2.441 12.144 ( 12.465 14.519 -0.252) 19.137 12.271 ( 4.648 0.774 0.663) 4.759 12.335 ( -0.888 -1.020 -0.316) 1.388 12.339 ( 6.566 13.032 0.322) 14.596 13.039 ( -5.868 4.849 0.702) 7.645 13.081 ( -3.683 3.267 -1.284) 5.088 16.244 ( -3.819 0.050 0.759) 3.894 16.471 ( -10.800 4.819 -0.001) 11.827 18.015 ( 5.444 -0.284 -0.085) 5.452 18.269 ( 2.110 -3.579 0.238) 4.161 18.375 ( 11.716 -3.294 -0.063) 12.170 18.964 ( -2.737 2.179 0.666) 3.562 19.059 ( -5.636 3.604 -0.458) 6.705 19.387 ( -10.920 -6.773 -1.017) 12.890 19.459 ( -3.340 7.829 0.678) 8.539 19.757 ( -2.801 7.400 -8.374) 11.521 19.854 ( 5.158 5.753 13.807) 15.822 20.403 ( 9.281 13.191 -8.852) 18.398 20.837 ( 18.626 2.418 1.400) 18.834 21.348 ( 4.926 -4.838 4.333) 8.151 21.840 ( 1.080 -1.496 -2.275) 2.929 22.042 ( 2.294 -1.865 -0.530) 3.004 22.125 ( -2.772 6.571 -0.028) 7.132 22.361 ( -3.186 6.229 -0.402) 7.008 22.783 ( -0.598 -7.207 3.710) 8.128 22.942 ( -0.253 -6.905 -3.524) 7.757 23.073 ( -7.968 -8.934 0.128) 11.972 23.124 ( -8.719 -8.746 1.133) 12.402 ======================= Grid point 132 (54/86) ======================= q-point: ( 0.50 0.20 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 17.287 2.780 -6.574) 18.702 1.368 ( 2.304 -0.859 4.039) 4.729 1.663 ( 9.924 -7.851 -3.265) 13.068 1.819 ( 1.529 -6.673 7.720) 10.318 1.903 ( -1.779 -3.911 0.674) 4.349 2.114 ( 1.947 -5.019 -0.655) 5.423 2.325 ( 2.808 -3.421 -2.067) 4.885 2.365 ( 3.971 4.185 0.871) 5.835 2.485 ( 0.398 7.331 -3.525) 8.144 2.644 ( -2.697 -0.806 -1.283) 3.093 2.710 ( -0.941 3.051 0.165) 3.197 2.745 ( 1.665 -3.365 5.460) 6.626 2.950 ( 7.081 -1.755 -6.522) 9.786 2.986 ( -3.364 0.025 0.770) 3.451 3.068 ( -0.368 -4.845 -0.077) 4.860 3.113 ( -2.856 1.006 2.872) 4.174 3.281 ( -1.129 -1.978 2.963) 3.737 3.328 ( 9.098 -4.003 0.279) 9.943 3.410 ( 2.092 -0.936 -3.530) 4.208 3.476 ( -5.774 0.096 -2.004) 6.112 3.507 ( -0.394 2.561 1.511) 3.000 3.627 ( -1.782 1.354 0.372) 2.269 3.650 ( -2.469 -3.411 -0.666) 4.263 3.823 ( 8.100 0.750 -1.850) 8.343 3.850 ( -8.394 5.090 0.250) 9.820 3.946 ( -0.933 -1.131 2.908) 3.256 4.107 ( -3.581 1.429 1.312) 4.073 4.199 ( -7.738 3.108 2.517) 8.710 4.296 ( -1.325 -3.828 -0.580) 4.092 4.527 ( 3.544 0.110 -8.176) 8.911 4.623 ( -7.486 -3.239 0.968) 8.214 4.699 ( -2.282 0.201 0.999) 2.499 4.896 ( -6.728 -1.729 2.599) 7.417 4.986 ( 0.470 -2.378 -2.344) 3.372 5.074 ( 1.221 -1.953 3.263) 3.994 5.154 ( -2.795 -2.948 0.363) 4.078 5.265 ( 4.615 -0.786 -0.533) 4.712 5.411 ( -0.594 -4.203 -0.252) 4.252 5.536 ( 1.689 -1.055 3.042) 3.636 5.571 ( -2.203 -4.412 -0.706) 4.982 5.815 ( -0.187 2.680 -0.797) 2.803 5.920 ( -4.725 -3.937 -1.614) 6.359 6.105 ( 1.754 -0.360 1.699) 2.468 6.180 ( 2.597 -1.836 -0.688) 3.254 6.470 ( 5.504 3.900 -0.916) 6.807 6.619 ( 2.379 4.251 0.376) 4.886 6.677 ( 1.902 6.992 2.147) 7.558 6.805 ( -2.586 6.283 1.693) 7.002 6.836 ( 4.807 9.812 -6.842) 12.892 6.998 ( -3.001 0.703 1.903) 3.622 7.349 ( 2.593 2.428 -1.682) 3.931 7.455 ( -2.576 4.224 4.382) 6.609 7.670 ( -3.263 0.280 -1.570) 3.632 7.845 ( -6.587 2.881 -3.305) 7.913 8.173 ( 7.713 7.678 1.666) 11.010 8.283 ( 6.215 -5.894 -0.253) 8.569 8.446 ( 1.110 -0.908 -2.923) 3.255 8.495 ( -5.571 14.227 0.525) 15.288 8.586 ( -3.654 0.304 1.098) 3.827 8.661 ( -4.988 -4.754 3.778) 7.858 9.225 ( 3.863 -0.182 5.481) 6.708 9.453 ( 7.612 1.226 -6.895) 10.344 9.785 ( 1.199 1.298 -0.074) 1.768 9.877 ( -2.375 -4.687 0.844) 5.322 10.220 ( 2.221 -2.812 -4.100) 5.445 10.333 ( -3.401 -2.369 3.491) 5.419 10.493 ( 0.003 0.108 -0.395) 0.409 10.595 ( -4.724 -0.329 1.021) 4.844 10.981 ( 4.651 6.074 -1.142) 7.735 11.070 ( 4.876 5.618 0.974) 7.502 11.162 ( 4.969 0.514 2.276) 5.489 11.297 ( 4.077 4.416 -3.211) 6.814 11.384 ( -1.128 3.624 0.383) 3.814 11.536 ( -2.663 2.304 0.433) 3.547 11.977 ( 7.378 9.210 0.110) 11.801 12.085 ( 5.507 13.657 0.008) 14.726 12.351 ( 0.051 -4.821 0.257) 4.829 12.429 ( 0.900 -5.790 -0.015) 5.860 12.877 ( -3.980 7.228 0.805) 8.290 12.988 ( -4.342 2.976 -1.242) 5.408 16.220 ( -3.012 -0.253 0.283) 3.036 16.339 ( -6.506 2.105 -0.053) 6.839 18.080 ( 4.313 -2.236 -0.092) 4.859 18.322 ( -2.949 -2.642 0.246) 3.967 18.529 ( 9.299 -3.007 -0.089) 9.773 18.851 ( -4.662 5.743 -0.724) 7.432 18.986 ( 2.046 2.327 1.714) 3.541 19.312 ( -1.650 1.236 1.160) 2.366 19.427 ( -1.648 0.504 -1.795) 2.488 19.577 ( -4.331 5.522 -6.661) 9.676 19.826 ( -0.470 3.370 10.807) 11.331 20.174 ( 2.602 13.672 -5.144) 14.837 20.970 ( 16.333 -1.397 0.227) 16.395 21.442 ( -1.942 -3.542 1.743) 4.400 21.885 ( 0.813 -2.147 -1.616) 2.807 21.990 ( -2.410 4.960 -0.282) 5.522 22.088 ( 1.531 -0.195 0.894) 1.784 22.218 ( -1.928 5.287 -1.080) 5.730 22.916 ( 1.149 -5.432 2.699) 6.173 23.045 ( -0.460 -4.337 -2.179) 4.875 23.162 ( -3.796 -5.942 -0.553) 7.073 23.219 ( -6.452 -7.332 0.853) 9.803 ======================= Grid point 133 (55/86) ======================= q-point: ( 0.60 0.20 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.632 1.657 0.453) 8.801 1.456 ( 2.568 -5.239 -3.140) 6.626 1.748 ( 3.803 3.048 -1.561) 5.117 1.899 ( -6.261 2.153 0.969) 6.692 2.026 ( 6.421 -6.921 3.605) 10.105 2.185 ( 3.798 4.106 -0.619) 5.627 2.253 ( -4.650 -0.283 2.859) 5.466 2.326 ( -0.368 9.141 -1.315) 9.243 2.418 ( -1.584 -2.474 0.144) 2.941 2.577 ( -6.971 0.233 -1.757) 7.193 2.712 ( 6.018 -5.323 -0.124) 8.035 2.890 ( 1.688 -3.885 1.577) 4.520 2.935 ( 4.537 2.811 -0.663) 5.378 2.986 ( -3.023 -0.308 -3.748) 4.825 3.075 ( -2.434 0.103 1.596) 2.913 3.133 ( -2.781 -2.219 0.458) 3.587 3.238 ( -0.924 5.345 2.135) 5.829 3.333 ( -3.391 7.222 0.367) 7.987 3.432 ( -0.446 -2.748 -2.260) 3.586 3.453 ( -0.612 -0.107 -0.350) 0.713 3.525 ( 5.942 -2.124 -3.875) 7.405 3.601 ( -3.320 2.979 4.789) 6.545 3.707 ( -4.036 -3.876 1.387) 5.765 3.740 ( -0.198 -0.654 -2.198) 2.302 3.905 ( 4.457 -4.171 0.806) 6.158 4.010 ( 4.337 -4.627 -3.134) 7.074 4.055 ( -1.284 2.542 1.287) 3.125 4.179 ( -6.560 -4.685 2.023) 8.312 4.369 ( -0.313 -4.313 0.452) 4.347 4.540 ( -5.507 -0.432 -2.383) 6.016 4.598 ( -2.553 -2.087 2.509) 4.143 4.711 ( 2.621 -2.200 -3.233) 4.707 4.907 ( -0.983 -1.695 1.601) 2.530 5.016 ( -0.826 -0.179 -2.542) 2.679 5.177 ( 3.100 -5.582 2.001) 6.691 5.203 ( -2.593 -4.041 1.585) 5.056 5.294 ( 6.386 1.626 0.296) 6.597 5.471 ( -0.093 -2.087 0.214) 2.100 5.567 ( -3.571 -0.527 0.175) 3.613 5.619 ( 4.395 -0.673 2.133) 4.931 5.768 ( 1.176 2.288 -2.052) 3.291 5.943 ( -5.084 -3.073 -2.841) 6.585 6.063 ( -2.849 3.913 3.709) 6.098 6.220 ( -0.355 -0.641 -2.514) 2.619 6.351 ( 1.638 11.790 2.767) 12.221 6.466 ( 2.408 12.276 -2.038) 12.675 6.579 ( 1.616 2.065 -2.345) 3.518 6.684 ( -3.880 2.205 0.137) 4.465 6.763 ( 1.465 2.212 2.356) 3.548 6.975 ( -2.407 1.126 -0.902) 2.806 7.332 ( 4.348 1.981 -0.768) 4.839 7.412 ( -0.836 -1.350 4.648) 4.911 7.611 ( -5.444 1.397 -2.043) 5.981 7.738 ( -5.050 2.999 -2.847) 6.527 8.069 ( 6.509 6.313 -4.605) 10.170 8.193 ( -6.635 10.726 3.124) 12.994 8.461 ( 5.187 -5.746 2.832) 8.242 8.529 ( 6.760 -3.766 -4.806) 9.109 8.598 ( -1.783 -2.574 3.888) 4.993 8.735 ( -5.103 -5.828 4.439) 8.929 9.254 ( 6.266 2.206 0.863) 6.699 9.418 ( 1.453 4.085 -4.910) 6.550 9.813 ( 5.108 -1.100 -1.070) 5.333 9.940 ( -4.845 -3.946 1.770) 6.494 10.268 ( 1.010 -0.922 -1.459) 2.000 10.332 ( -1.686 0.660 0.261) 1.829 10.522 ( -2.713 -4.275 1.472) 5.273 10.582 ( -3.307 -1.910 -0.693) 3.881 10.882 ( 0.791 5.897 2.623) 6.503 10.979 ( 3.621 6.119 -2.387) 7.500 11.181 ( 5.135 4.037 1.671) 6.742 11.207 ( 8.029 10.214 -1.803) 13.116 11.314 ( -0.371 -0.136 -0.716) 0.818 11.451 ( -5.642 2.279 1.057) 6.176 11.905 ( 2.140 3.513 0.292) 4.124 11.919 ( 2.346 6.952 -0.347) 7.345 12.447 ( 1.248 -3.869 0.510) 4.097 12.543 ( -0.618 -4.697 -0.461) 4.760 12.734 ( 0.193 4.974 1.353) 5.158 12.905 ( -4.277 1.148 -1.480) 4.669 16.209 ( -2.038 -0.550 0.717) 2.229 16.278 ( -3.440 0.288 -0.608) 3.505 18.164 ( 4.296 -2.865 -0.011) 5.164 18.344 ( -5.582 -3.533 0.272) 6.611 18.610 ( 5.839 0.891 -1.593) 6.118 18.729 ( -3.665 2.523 0.230) 4.455 18.984 ( 3.607 1.594 5.123) 6.465 19.313 ( 1.731 4.861 -6.741) 8.489 19.379 ( 2.229 -2.617 -0.938) 3.563 19.502 ( 0.615 0.861 0.640) 1.237 19.746 ( -4.361 4.784 5.399) 8.429 19.924 ( -5.777 9.227 -2.267) 11.119 21.130 ( 14.781 -1.513 -0.035) 14.858 21.474 ( -6.236 -2.835 0.850) 6.903 21.889 ( -1.062 3.175 -0.115) 3.350 21.918 ( -0.215 -0.859 -2.409) 2.567 22.065 ( 0.095 2.320 2.907) 3.721 22.153 ( -0.380 1.282 -1.751) 2.203 23.015 ( 1.673 -3.271 0.733) 3.746 23.080 ( -1.740 -0.746 0.172) 1.901 23.251 ( -0.279 -4.860 -0.023) 4.868 23.309 ( -2.735 -5.910 -0.409) 6.525 ======================= Grid point 134 (56/86) ======================= q-point: (-0.30 0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.828 -0.927 6.414) 7.070 1.543 ( 1.765 -1.544 -6.916) 7.302 1.613 ( 3.135 13.794 1.535) 14.229 1.753 ( -3.824 7.693 -2.661) 8.994 1.996 ( -4.994 8.376 4.738) 10.841 2.064 ( 1.156 6.080 -2.344) 6.617 2.214 ( 1.478 3.254 2.549) 4.389 2.329 ( -2.767 -3.739 -0.140) 4.653 2.478 ( 2.527 -3.639 -3.838) 5.862 2.515 ( -4.818 1.328 -1.547) 5.232 2.819 ( -2.332 2.832 4.248) 5.613 2.859 ( 2.766 3.624 3.879) 5.986 2.936 ( -0.620 0.386 -4.430) 4.490 2.984 ( -3.155 -0.383 -1.024) 3.339 3.073 ( 2.500 -1.525 -0.867) 3.054 3.100 ( -1.557 -0.198 -0.298) 1.597 3.190 ( -0.211 -0.099 3.498) 3.506 3.271 ( 0.243 -2.257 -1.996) 3.023 3.419 ( -0.360 0.328 2.154) 2.208 3.498 ( 3.336 -1.430 -3.603) 5.115 3.523 ( -1.347 0.973 0.952) 1.915 3.562 ( -0.101 0.131 -4.376) 4.379 3.759 ( 1.227 -3.212 2.749) 4.402 3.802 ( -2.882 -4.261 3.887) 6.448 3.963 ( -1.139 2.787 1.250) 3.260 3.994 ( 2.086 1.139 -2.496) 3.447 4.156 ( 9.935 -3.551 -5.537) 11.915 4.224 ( -8.914 -5.361 2.392) 10.673 4.470 ( 0.178 -5.904 0.728) 5.951 4.493 ( -7.236 -1.610 2.862) 7.947 4.664 ( 3.370 -2.949 2.720) 5.240 4.783 ( 3.543 -2.471 -5.624) 7.092 4.950 ( 1.230 -2.289 0.499) 2.646 4.987 ( 0.899 1.876 -1.767) 2.730 5.217 ( -2.943 0.872 1.488) 3.411 5.272 ( -1.544 -1.007 -2.565) 3.159 5.350 ( 4.235 -1.823 6.630) 8.076 5.487 ( 1.264 0.202 -0.652) 1.436 5.525 ( -3.353 -0.321 0.479) 3.402 5.625 ( 1.883 4.509 -2.870) 5.667 5.760 ( 3.435 -0.805 1.737) 3.933 5.930 ( -5.211 -1.524 -3.160) 6.282 6.027 ( 0.874 -0.412 2.026) 2.245 6.138 ( 2.172 10.229 3.334) 10.976 6.166 ( -6.524 2.163 -2.073) 7.179 6.252 ( -1.555 8.896 -2.391) 9.342 6.599 ( 4.234 -1.345 -1.999) 4.872 6.641 ( -4.356 -0.386 1.440) 4.604 6.737 ( -0.386 2.274 4.499) 5.056 6.890 ( -1.678 5.022 -3.709) 6.464 7.346 ( 3.438 0.481 2.427) 4.236 7.480 ( -5.718 -3.833 1.263) 6.999 7.562 ( 5.773 -0.500 -3.155) 6.598 7.671 ( -5.852 -1.924 -0.602) 6.190 7.996 ( -5.858 5.349 4.466) 9.103 8.043 ( 6.670 1.185 -8.860) 11.154 8.571 ( 0.358 -3.203 3.564) 4.805 8.638 ( 4.991 -2.506 -4.400) 7.109 8.668 ( 0.555 -3.588 9.249) 9.936 8.816 ( -3.411 -5.033 2.806) 6.696 9.244 ( 6.196 3.840 -2.285) 7.639 9.331 ( -0.580 3.391 -5.928) 6.853 9.863 ( 3.140 0.677 1.976) 3.772 9.949 ( -3.768 -0.583 -0.163) 3.816 10.257 ( -1.788 0.924 1.481) 2.499 10.290 ( 0.041 2.526 -1.777) 3.088 10.603 ( -1.837 -5.331 1.078) 5.741 10.624 ( -0.597 -3.984 -1.016) 4.154 10.808 ( -2.827 1.427 4.125) 5.200 10.902 ( 2.746 3.714 -5.349) 7.067 11.076 ( 4.689 7.256 1.145) 8.715 11.113 ( 2.545 5.151 0.465) 5.764 11.356 ( 2.357 -2.023 -0.244) 3.116 11.403 ( -4.860 -1.921 0.478) 5.248 11.831 ( 1.565 4.259 -0.168) 4.540 11.851 ( -0.841 3.001 -0.051) 3.117 12.484 ( 0.508 1.558 0.880) 1.860 12.531 ( -1.511 2.887 -1.314) 3.514 12.769 ( 2.759 -5.135 2.908) 6.514 12.899 ( -2.548 -4.095 -2.477) 5.422 16.209 ( -1.842 -0.737 2.235) 2.989 16.268 ( -0.622 -1.183 -2.176) 2.554 18.254 ( 5.706 -2.369 0.199) 6.181 18.371 ( -7.061 -4.209 -0.285) 8.225 18.606 ( 4.867 2.949 -1.029) 5.784 18.665 ( -2.761 3.339 0.237) 4.340 19.012 ( 0.094 -2.264 6.243) 6.641 19.187 ( 1.052 5.122 -6.924) 8.677 19.498 ( 5.620 2.741 0.703) 6.292 19.525 ( 7.481 -6.102 0.098) 9.655 19.615 ( -3.456 5.324 0.966) 6.421 19.764 ( -13.566 -1.272 -0.091) 13.626 21.230 ( 13.764 3.374 0.121) 14.172 21.426 ( -9.930 2.211 0.073) 10.173 21.865 ( -0.012 -1.830 1.578) 2.417 21.940 ( -0.793 -2.529 -3.155) 4.120 22.051 ( 1.577 0.557 1.822) 2.473 22.117 ( -1.051 1.429 -0.987) 2.030 23.041 ( -1.446 1.841 2.418) 3.365 23.085 ( 1.567 -1.048 -2.435) 3.080 23.329 ( -0.873 -3.301 3.261) 4.722 23.403 ( 0.899 -4.999 -2.818) 5.809 ======================= Grid point 135 (57/86) ======================= q-point: (-0.20 0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.348 19.063 5.325) 19.838 1.331 ( -4.132 9.387 4.062) 11.032 1.505 ( 2.775 6.788 1.394) 7.465 1.582 ( -1.234 4.829 -4.064) 6.431 1.865 ( -0.626 3.713 0.536) 3.803 2.027 ( 3.737 -1.905 -10.315) 11.135 2.128 ( 2.674 7.395 3.319) 8.535 2.205 ( -0.831 11.430 -3.197) 11.897 2.470 ( -2.426 1.622 3.699) 4.711 2.535 ( 0.314 2.839 -1.761) 3.356 2.693 ( 0.824 6.018 7.532) 9.676 2.843 ( -0.247 3.237 -3.099) 4.488 2.876 ( -2.238 5.801 1.433) 6.381 2.917 ( -1.107 -1.458 -0.717) 1.966 3.107 ( -3.132 -1.046 1.259) 3.534 3.176 ( 5.325 -0.793 -2.390) 5.890 3.219 ( 0.567 -4.581 0.458) 4.639 3.294 ( 1.264 1.554 -3.648) 4.161 3.483 ( -0.231 -2.192 -0.779) 2.338 3.503 ( 2.758 -2.297 -2.539) 4.396 3.545 ( -6.391 -4.353 1.409) 7.860 3.580 ( 6.364 -2.092 -3.392) 7.509 3.829 ( -1.243 0.250 4.176) 4.364 3.869 ( -1.820 -2.811 2.923) 4.445 3.888 ( 0.282 -0.398 5.184) 5.207 4.005 ( 0.535 -1.813 -2.847) 3.418 4.221 ( -9.747 -3.986 -0.084) 10.531 4.280 ( 8.207 -2.038 -4.555) 9.605 4.486 ( -2.545 -0.487 6.414) 6.918 4.588 ( 1.182 -3.942 -1.911) 4.538 4.760 ( 3.274 -2.730 -1.155) 4.416 4.773 ( -0.140 3.465 -2.970) 4.566 4.965 ( -1.898 -0.446 1.557) 2.495 5.019 ( 4.137 -2.352 -3.220) 5.746 5.098 ( -7.255 6.878 6.134) 11.729 5.230 ( 4.859 4.032 -5.182) 8.168 5.415 ( -1.851 -1.885 3.409) 4.313 5.505 ( 2.029 1.441 -3.539) 4.327 5.538 ( -3.845 -2.456 1.418) 4.777 5.558 ( 1.515 -2.055 0.347) 2.576 5.794 ( 3.424 2.211 4.381) 5.984 5.913 ( -1.439 1.379 -5.097) 5.473 6.028 ( -3.696 0.266 1.361) 3.948 6.069 ( 5.981 -0.395 -2.105) 6.352 6.090 ( -4.048 -0.893 3.536) 5.449 6.168 ( 1.237 -0.818 -3.061) 3.402 6.598 ( -2.748 2.535 4.229) 5.645 6.653 ( 0.444 -0.510 2.742) 2.824 6.716 ( -1.667 -0.738 -1.349) 2.268 6.784 ( 2.771 3.109 -4.060) 5.816 7.357 ( 0.590 0.817 3.845) 3.975 7.466 ( -0.055 -0.186 -6.008) 6.011 7.690 ( 1.162 -5.589 2.711) 6.320 7.742 ( 0.363 -8.756 -2.230) 9.043 7.892 ( -7.018 1.359 6.407) 9.599 8.071 ( 7.573 0.216 -10.175) 12.686 8.622 ( -2.864 -2.370 3.354) 5.007 8.695 ( 1.963 -1.565 -1.612) 2.984 8.746 ( -2.265 -2.344 10.872) 11.350 8.871 ( -1.655 -2.237 2.096) 3.483 9.197 ( 4.087 4.638 -3.514) 7.111 9.264 ( -1.196 1.470 -7.286) 7.528 9.831 ( -0.236 3.195 3.533) 4.769 9.896 ( -0.333 4.701 -1.800) 5.045 10.246 ( -2.629 -1.865 1.293) 3.473 10.273 ( 2.884 -0.378 -0.972) 3.067 10.691 ( -0.782 -3.113 -0.085) 3.211 10.696 ( 2.777 -3.953 -0.686) 4.879 10.779 ( -5.649 -0.107 2.908) 6.355 10.839 ( 3.601 4.668 -2.470) 6.392 11.043 ( 0.557 -1.352 1.454) 2.062 11.069 ( -0.832 -0.418 -0.911) 1.303 11.408 ( -0.400 -2.829 1.407) 3.185 11.444 ( 0.760 -3.412 -1.666) 3.872 11.766 ( 0.182 3.641 0.930) 3.763 11.787 ( -0.234 2.580 -0.930) 2.752 12.425 ( -0.875 3.419 1.717) 3.925 12.467 ( 0.822 3.167 -1.958) 3.814 12.911 ( 0.064 -7.158 3.544) 7.988 12.991 ( -0.059 -6.541 -3.239) 7.300 16.218 ( -1.761 -1.048 3.566) 4.113 16.301 ( 1.763 -2.609 -3.526) 4.727 18.342 ( 4.941 -1.197 1.302) 5.248 18.372 ( -6.730 -0.970 -1.035) 6.878 18.538 ( 3.075 6.581 0.317) 7.271 18.557 ( -0.820 5.936 -0.794) 6.044 19.107 ( -5.611 -8.025 2.797) 10.184 19.165 ( 5.409 -2.487 -2.070) 6.303 19.492 ( 4.340 2.378 0.527) 4.977 19.514 ( -5.314 -0.714 -1.369) 5.533 19.717 ( 3.423 -4.963 1.210) 6.149 19.742 ( -2.804 -5.771 -0.958) 6.487 21.219 ( 10.532 9.433 0.468) 14.147 21.232 ( -10.653 7.185 -0.422) 12.857 21.944 ( 1.034 -3.049 0.968) 3.362 21.957 ( -0.397 -0.040 -0.278) 0.486 22.040 ( -2.488 0.007 3.559) 4.343 22.144 ( 2.419 -4.990 -5.186) 7.592 22.978 ( -2.246 3.709 4.999) 6.617 23.096 ( 2.551 0.832 -5.611) 6.219 23.378 ( -1.896 -1.878 5.763) 6.351 23.492 ( 1.185 -3.898 -4.323) 5.940 ======================= Grid point 136 (58/86) ======================= q-point: (-0.10 0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -4.393 14.494 -1.807) 15.253 1.028 ( 5.425 16.735 -0.241) 17.594 1.382 ( -4.920 8.686 1.936) 10.169 1.474 ( 7.582 8.625 1.469) 11.578 1.804 ( 2.324 4.952 3.988) 6.769 1.923 ( 6.033 13.611 -2.518) 15.100 2.024 ( -0.283 6.775 1.031) 6.859 2.114 ( 6.970 6.697 -2.762) 10.053 2.368 ( -0.788 -0.266 3.633) 3.727 2.419 ( -1.272 6.053 0.644) 6.219 2.667 ( 6.769 3.907 -0.622) 7.841 2.692 ( 2.255 7.893 -7.369) 11.032 2.787 ( -0.473 4.247 4.220) 6.006 2.937 ( 5.389 3.236 -4.014) 7.458 3.084 ( -5.369 0.531 1.820) 5.693 3.203 ( -0.464 -1.549 0.483) 1.688 3.255 ( -2.248 -2.140 0.804) 3.206 3.304 ( 2.568 1.328 -2.435) 3.780 3.494 ( -2.263 -4.174 0.136) 4.750 3.587 ( -0.366 -4.764 -0.087) 4.779 3.629 ( 1.220 -3.313 -5.310) 6.376 3.652 ( 1.181 -2.107 0.207) 2.424 3.763 ( -5.613 2.085 2.811) 6.615 3.915 ( 2.266 -4.204 -0.975) 4.874 3.983 ( -2.919 -2.229 2.292) 4.329 4.053 ( 0.365 -3.408 3.964) 5.240 4.223 ( -10.068 -5.605 -0.760) 11.548 4.384 ( 4.447 -2.952 2.980) 6.113 4.502 ( 3.985 -0.305 3.874) 5.566 4.585 ( -2.905 2.404 -7.944) 8.794 4.637 ( -6.891 2.691 1.910) 7.640 4.848 ( 5.756 2.199 -2.247) 6.558 4.925 ( -3.863 5.163 3.849) 7.510 4.987 ( -2.067 -3.471 0.363) 4.056 5.075 ( 0.919 -2.687 -1.728) 3.324 5.225 ( 12.160 1.850 -6.911) 14.108 5.405 ( -6.253 -0.323 4.995) 8.010 5.434 ( -6.887 2.099 0.188) 7.203 5.554 ( -5.664 -2.266 0.362) 6.111 5.700 ( 6.142 -4.806 1.278) 7.903 5.785 ( 5.610 3.221 2.197) 6.831 5.861 ( 2.414 -0.253 -6.986) 7.395 6.047 ( -3.820 -0.933 0.848) 4.023 6.072 ( -3.198 -4.375 -0.454) 5.438 6.162 ( 1.893 -0.823 -0.007) 2.064 6.258 ( 12.293 -4.513 -0.489) 13.104 6.515 ( -1.479 4.333 4.651) 6.526 6.670 ( -0.590 1.435 -2.130) 2.635 6.705 ( 2.548 -3.276 0.882) 4.243 6.836 ( 4.992 -2.637 -1.196) 5.771 7.344 ( 0.195 1.836 3.658) 4.098 7.469 ( 3.233 0.029 -6.527) 7.284 7.799 ( -2.251 -5.979 3.856) 7.462 7.846 ( -4.790 -2.777 3.165) 6.377 7.969 ( 2.767 -10.575 -1.210) 10.998 8.099 ( 5.623 0.043 -7.430) 9.317 8.634 ( -4.284 -1.275 1.339) 4.666 8.727 ( 1.358 -0.647 -1.293) 1.984 8.749 ( -6.493 0.195 8.482) 10.684 8.903 ( -2.798 -1.767 7.791) 8.465 9.122 ( 3.437 4.903 -5.003) 7.803 9.207 ( -1.878 2.444 -3.266) 4.491 9.780 ( -1.777 3.968 -1.515) 4.604 9.824 ( 4.360 -0.792 -0.668) 4.481 10.295 ( -1.079 -3.960 -0.008) 4.104 10.312 ( 1.071 -1.268 1.132) 2.009 10.665 ( -7.720 2.887 0.008) 8.242 10.762 ( 2.382 1.190 1.176) 2.911 10.793 ( 1.355 0.005 1.310) 1.884 10.816 ( 5.178 -4.760 -2.119) 7.346 11.085 ( -3.646 -2.051 -0.699) 4.241 11.119 ( 2.348 -4.710 0.760) 5.317 11.453 ( -3.674 -3.055 -0.464) 4.801 11.549 ( 7.280 -5.258 -0.423) 8.990 11.705 ( -0.685 2.435 0.698) 2.624 11.751 ( 1.979 1.710 -0.658) 2.697 12.367 ( -0.981 2.153 1.898) 3.033 12.416 ( 0.494 2.265 -1.626) 2.832 13.048 ( -1.390 -6.912 2.331) 7.426 13.111 ( 0.072 -6.200 -2.475) 6.676 16.237 ( -1.575 -1.313 4.501) 4.946 16.389 ( 4.523 -5.376 -4.160) 8.165 18.254 ( -6.318 6.550 0.448) 9.112 18.311 ( -2.004 5.597 -0.316) 5.953 18.386 ( -3.897 7.836 1.283) 8.845 18.595 ( 14.286 -3.234 -1.254) 14.700 19.212 ( -8.638 -9.457 -0.381) 12.814 19.323 ( 4.428 -6.018 0.970) 7.534 19.495 ( -2.636 -5.111 -0.091) 5.751 19.564 ( 2.614 -3.929 -0.940) 4.812 19.768 ( -5.594 -6.253 -0.051) 8.390 19.929 ( 12.517 -4.848 -0.164) 13.424 20.911 ( -14.996 12.982 0.232) 19.836 21.133 ( 12.758 11.566 0.120) 17.221 21.920 ( -0.130 3.054 0.236) 3.066 21.932 ( 1.390 2.763 -0.180) 3.098 22.127 ( -2.547 -7.354 4.389) 8.934 22.270 ( 2.200 -6.936 -6.299) 9.624 22.895 ( -2.678 4.208 6.967) 8.568 23.066 ( 2.371 2.934 -7.242) 8.166 23.390 ( -3.599 0.330 7.709) 8.514 23.534 ( -2.038 -1.387 -6.213) 6.685 ======================= Grid point 140 (59/86) ======================= q-point: ( 0.30 0.30 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 11.392 0.000 9.281) 14.694 1.207 ( 14.298 0.000 -2.489) 14.513 1.333 ( 17.800 0.000 0.060) 17.800 1.495 ( 22.846 0.000 -7.008) 23.897 1.944 ( 6.809 0.000 -0.176) 6.811 2.099 ( 11.246 0.000 2.559) 11.534 2.195 ( 23.479 0.000 -8.206) 24.872 2.329 ( -9.058 -0.000 5.778) 10.744 2.427 ( -7.134 -0.000 5.835) 9.216 2.446 ( 2.362 0.000 4.878) 5.419 2.481 ( -5.856 -0.000 -3.149) 6.650 2.516 ( 19.028 0.000 -7.195) 20.343 2.796 ( 2.523 0.000 -1.360) 2.866 2.978 ( 5.578 0.000 -0.152) 5.580 3.004 ( 0.094 0.000 -3.119) 3.120 3.109 ( 3.613 0.000 3.091) 4.755 3.240 ( -8.054 -0.000 -0.708) 8.085 3.347 ( -0.844 -0.000 5.126) 5.195 3.462 ( -1.780 -0.000 -7.917) 8.115 3.481 ( 1.615 0.000 3.430) 3.791 3.589 ( -1.271 -0.000 -1.886) 2.275 3.657 ( 4.154 0.000 2.541) 4.870 3.824 ( -2.997 -0.000 -3.511) 4.616 3.926 ( 2.477 0.000 3.258) 4.093 4.025 ( 3.780 0.000 -0.705) 3.845 4.038 ( -17.783 -0.000 6.604) 18.970 4.151 ( 0.025 0.000 -7.036) 7.036 4.348 ( -4.178 -0.000 4.088) 5.845 4.472 ( -10.015 -0.000 1.071) 10.072 4.549 ( -4.214 -0.000 -0.295) 4.224 4.670 ( -4.417 -0.000 -2.897) 5.282 4.723 ( -8.511 -0.000 0.677) 8.538 4.846 ( 2.075 0.000 -6.009) 6.358 4.911 ( 0.171 0.000 -2.337) 2.344 5.018 ( 0.956 0.000 1.616) 1.878 5.108 ( -7.419 -0.000 7.154) 10.306 5.219 ( -6.973 -0.000 -3.998) 8.038 5.226 ( -4.666 -0.000 1.544) 4.914 5.342 ( -10.426 -0.000 7.250) 12.699 5.569 ( 2.458 0.000 -8.104) 8.468 5.745 ( -0.371 -0.000 1.985) 2.019 5.783 ( -0.198 -0.000 -0.679) 0.708 6.033 ( -1.455 -0.000 -0.740) 1.632 6.096 ( -0.236 -0.000 1.848) 1.863 6.459 ( 7.425 0.000 -0.681) 7.457 6.705 ( 0.153 0.000 2.664) 2.669 6.743 ( 10.295 0.000 -2.129) 10.513 6.812 ( 8.883 0.000 -2.516) 9.233 7.100 ( 6.358 0.000 -0.772) 6.405 7.187 ( -1.166 -0.000 2.477) 2.737 7.518 ( -4.821 -0.000 -1.887) 5.177 7.680 ( 6.808 0.000 -4.458) 8.138 7.724 ( -1.265 -0.000 5.821) 5.957 8.065 ( -11.948 -0.000 -4.023) 12.607 8.260 ( -2.353 -0.000 3.658) 4.350 8.283 ( -4.355 -0.000 -4.458) 6.232 8.354 ( -4.027 -0.000 3.657) 5.440 8.419 ( 1.671 0.000 0.910) 1.902 9.033 ( 4.856 0.000 -1.338) 5.037 9.068 ( 0.539 0.000 2.281) 2.344 9.256 ( -4.223 -0.000 5.857) 7.221 9.349 ( 10.039 0.000 -7.067) 12.277 9.817 ( -0.313 -0.000 1.514) 1.546 9.916 ( -11.445 -0.000 -0.537) 11.457 10.080 ( 3.196 0.000 -8.167) 8.770 10.177 ( -3.708 -0.000 7.763) 8.603 10.601 ( 1.456 0.000 2.363) 2.776 10.614 ( 1.184 0.000 0.214) 1.204 10.940 ( 9.174 0.000 1.947) 9.378 11.148 ( -2.736 -0.000 -5.672) 6.297 11.249 ( 5.593 0.000 0.388) 5.607 11.269 ( 7.191 0.000 3.279) 7.903 11.460 ( -5.008 -0.000 -1.612) 5.261 11.502 ( -1.364 -0.000 0.826) 1.595 12.210 ( -1.049 -0.000 -0.244) 1.077 12.216 ( -2.510 -0.000 -0.150) 2.515 12.738 ( 10.710 0.000 -5.735) 12.148 12.742 ( 13.163 0.000 6.685) 14.763 13.122 ( -4.399 -0.000 0.881) 4.486 13.136 ( -3.560 -0.000 -1.436) 3.838 16.243 ( -5.496 -0.000 1.226) 5.631 16.594 ( -21.074 -0.000 1.484) 21.126 18.121 ( 8.958 0.000 -0.123) 8.959 18.144 ( 7.351 0.000 0.098) 7.351 18.584 ( 6.664 0.000 3.786) 7.665 18.623 ( 5.113 0.000 -3.187) 6.025 19.088 ( -10.428 -0.000 1.015) 10.477 19.119 ( -8.731 -0.000 -1.091) 8.799 19.796 ( -3.741 -0.000 0.146) 3.744 19.962 ( -1.365 -0.000 -4.694) 4.889 20.036 ( 2.217 0.000 10.527) 10.758 20.715 ( 11.203 0.000 -20.128) 23.036 21.001 ( 20.054 0.000 1.682) 20.124 21.196 ( 9.858 0.000 12.305) 15.767 21.961 ( -2.077 -0.000 0.506) 2.137 22.088 ( 5.971 0.000 -1.346) 6.121 22.339 ( -8.286 -0.000 11.761) 14.387 22.345 ( -0.421 -0.000 -5.990) 6.004 22.500 ( -1.528 -0.000 -1.612) 2.221 22.739 ( -8.435 -0.000 -3.246) 9.038 22.814 ( -2.924 -0.000 0.309) 2.940 22.852 ( -3.670 -0.000 1.112) 3.835 ======================= Grid point 141 (60/86) ======================= q-point: ( 0.40 0.30 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 12.789 -3.200 2.041) 13.341 1.379 ( 10.731 -3.576 -1.173) 11.372 1.461 ( 11.179 -0.765 3.589) 11.766 1.640 ( 19.443 1.983 -6.685) 20.655 1.918 ( 3.114 3.566 2.260) 5.247 2.114 ( -3.931 5.609 3.578) 7.728 2.214 ( -1.307 -1.493 -0.716) 2.110 2.378 ( 7.988 -4.064 -0.101) 8.963 2.425 ( 2.742 -1.313 -2.427) 3.890 2.505 ( -6.847 -9.039 -0.177) 11.341 2.575 ( 1.360 -6.307 1.748) 6.684 2.711 ( 14.861 -2.483 -3.067) 15.376 2.815 ( 7.994 -1.086 -3.950) 8.983 2.983 ( 3.277 1.411 2.365) 4.281 3.028 ( -3.470 -1.070 1.185) 3.819 3.153 ( -6.105 1.189 -2.725) 6.791 3.184 ( 7.855 -2.035 3.584) 8.871 3.313 ( -2.143 2.720 2.999) 4.581 3.421 ( -3.163 0.492 -6.187) 6.966 3.511 ( 2.041 -0.359 3.030) 3.671 3.539 ( -0.458 4.384 -0.353) 4.422 3.711 ( 3.629 3.828 -1.295) 5.432 3.739 ( 0.923 1.333 -0.984) 1.896 3.878 ( -10.363 0.209 0.961) 10.410 3.948 ( 0.410 3.141 5.920) 6.714 4.063 ( -1.712 0.917 0.247) 1.957 4.120 ( 2.003 0.539 -4.030) 4.533 4.277 ( -6.687 3.116 0.075) 7.378 4.408 ( -5.548 4.982 4.915) 8.931 4.492 ( -2.831 -1.974 -0.520) 3.491 4.614 ( -1.699 0.763 -7.391) 7.622 4.666 ( -6.273 -1.852 -0.313) 6.548 4.811 ( -5.695 2.307 0.994) 6.225 4.940 ( -3.119 -2.353 -2.973) 4.909 5.046 ( -2.148 -3.394 0.711) 4.080 5.111 ( -0.944 -1.732 0.283) 1.993 5.178 ( -3.408 0.294 3.323) 4.769 5.220 ( -8.220 -2.065 3.478) 9.161 5.299 ( -4.029 -5.817 1.716) 7.281 5.562 ( 2.111 0.960 -4.972) 5.486 5.762 ( -2.083 -2.859 0.127) 3.540 5.825 ( -1.095 -2.495 0.880) 2.864 6.047 ( 4.556 -1.284 -3.094) 5.655 6.113 ( -1.199 -1.523 3.314) 3.839 6.514 ( 7.102 0.267 -0.873) 7.161 6.688 ( 0.163 1.469 2.249) 2.691 6.807 ( 9.080 0.883 -2.306) 9.410 6.899 ( 2.353 -2.342 0.045) 3.320 7.096 ( 4.700 5.025 -1.894) 7.137 7.189 ( -1.446 0.103 -0.438) 1.515 7.474 ( -4.417 0.856 0.709) 4.555 7.613 ( 4.681 5.802 -0.612) 7.480 7.733 ( -2.580 2.717 3.507) 5.132 7.944 ( -11.227 1.731 -4.313) 12.151 8.180 ( -0.263 2.207 2.021) 3.004 8.275 ( 1.331 2.132 -0.610) 2.586 8.354 ( -0.547 -4.209 -0.122) 4.247 8.485 ( -2.807 -3.712 1.382) 4.855 8.949 ( 0.777 10.497 0.052) 10.526 9.020 ( -0.319 8.063 -3.402) 8.757 9.193 ( -2.356 1.266 11.495) 11.802 9.423 ( 8.272 -1.788 -8.100) 11.714 9.787 ( -2.247 0.470 0.911) 2.469 9.855 ( -4.339 0.439 0.361) 4.377 10.126 ( 5.830 -1.753 -7.497) 9.658 10.198 ( -4.325 -3.224 6.186) 8.208 10.575 ( 2.366 2.557 0.312) 3.498 10.629 ( -1.839 0.673 1.475) 2.451 11.013 ( 8.874 -0.450 -0.358) 8.892 11.158 ( 1.769 -1.097 -1.829) 2.771 11.295 ( 5.777 1.685 0.362) 6.028 11.320 ( 3.500 -1.477 3.218) 4.979 11.408 ( -4.051 0.966 -2.617) 4.919 11.504 ( -2.889 -1.759 0.517) 3.422 12.201 ( -1.222 -1.541 -0.085) 1.968 12.244 ( -1.555 -3.474 -0.183) 3.811 12.606 ( 10.090 15.900 -0.020) 18.831 12.748 ( 10.361 13.830 0.883) 17.303 13.037 ( -5.723 1.319 -0.013) 5.873 13.116 ( -3.502 2.082 -0.654) 4.126 16.204 ( -5.370 -0.437 1.311) 5.545 16.426 ( -15.279 1.654 -0.255) 15.370 18.119 ( 8.075 4.291 -0.016) 9.145 18.241 ( 4.203 -2.052 -0.052) 4.677 18.473 ( 12.348 3.426 0.286) 12.818 18.924 ( -1.264 -8.201 0.540) 8.315 19.035 ( -10.779 -1.516 -0.727) 10.909 19.066 ( -7.804 -6.640 -0.098) 10.247 19.643 ( -3.135 11.123 0.984) 11.598 19.865 ( -2.731 6.791 -7.209) 10.274 20.046 ( 4.161 4.321 14.250) 15.461 20.663 ( 7.868 8.095 -16.370) 19.885 21.083 ( 17.872 5.728 2.568) 18.943 21.337 ( 5.802 -3.038 7.971) 10.317 21.874 ( 1.338 4.769 -1.403) 5.148 22.040 ( 0.956 2.238 -0.802) 2.563 22.238 ( -1.608 6.473 0.449) 6.685 22.391 ( -4.505 -1.277 0.454) 4.704 22.622 ( -0.672 -9.366 1.057) 9.449 22.785 ( -5.896 -8.448 1.426) 10.400 22.820 ( -2.473 -7.717 -3.424) 8.797 22.916 ( -5.124 -6.414 1.036) 8.274 ======================= Grid point 142 (61/86) ======================= q-point: ( 0.50 0.30 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 3.026 1.141 5.378) 6.276 1.447 ( 11.924 1.939 -2.082) 12.259 1.607 ( 9.319 -6.609 -5.605) 12.725 1.690 ( 3.846 -0.634 0.093) 3.899 1.906 ( 2.089 0.725 5.632) 6.050 2.070 ( 2.510 -1.464 -2.403) 3.771 2.271 ( 3.939 -3.094 -1.988) 5.389 2.428 ( -0.701 -0.330 1.361) 1.566 2.506 ( -9.322 -5.223 1.141) 10.746 2.560 ( -2.578 -3.298 -2.525) 4.889 2.734 ( 4.443 0.592 3.752) 5.845 2.772 ( 9.021 -0.785 -2.703) 9.450 2.934 ( 1.857 -0.687 -3.913) 4.385 2.979 ( 0.272 -2.643 1.536) 3.069 3.016 ( -2.059 -0.397 4.001) 4.517 3.109 ( -0.262 0.083 -2.372) 2.388 3.248 ( -2.686 0.379 1.324) 3.018 3.316 ( 7.339 -3.906 0.931) 8.365 3.372 ( -2.722 -0.557 -3.738) 4.657 3.467 ( -0.484 1.660 -0.533) 1.809 3.545 ( 3.860 0.765 3.151) 5.041 3.610 ( -2.042 2.613 0.006) 3.316 3.702 ( 1.693 5.814 -2.692) 6.627 3.834 ( -8.578 -0.522 3.889) 9.432 3.921 ( 0.591 3.718 -2.932) 4.772 3.971 ( 7.492 3.240 1.000) 8.223 4.145 ( -7.839 3.106 -1.331) 8.537 4.201 ( 2.442 -2.936 -0.477) 3.848 4.245 ( -5.456 6.056 4.063) 9.108 4.513 ( -5.667 -2.292 0.698) 6.152 4.565 ( 2.333 1.781 -6.974) 7.567 4.668 ( -3.312 -1.311 0.488) 3.595 4.795 ( -7.074 -3.930 4.043) 9.046 4.933 ( -1.173 -1.837 -4.499) 4.999 5.060 ( -4.758 1.001 5.391) 7.260 5.080 ( -1.487 -2.433 -2.450) 3.760 5.229 ( -0.225 -5.143 3.812) 6.406 5.302 ( 0.075 -6.518 -0.285) 6.524 5.425 ( -0.635 -7.088 -0.765) 7.157 5.564 ( 3.259 -0.199 -1.115) 3.450 5.795 ( -5.078 -2.969 -0.210) 5.886 5.841 ( -1.551 -0.571 0.650) 1.776 6.116 ( 4.843 -1.209 -1.743) 5.287 6.153 ( 0.433 -2.490 1.148) 2.776 6.552 ( 5.516 1.081 -0.536) 5.647 6.665 ( 0.133 1.397 0.143) 1.410 6.829 ( 5.944 3.656 0.241) 6.983 6.913 ( -1.024 2.095 1.839) 2.969 6.978 ( -0.556 7.077 -0.055) 7.099 7.087 ( -2.464 9.038 -3.915) 10.153 7.419 ( 0.914 2.761 2.231) 3.666 7.557 ( 1.794 5.276 1.237) 5.708 7.665 ( -0.437 1.401 -0.702) 1.627 7.808 ( -9.689 1.638 -4.202) 10.687 8.199 ( 0.424 -2.554 4.289) 5.010 8.300 ( 4.804 -2.467 -2.095) 5.793 8.426 ( 1.449 -2.268 -0.298) 2.708 8.526 ( -4.382 -3.458 2.088) 5.960 8.711 ( -0.405 12.378 -0.414) 12.392 8.754 ( -3.469 15.126 -1.311) 15.574 9.241 ( 2.540 -2.176 7.965) 8.638 9.491 ( 4.357 -1.177 -7.262) 8.550 9.796 ( -0.366 -2.078 0.159) 2.116 9.818 ( -0.490 1.150 0.629) 1.399 10.191 ( 4.285 -2.058 -3.648) 5.991 10.240 ( -4.190 -3.517 2.634) 6.071 10.541 ( 1.880 2.806 -0.585) 3.428 10.582 ( -3.233 1.799 1.502) 3.993 11.078 ( 4.877 0.782 -1.354) 5.122 11.193 ( 6.566 0.374 2.276) 6.960 11.249 ( 2.845 5.724 -0.779) 6.440 11.349 ( -2.225 1.629 -2.421) 3.669 11.396 ( 1.928 -1.679 2.615) 3.657 11.519 ( -3.417 -1.843 -0.339) 3.898 12.250 ( 0.831 -2.884 0.016) 3.002 12.301 ( -0.833 1.756 -0.132) 1.948 12.360 ( 7.282 10.729 0.569) 12.979 12.466 ( 5.421 19.289 -0.327) 20.039 12.957 ( -4.465 3.927 1.609) 6.160 13.020 ( -2.799 3.886 -1.992) 5.187 16.185 ( -3.192 -0.873 0.979) 3.451 16.305 ( -8.769 0.859 -0.608) 8.832 18.119 ( 6.860 1.657 0.010) 7.057 18.273 ( -1.609 -0.543 -0.052) 1.699 18.577 ( 12.658 -1.297 0.320) 12.728 18.897 ( -5.808 2.888 -0.878) 6.545 19.011 ( -0.480 -1.284 1.376) 1.943 19.215 ( -9.451 -10.961 -0.451) 14.480 19.416 ( -2.088 8.430 2.010) 8.914 19.658 ( -3.975 9.101 -9.851) 13.988 20.005 ( 4.553 7.191 15.987) 18.112 20.474 ( 5.105 13.600 -11.422) 18.479 21.123 ( 15.625 3.686 1.566) 16.130 21.394 ( -1.397 -0.185 3.165) 3.464 21.859 ( 2.046 -1.102 -0.835) 2.469 22.011 ( -3.545 0.598 -3.065) 4.724 22.139 ( 2.290 3.613 2.789) 5.107 22.303 ( -3.336 5.285 -1.045) 6.337 22.802 ( 1.429 -8.471 1.912) 8.801 22.922 ( -1.669 -7.727 -0.865) 7.952 22.978 ( -2.475 -9.633 -2.274) 10.203 23.008 ( -6.694 -8.233 1.904) 10.780 ======================= Grid point 143 (62/86) ======================= q-point: ( 0.60 0.30 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -1.144 0.537 3.651) 3.863 1.462 ( 10.829 3.843 -7.631) 13.793 1.729 ( -2.577 -4.813 4.294) 6.946 1.828 ( 1.076 -5.647 -5.107) 7.689 1.972 ( 7.674 -4.218 4.869) 10.019 2.111 ( -0.542 -2.258 -1.469) 2.748 2.361 ( 2.666 -0.928 1.209) 3.071 2.420 ( -0.171 1.269 0.806) 1.514 2.450 ( -4.353 2.847 -0.105) 5.202 2.530 ( -9.105 5.059 0.030) 10.417 2.689 ( 3.290 -1.582 4.252) 5.604 2.853 ( 2.746 0.054 -4.895) 5.613 2.922 ( 1.043 -0.967 1.793) 2.289 3.028 ( -3.300 -1.641 -1.864) 4.130 3.045 ( 3.353 -0.209 -1.147) 3.550 3.098 ( 0.286 -0.014 -1.747) 1.770 3.271 ( -0.866 -1.382 3.874) 4.203 3.371 ( -3.068 0.035 -3.036) 4.316 3.435 ( 2.527 -0.574 2.471) 3.581 3.476 ( 5.859 -3.991 -0.486) 7.106 3.541 ( 2.350 7.716 -0.922) 8.118 3.587 ( -3.388 -2.904 -2.420) 5.076 3.614 ( -1.467 0.338 2.395) 2.829 3.726 ( -5.431 0.041 -1.473) 5.628 3.902 ( 1.307 0.603 3.276) 3.578 4.000 ( 4.582 1.616 -2.909) 5.663 4.062 ( -2.176 -1.988 0.046) 2.948 4.102 ( -3.598 2.511 0.480) 4.414 4.303 ( 3.390 -2.766 0.791) 4.446 4.466 ( -9.514 0.045 -2.528) 9.844 4.568 ( -0.379 -0.778 4.564) 4.645 4.688 ( 3.365 -2.131 -5.836) 7.065 4.847 ( -2.776 -4.428 5.761) 7.778 4.969 ( -1.056 -2.366 -2.274) 3.447 5.083 ( -3.966 -4.864 3.753) 7.313 5.119 ( 2.755 -2.699 -4.802) 6.158 5.334 ( 1.568 -3.017 4.883) 5.950 5.411 ( 0.949 -4.743 -0.531) 4.866 5.526 ( 1.149 -2.917 -1.334) 3.407 5.609 ( 0.522 -2.295 -1.242) 2.661 5.792 ( -1.690 -0.015 0.666) 1.817 5.849 ( -2.260 -2.033 -0.097) 3.042 6.127 ( 0.198 2.434 2.308) 3.360 6.202 ( 1.256 -1.453 -2.989) 3.553 6.548 ( 4.265 3.875 0.292) 5.770 6.622 ( -1.962 4.186 -0.994) 4.729 6.707 ( -0.182 9.501 3.558) 10.147 6.774 ( -0.530 10.698 -1.460) 10.810 6.879 ( 3.998 6.955 -3.022) 8.573 6.939 ( -4.156 -1.235 0.812) 4.412 7.391 ( 0.624 1.713 3.190) 3.674 7.470 ( 3.355 5.039 1.206) 6.173 7.601 ( -5.004 2.499 -0.201) 5.597 7.736 ( -2.054 0.977 -7.692) 8.021 8.243 ( 0.862 3.500 5.157) 6.292 8.374 ( 1.694 4.943 -2.067) 5.619 8.424 ( -1.814 5.572 1.529) 6.056 8.481 ( 3.866 -2.005 -2.694) 5.121 8.545 ( -2.563 -1.749 2.725) 4.129 8.610 ( -2.326 -2.695 0.434) 3.586 9.317 ( 4.075 -0.887 4.382) 6.049 9.482 ( 0.112 2.494 -4.998) 5.586 9.821 ( -0.542 -1.510 1.684) 2.326 9.847 ( 2.129 -2.499 -2.287) 4.001 10.247 ( -2.470 -2.756 2.646) 4.549 10.282 ( 1.218 -2.383 -3.260) 4.218 10.504 ( 1.428 1.914 -0.155) 2.393 10.535 ( -3.485 0.091 0.817) 3.581 11.028 ( 1.385 6.586 2.419) 7.151 11.135 ( 2.551 7.262 -3.776) 8.573 11.259 ( 5.707 -0.507 1.214) 5.857 11.306 ( -0.586 0.905 -0.437) 1.163 11.393 ( -0.489 3.641 2.977) 4.729 11.485 ( -2.270 3.568 -1.968) 4.664 12.079 ( 4.870 12.519 -0.003) 13.433 12.123 ( -0.396 13.867 -0.074) 13.873 12.368 ( 1.228 -4.934 1.501) 5.301 12.433 ( -0.257 -5.694 -1.290) 5.844 12.839 ( -1.358 5.489 2.188) 6.063 12.922 ( -2.317 3.790 -2.471) 5.083 16.189 ( -0.509 -0.755 0.777) 1.197 16.246 ( -4.184 -0.074 -0.589) 4.226 18.163 ( 5.711 -0.958 0.109) 5.792 18.257 ( -5.039 -1.173 -0.128) 5.175 18.663 ( 5.910 0.546 1.020) 6.022 18.778 ( -3.128 4.563 -2.904) 6.248 19.060 ( 4.610 0.634 6.665) 8.129 19.301 ( -0.448 -4.162 0.058) 4.187 19.369 ( -5.622 -5.709 0.113) 8.013 19.440 ( -3.800 7.323 -10.880) 13.654 19.904 ( 1.869 9.605 12.856) 16.156 20.185 ( 1.614 16.591 -7.402) 18.239 21.212 ( 13.336 -0.685 0.351) 13.358 21.371 ( -7.915 -1.503 1.214) 8.147 21.900 ( 1.694 -1.074 -0.852) 2.179 21.946 ( -2.204 2.712 -1.455) 3.786 22.114 ( -0.029 2.285 3.048) 3.809 22.188 ( -0.546 3.578 -2.187) 4.229 22.954 ( 2.393 -5.145 1.316) 5.825 23.021 ( -1.495 -4.149 -1.106) 4.547 23.119 ( -3.145 -7.908 1.606) 8.661 23.146 ( -1.109 -8.661 -1.359) 8.837 ======================= Grid point 144 (63/86) ======================= q-point: (-0.30 -0.70 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 3.968 0.344 -0.659) 4.037 1.475 ( 2.631 -2.058 -7.211) 7.948 1.755 ( -6.600 1.699 4.657) 8.255 1.841 ( 2.786 2.232 -2.580) 4.405 2.093 ( -6.551 -1.584 11.778) 13.570 2.192 ( -4.493 2.607 0.489) 5.217 2.211 ( 2.463 3.624 0.067) 4.382 2.340 ( 5.701 6.994 -6.105) 10.894 2.427 ( 2.576 -1.758 1.922) 3.664 2.475 ( -4.117 -3.541 -1.239) 5.570 2.815 ( 3.398 -3.520 0.770) 4.953 2.866 ( -4.157 -4.804 -1.751) 6.590 2.917 ( 1.157 3.998 2.122) 4.672 2.999 ( -0.257 1.258 -2.996) 3.260 3.060 ( -0.985 -1.289 1.664) 2.324 3.130 ( 4.541 -0.367 -4.446) 6.366 3.237 ( 1.338 3.055 2.104) 3.943 3.308 ( 1.328 9.770 -3.219) 10.372 3.389 ( -4.072 -1.430 4.021) 5.899 3.469 ( 0.250 -1.739 -2.057) 2.705 3.538 ( -4.369 1.845 2.028) 5.158 3.602 ( 6.229 -1.085 -3.426) 7.192 3.661 ( -2.483 -4.552 4.611) 6.939 3.751 ( 1.797 -1.504 -3.453) 4.173 3.979 ( 2.153 -4.860 1.388) 5.494 4.007 ( -1.755 -0.312 -1.162) 2.128 4.061 ( -6.516 -1.879 2.949) 7.395 4.138 ( 6.890 -4.474 -3.423) 8.900 4.385 ( 2.559 -2.729 1.389) 3.991 4.416 ( -4.467 -2.125 -0.839) 5.017 4.598 ( -3.885 -3.125 6.384) 8.101 4.757 ( 5.036 -2.796 -7.839) 9.727 4.914 ( 0.180 -2.124 3.244) 3.882 4.987 ( -1.136 -1.129 -3.305) 3.673 5.139 ( -3.726 -3.939 3.403) 6.401 5.221 ( 2.977 -4.328 -2.561) 5.844 5.397 ( 1.353 -1.013 6.798) 7.005 5.482 ( 2.516 -1.084 -0.171) 2.745 5.542 ( 0.691 1.153 0.723) 1.527 5.614 ( -7.235 -1.228 -5.207) 8.998 5.798 ( 3.102 0.398 2.623) 4.082 5.867 ( -1.225 -1.162 -3.603) 3.979 6.077 ( 2.375 2.471 4.825) 5.918 6.181 ( -1.213 3.582 -4.681) 6.018 6.375 ( -1.507 12.332 4.920) 13.362 6.473 ( 1.143 12.398 -4.036) 13.088 6.589 ( -5.003 0.811 1.369) 5.250 6.636 ( 4.632 2.370 -3.049) 6.031 6.835 ( 4.072 3.672 4.238) 6.930 6.916 ( -3.313 0.786 -3.145) 4.635 7.372 ( -5.502 -0.907 3.538) 6.604 7.441 ( 6.981 2.744 1.534) 7.656 7.541 ( -4.123 -0.861 0.632) 4.259 7.681 ( 3.960 3.051 -8.082) 9.503 8.107 ( -4.843 10.472 0.937) 11.575 8.153 ( 5.866 6.517 -3.047) 9.283 8.489 ( -3.914 -5.047 5.459) 8.402 8.581 ( -1.592 -3.906 -0.103) 4.219 8.627 ( 3.936 -3.847 2.396) 6.002 8.679 ( -2.260 -6.681 0.563) 7.076 9.334 ( 0.471 2.172 0.469) 2.271 9.401 ( 1.830 4.519 -4.736) 6.797 9.845 ( -4.815 -1.962 3.359) 6.190 9.917 ( 5.012 -2.347 -2.978) 6.284 10.263 ( -3.572 -0.826 2.260) 4.307 10.317 ( 2.499 0.182 -2.913) 3.843 10.510 ( 0.283 -2.007 2.064) 2.893 10.547 ( -0.332 -3.368 -1.284) 3.620 10.897 ( -0.530 7.059 4.094) 8.177 11.000 ( 0.911 6.729 -4.995) 8.430 11.228 ( -2.717 6.697 3.289) 7.940 11.285 ( 2.484 5.738 -2.036) 6.576 11.345 ( -2.208 -0.162 0.840) 2.368 11.361 ( 2.048 2.910 -0.613) 3.611 11.925 ( -0.366 6.035 0.447) 6.062 11.936 ( 0.325 6.077 -0.498) 6.106 12.474 ( 0.568 -3.755 1.812) 4.208 12.516 ( -0.679 -3.181 -1.843) 3.739 12.764 ( 0.624 2.214 3.417) 4.119 12.844 ( -0.546 1.366 -3.404) 3.708 16.203 ( 0.993 -0.055 1.409) 1.725 16.235 ( -0.964 -1.101 -1.304) 1.960 18.240 ( 1.636 -2.719 0.729) 3.256 18.257 ( -1.843 -2.887 -0.742) 3.505 18.662 ( -3.305 0.680 0.921) 3.497 18.699 ( 4.311 3.069 -2.543) 5.871 19.049 ( -0.655 3.280 9.168) 9.759 19.272 ( -0.715 4.999 -11.036) 12.136 19.441 ( -0.162 -6.330 0.818) 6.385 19.460 ( 0.267 -6.922 -0.836) 6.978 19.743 ( 0.915 9.568 7.541) 12.217 19.867 ( -0.357 14.465 -3.962) 15.002 21.329 ( -4.116 -1.507 1.111) 4.522 21.348 ( 3.929 -2.212 -0.424) 4.528 21.880 ( 0.023 2.560 0.177) 2.566 21.909 ( 0.593 0.291 -2.636) 2.718 22.079 ( -0.241 0.860 3.428) 3.542 22.139 ( -0.319 1.918 -2.015) 2.800 23.044 ( 0.997 -1.875 0.420) 2.164 23.059 ( -0.326 -1.815 -0.461) 1.901 23.236 ( -2.309 -5.854 2.622) 6.817 23.294 ( 1.681 -6.679 -2.265) 7.250 ======================= Grid point 145 (64/86) ======================= q-point: (-0.20 0.30 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.410 3.453 5.664) 6.781 1.551 ( 2.054 -4.843 -9.615) 10.960 1.570 ( -6.443 11.619 3.115) 13.646 1.757 ( 4.657 10.057 -1.918) 11.248 1.936 ( -4.801 6.156 6.018) 9.857 2.081 ( 1.673 6.915 -0.059) 7.115 2.205 ( -2.965 -1.944 1.404) 3.813 2.352 ( 4.833 1.393 -0.576) 5.063 2.475 ( 1.299 2.157 -3.735) 4.505 2.549 ( 7.361 -3.834 -3.556) 9.029 2.801 ( -0.964 -0.877 5.710) 5.856 2.853 ( -4.627 2.582 3.101) 6.139 2.919 ( -1.877 4.211 -2.356) 5.178 2.994 ( 5.925 2.888 -1.389) 6.736 3.071 ( -1.634 1.817 -0.823) 2.579 3.093 ( -0.358 -5.141 -0.117) 5.154 3.209 ( 2.010 0.676 1.738) 2.742 3.309 ( 5.310 -4.006 -4.307) 7.925 3.408 ( -2.468 -2.222 3.963) 5.171 3.464 ( -3.985 0.294 -0.240) 4.003 3.523 ( 2.080 1.543 -3.956) 4.728 3.602 ( 4.326 1.072 -4.094) 6.052 3.728 ( -6.760 -4.711 4.833) 9.552 3.823 ( 3.133 -4.155 2.928) 5.971 3.948 ( -0.103 4.129 0.578) 4.170 4.028 ( 0.499 1.435 -2.264) 2.727 4.077 ( -5.505 -4.348 -0.511) 7.033 4.302 ( 8.543 -3.512 -4.672) 10.351 4.419 ( -4.877 -4.367 5.489) 8.543 4.503 ( 3.773 -4.506 1.818) 6.151 4.654 ( -6.007 -4.930 1.878) 7.995 4.820 ( 4.295 -0.695 -6.202) 7.576 4.944 ( -0.740 -0.908 -0.264) 1.201 4.999 ( 0.716 -1.444 -2.103) 2.649 5.148 ( -5.526 2.198 4.460) 7.434 5.284 ( 3.195 -1.741 -0.351) 3.655 5.413 ( 0.033 0.912 3.165) 3.294 5.513 ( 3.090 -0.192 1.447) 3.417 5.529 ( -8.389 1.816 -5.387) 10.133 5.539 ( 1.602 -0.017 2.392) 2.879 5.800 ( -3.549 -1.080 0.410) 3.732 5.901 ( 6.134 -1.370 -1.567) 6.477 6.057 ( -3.652 4.273 -0.331) 5.630 6.100 ( 3.850 2.356 2.678) 5.248 6.203 ( 3.624 6.498 0.185) 7.442 6.236 ( 1.976 8.819 -2.956) 9.509 6.564 ( -4.247 -0.866 0.841) 4.416 6.668 ( 4.385 -1.815 -1.090) 4.869 6.778 ( 1.016 5.708 5.286) 7.846 6.852 ( 0.460 2.868 -4.549) 5.397 7.362 ( -4.866 -1.849 1.986) 5.572 7.451 ( 2.728 0.983 1.279) 3.169 7.587 ( 0.222 -5.110 -3.557) 6.230 7.682 ( 7.726 -0.106 -1.111) 7.806 7.911 ( -6.474 5.451 2.663) 8.872 8.129 ( 8.260 1.562 -7.502) 11.267 8.538 ( -6.861 -3.624 4.663) 9.052 8.632 ( -4.504 -3.528 0.896) 5.791 8.698 ( -1.353 -2.653 4.167) 5.122 8.802 ( 0.457 -4.847 3.106) 5.775 9.257 ( -4.248 2.667 -2.777) 5.733 9.330 ( 4.666 4.939 -6.016) 9.075 9.832 ( -5.645 -0.439 3.035) 6.424 9.978 ( 5.077 0.745 -1.090) 5.246 10.237 ( -1.014 1.354 1.566) 2.305 10.309 ( 2.703 1.542 -1.801) 3.596 10.593 ( 0.771 -5.542 0.907) 5.669 10.635 ( 2.029 -4.519 -0.943) 5.042 10.794 ( -1.767 3.948 4.131) 5.981 10.908 ( 1.547 1.917 -4.809) 5.403 11.070 ( -6.495 4.865 1.279) 8.215 11.121 ( -1.618 7.795 0.123) 7.962 11.347 ( -1.618 -2.145 0.344) 2.709 11.415 ( 4.414 -2.031 -0.245) 4.865 11.830 ( -1.644 3.945 -0.078) 4.275 11.850 ( 0.819 3.336 -0.046) 3.435 12.481 ( -1.154 2.047 0.922) 2.524 12.532 ( 2.246 2.385 -1.292) 3.521 12.785 ( -3.268 -4.967 2.666) 6.516 12.882 ( 2.910 -4.254 -2.273) 5.633 16.214 ( 1.026 0.078 2.332) 2.549 16.264 ( 1.467 -1.982 -2.302) 3.373 18.260 ( -5.978 -2.597 -0.164) 6.520 18.356 ( 5.993 -3.420 0.565) 6.923 18.613 ( -2.859 1.747 -1.164) 3.547 18.676 ( 3.797 3.673 -0.748) 5.336 19.002 ( -4.844 0.521 6.721) 8.301 19.188 ( 2.837 1.501 -6.817) 7.534 19.473 ( -7.977 1.427 1.698) 8.280 19.547 ( -4.519 -4.599 -0.670) 6.482 19.624 ( 1.363 6.964 0.441) 7.109 19.758 ( 14.176 -1.874 0.241) 14.301 21.230 ( -13.874 2.998 0.118) 14.195 21.425 ( 9.824 2.615 0.120) 10.167 21.875 ( 0.128 -2.089 1.866) 2.804 21.923 ( 0.487 -2.229 -2.799) 3.611 22.073 ( -0.505 2.402 1.023) 2.659 22.102 ( 0.632 -0.664 -0.845) 1.247 23.030 ( -1.146 2.066 2.016) 3.106 23.103 ( 1.918 -1.065 -2.498) 3.325 23.316 ( -2.473 -3.734 3.496) 5.682 23.410 ( 1.327 -4.653 -2.596) 5.491 ======================= Grid point 146 (65/86) ======================= q-point: (-0.10 0.30 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -10.164 13.996 2.580) 17.488 1.334 ( 1.496 11.852 4.522) 12.774 1.574 ( 5.178 11.821 3.035) 13.258 1.613 ( 4.694 0.655 -2.149) 5.204 1.879 ( 3.277 1.292 -1.717) 3.918 2.046 ( 3.798 -1.582 -8.015) 9.009 2.182 ( 1.042 4.265 -1.843) 4.761 2.268 ( 10.003 9.058 0.740) 13.515 2.474 ( 1.551 0.403 1.759) 2.380 2.547 ( 0.100 10.239 2.986) 10.666 2.724 ( -0.696 1.980 4.393) 4.869 2.841 ( 2.245 5.050 -4.887) 7.377 2.893 ( -2.302 0.603 0.651) 2.467 2.915 ( 3.760 0.198 2.754) 4.665 3.085 ( 1.294 -2.372 -0.953) 2.865 3.209 ( -1.456 -2.720 1.934) 3.642 3.249 ( 4.824 -1.243 -4.350) 6.614 3.299 ( 0.992 3.923 -2.751) 4.893 3.388 ( -8.048 0.681 0.629) 8.102 3.495 ( 0.305 -4.007 -2.696) 4.839 3.545 ( 1.340 -5.669 0.608) 5.857 3.646 ( 2.896 -1.709 -2.855) 4.412 3.767 ( -7.421 -2.954 5.478) 9.685 3.828 ( -2.508 2.648 0.450) 3.675 3.970 ( 5.048 -2.517 4.127) 6.989 4.005 ( -2.500 -0.725 2.743) 3.781 4.091 ( -2.488 -1.599 -5.717) 6.437 4.350 ( -1.254 -1.875 0.758) 2.379 4.503 ( 1.337 -2.093 2.470) 3.503 4.596 ( -0.665 0.192 -2.799) 2.883 4.639 ( -5.125 0.472 0.114) 5.148 4.857 ( 5.370 -2.927 -3.627) 7.110 4.948 ( 0.257 -0.288 -2.019) 2.055 5.010 ( -7.735 4.301 5.185) 10.258 5.039 ( 0.092 -0.795 0.258) 0.841 5.339 ( -2.724 5.478 -0.724) 6.160 5.372 ( 7.248 -0.729 -0.213) 7.287 5.422 ( -6.729 1.163 -1.264) 6.944 5.504 ( -3.624 0.016 2.418) 4.357 5.642 ( 5.470 -5.406 1.048) 7.761 5.822 ( -1.953 -3.693 -1.610) 4.477 5.933 ( 3.444 6.546 1.683) 7.586 5.979 ( 3.667 -0.870 -2.564) 4.558 6.036 ( -0.762 0.628 0.024) 0.988 6.187 ( 4.524 0.950 -0.022) 4.623 6.251 ( 8.655 -3.705 -1.191) 9.489 6.570 ( -2.277 -1.621 3.098) 4.173 6.680 ( 0.347 4.788 3.103) 5.716 6.721 ( 3.829 -0.240 -3.081) 4.921 6.843 ( 5.733 -0.717 -1.193) 5.899 7.370 ( -1.532 -0.558 3.210) 3.601 7.464 ( 2.500 -0.972 -4.134) 4.928 7.680 ( -0.044 -4.683 -1.408) 4.890 7.786 ( 0.429 -2.730 -0.841) 2.888 7.829 ( -0.611 -3.453 5.712) 6.702 8.156 ( 8.128 1.232 -8.723) 11.986 8.552 ( -7.217 -3.107 2.826) 8.350 8.648 ( -8.135 -3.274 2.909) 9.238 8.724 ( -2.419 -0.840 0.837) 2.695 8.868 ( -3.130 -1.443 9.308) 9.925 9.179 ( -3.334 1.272 -3.537) 5.024 9.262 ( 4.962 4.218 -7.623) 10.026 9.795 ( -3.409 0.722 1.749) 3.899 9.938 ( 3.849 6.068 -0.352) 7.195 10.236 ( 1.167 -1.270 -0.454) 1.784 10.315 ( 2.019 -0.074 0.816) 2.178 10.677 ( -3.239 2.295 1.396) 4.208 10.714 ( -0.154 -3.981 0.293) 3.995 10.772 ( 5.987 -3.902 -1.880) 7.390 10.877 ( 0.516 4.283 0.425) 4.334 11.005 ( -4.267 -3.492 -0.248) 5.519 11.035 ( -1.975 -1.695 0.401) 2.634 11.381 ( -1.467 -2.545 -0.040) 2.938 11.502 ( 3.930 -3.773 -0.389) 5.462 11.754 ( 0.019 2.685 0.018) 2.686 11.807 ( 1.612 2.434 0.039) 2.920 12.423 ( -0.080 3.372 1.312) 3.619 12.476 ( 1.117 3.789 -1.404) 4.192 12.890 ( -3.519 -7.678 0.964) 8.500 12.997 ( 1.397 -5.575 -0.813) 5.804 16.230 ( 1.010 -0.313 2.760) 2.956 16.325 ( 2.734 -3.520 -2.762) 5.243 18.229 ( -7.477 0.631 -0.593) 7.527 18.407 ( -0.168 3.299 2.182) 3.959 18.564 ( 1.052 8.436 -1.843) 8.698 18.623 ( 8.334 -2.799 -0.397) 8.800 18.998 ( -7.581 -4.523 1.813) 9.012 19.265 ( 6.488 -5.785 -0.852) 8.734 19.384 ( -7.106 -0.213 -0.460) 7.125 19.534 ( -5.507 -1.048 0.208) 5.609 19.645 ( 4.105 -3.835 -0.057) 5.618 19.947 ( 13.929 -4.359 0.045) 14.596 21.002 ( -14.163 8.761 -0.353) 16.657 21.402 ( 8.925 7.156 0.653) 11.458 21.942 ( -0.931 -3.515 -0.519) 3.673 21.963 ( 0.551 0.493 0.056) 0.741 22.024 ( -1.300 -0.769 3.250) 3.584 22.158 ( 1.938 -4.189 -4.090) 6.167 22.969 ( -1.437 3.744 4.334) 5.905 23.110 ( 2.114 1.186 -4.957) 5.518 23.354 ( -3.936 -1.899 4.672) 6.397 23.473 ( -1.357 -2.234 -3.114) 4.066 ======================= Grid point 151 (66/86) ======================= q-point: ( 0.40 0.40 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 6.922 0.000 3.560) 7.784 1.388 ( 8.453 0.000 -2.328) 8.768 1.591 ( 14.682 0.000 0.992) 14.715 1.805 ( 17.613 0.000 -3.360) 17.930 2.010 ( 2.822 0.000 0.755) 2.921 2.141 ( -6.362 -0.000 0.854) 6.419 2.186 ( -8.778 -0.000 4.135) 9.703 2.243 ( -7.728 -0.000 1.183) 7.818 2.403 ( 0.640 0.000 -6.111) 6.144 2.431 ( -3.878 -0.000 1.742) 4.251 2.575 ( 19.057 0.000 -4.634) 19.612 2.802 ( 12.785 0.000 -2.032) 12.945 2.850 ( 4.214 0.000 -2.370) 4.834 2.980 ( -9.628 -0.000 6.368) 11.543 2.999 ( -1.297 -0.000 3.055) 3.319 3.115 ( -1.762 -0.000 -4.191) 4.547 3.257 ( 11.139 0.000 1.054) 11.189 3.304 ( -6.766 -0.000 7.517) 10.113 3.416 ( 2.332 0.000 -11.438) 11.673 3.524 ( -0.206 -0.000 2.312) 2.321 3.642 ( 9.740 0.000 -2.768) 10.126 3.743 ( -16.393 -0.000 5.234) 17.208 3.760 ( -2.484 -0.000 -2.904) 3.822 3.802 ( 11.948 0.000 4.252) 12.682 4.006 ( 0.295 0.000 3.447) 3.459 4.061 ( 1.339 0.000 -1.179) 1.784 4.191 ( 7.150 0.000 -6.059) 9.372 4.274 ( -8.415 -0.000 5.921) 10.289 4.319 ( -8.736 -0.000 1.401) 8.848 4.497 ( -2.442 -0.000 -0.670) 2.533 4.546 ( -8.419 -0.000 -0.132) 8.420 4.630 ( -3.384 -0.000 -4.065) 5.289 4.831 ( -7.823 -0.000 -0.582) 7.844 4.835 ( -0.053 -0.000 -6.024) 6.024 5.039 ( -3.829 -0.000 5.125) 6.397 5.040 ( -0.470 -0.000 -0.716) 0.857 5.114 ( -8.037 -0.000 2.181) 8.328 5.140 ( 1.371 0.000 -3.667) 3.915 5.284 ( -3.725 -0.000 10.336) 10.987 5.545 ( 0.474 0.000 -9.604) 9.615 5.763 ( 2.152 0.000 -0.491) 2.207 5.770 ( -3.103 -0.000 3.816) 4.918 6.065 ( 6.375 0.000 -4.241) 7.657 6.089 ( -2.868 -0.000 4.377) 5.233 6.573 ( 6.974 0.000 -0.862) 7.027 6.705 ( -0.886 -0.000 1.707) 1.923 6.872 ( 6.663 0.000 -2.381) 7.075 6.894 ( 1.683 0.000 0.806) 1.866 7.176 ( -0.698 -0.000 0.019) 0.698 7.178 ( 4.360 0.000 -4.167) 6.031 7.441 ( -2.952 -0.000 2.959) 4.179 7.719 ( -0.067 -0.000 0.669) 0.673 7.738 ( -1.001 -0.000 4.542) 4.651 7.865 ( -9.549 -0.000 -6.499) 11.551 8.236 ( 1.190 0.000 -3.903) 4.081 8.256 ( -1.155 -0.000 2.896) 3.118 8.313 ( -2.766 -0.000 4.868) 5.599 8.442 ( 0.954 0.000 -1.645) 1.902 9.078 ( -0.458 -0.000 1.525) 1.593 9.080 ( 1.794 0.000 -2.061) 2.733 9.215 ( -3.305 -0.000 8.073) 8.723 9.421 ( 2.739 0.000 -7.665) 8.140 9.797 ( -2.434 -0.000 1.765) 3.006 9.806 ( -1.698 -0.000 -0.949) 1.946 10.144 ( -5.205 -0.000 7.932) 9.488 10.157 ( 9.654 0.000 -9.553) 13.582 10.614 ( -1.403 -0.000 3.292) 3.579 10.632 ( 1.368 0.000 -1.128) 1.773 11.116 ( 11.317 0.000 1.382) 11.401 11.120 ( 1.578 0.000 -2.108) 2.633 11.322 ( 2.072 0.000 1.859) 2.783 11.334 ( -3.587 -0.000 -1.910) 4.063 11.399 ( 1.141 0.000 1.346) 1.764 11.470 ( -2.083 -0.000 -1.006) 2.313 12.176 ( -2.444 -0.000 0.841) 2.585 12.192 ( -0.660 -0.000 -0.983) 1.184 12.868 ( 8.104 0.000 -2.635) 8.522 12.910 ( 5.223 0.000 3.965) 6.557 13.061 ( -3.407 -0.000 -0.194) 3.412 13.075 ( -3.283 -0.000 -1.041) 3.444 16.161 ( -4.592 -0.000 1.806) 4.935 16.322 ( -12.549 -0.000 -1.010) 12.590 18.246 ( 5.820 0.000 0.493) 5.841 18.246 ( 5.359 0.000 -0.514) 5.384 18.678 ( 3.747 0.000 1.862) 4.184 18.683 ( 3.737 0.000 -1.658) 4.089 18.956 ( -6.535 -0.000 0.875) 6.594 18.987 ( -6.780 -0.000 -1.142) 6.875 19.750 ( -1.872 -0.000 0.647) 1.980 19.896 ( -3.568 -0.000 -5.536) 6.586 20.142 ( 3.273 0.000 15.097) 15.448 20.746 ( 4.547 0.000 -21.129) 21.613 21.303 ( 16.664 0.000 1.909) 16.773 21.335 ( 2.021 0.000 9.725) 9.933 21.922 ( -3.542 -0.000 2.808) 4.521 22.175 ( 4.962 0.000 -5.104) 7.118 22.268 ( -7.035 -0.000 11.104) 13.145 22.320 ( 1.790 0.000 -6.520) 6.761 22.491 ( 0.843 0.000 -1.285) 1.537 22.599 ( -7.219 -0.000 -1.702) 7.417 22.783 ( -1.444 -0.000 0.771) 1.637 22.808 ( -2.037 -0.000 0.073) 2.038 ======================= Grid point 152 (67/86) ======================= q-point: ( 0.50 0.40 -0.67) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.234 -2.192 5.499) 5.925 1.481 ( 6.199 -4.321 -4.610) 8.851 1.644 ( 6.500 5.121 5.355) 9.857 1.853 ( 9.821 6.104 -8.178) 14.163 1.961 ( 0.586 2.690 3.634) 4.559 2.057 ( -0.675 -0.884 -2.847) 3.057 2.231 ( -3.063 -5.217 2.757) 6.648 2.292 ( -1.422 -4.775 0.478) 5.005 2.411 ( -1.329 -2.644 -1.583) 3.356 2.441 ( -3.411 -4.354 -2.080) 5.910 2.769 ( 17.081 -3.989 -3.920) 17.973 2.821 ( -2.843 1.363 3.296) 4.561 2.899 ( -4.703 -1.267 0.114) 4.872 2.931 ( 0.477 -2.377 -0.834) 2.564 2.997 ( -3.679 -0.219 6.136) 7.158 3.110 ( 2.293 -0.046 -5.077) 5.571 3.240 ( -6.096 1.810 6.642) 9.195 3.343 ( 7.113 -0.439 -0.856) 7.178 3.384 ( 4.229 3.450 -6.581) 8.550 3.489 ( -3.868 1.845 -1.194) 4.449 3.620 ( -3.288 2.548 3.272) 5.292 3.674 ( 2.452 2.750 -1.712) 4.062 3.757 ( 4.773 -0.244 1.281) 4.948 3.878 ( 4.428 6.561 3.027) 8.474 3.964 ( -2.941 1.073 -0.989) 3.283 4.060 ( -2.120 -0.385 -2.582) 3.363 4.126 ( 0.055 5.071 4.287) 6.640 4.207 ( 1.677 0.116 -1.858) 2.506 4.348 ( -3.866 2.739 4.730) 6.694 4.453 ( -0.394 -0.871 -2.672) 2.838 4.520 ( -7.198 -2.921 0.944) 7.825 4.600 ( -1.012 -1.918 -5.750) 6.146 4.739 ( -3.452 2.073 3.034) 5.042 4.879 ( -1.381 -2.610 -6.641) 7.268 5.011 ( -1.480 -2.133 1.066) 2.807 5.044 ( -4.145 -0.283 0.363) 4.171 5.144 ( -1.161 -1.322 3.459) 3.880 5.165 ( -1.878 -6.568 1.298) 6.953 5.331 ( 3.284 -4.746 4.068) 7.060 5.546 ( -1.107 -1.514 -7.398) 7.632 5.742 ( -0.945 -0.052 3.708) 3.827 5.808 ( -0.281 -1.621 -0.670) 1.776 6.095 ( -3.373 -2.434 4.058) 5.811 6.129 ( 6.427 -1.594 -4.354) 7.925 6.614 ( 5.491 0.959 -0.529) 5.599 6.687 ( -0.804 1.031 -0.651) 1.460 6.899 ( -2.111 -0.377 2.550) 3.332 6.907 ( 2.700 0.662 -0.522) 2.828 7.128 ( 0.615 5.451 -0.700) 5.531 7.175 ( 1.571 2.600 -4.675) 5.576 7.449 ( 0.534 -0.278 5.805) 5.836 7.679 ( 0.514 4.984 1.491) 5.228 7.695 ( 0.138 0.994 -1.001) 1.418 7.762 ( -8.476 2.754 -4.127) 9.822 8.200 ( 0.042 1.468 2.885) 3.237 8.269 ( -0.251 -1.372 -2.144) 2.558 8.374 ( 1.640 -4.367 2.557) 5.320 8.455 ( -0.948 -1.404 -1.409) 2.204 8.954 ( -0.049 10.926 0.222) 10.928 8.985 ( -1.400 10.530 -1.537) 10.734 9.230 ( 0.471 -1.865 8.728) 8.938 9.449 ( 0.548 -2.730 -7.239) 7.756 9.783 ( 0.342 -0.315 0.828) 0.950 9.818 ( 0.187 -0.678 -1.263) 1.445 10.137 ( -6.736 -2.050 7.336) 10.168 10.218 ( 8.555 -0.740 -8.679) 12.209 10.587 ( -2.676 1.813 3.534) 4.790 10.618 ( 1.222 2.151 -1.368) 2.827 11.122 ( 5.421 0.471 -0.363) 5.453 11.232 ( 3.198 -0.199 0.937) 3.339 11.284 ( -1.586 -1.908 -0.978) 2.667 11.380 ( -1.043 0.397 0.782) 1.363 11.394 ( 3.904 -0.946 -0.119) 4.018 11.446 ( -3.836 -0.019 -0.355) 3.852 12.187 ( -0.696 -2.574 0.937) 2.827 12.220 ( -0.787 -3.291 -1.002) 3.529 12.740 ( 6.352 14.648 1.002) 15.997 12.844 ( 0.367 15.613 -0.960) 15.647 12.978 ( -0.401 0.444 1.324) 1.453 13.058 ( -2.890 2.062 -1.428) 3.827 16.148 ( -1.816 -0.927 2.061) 2.899 16.243 ( -6.590 -0.244 -1.631) 6.793 18.228 ( 5.190 3.651 0.030) 6.346 18.274 ( -0.264 1.221 -0.042) 1.250 18.664 ( 11.586 -0.389 0.001) 11.592 18.844 ( -11.741 -4.195 -0.093) 12.469 18.915 ( -0.145 -4.203 1.627) 4.509 18.992 ( -2.389 -4.640 -1.661) 5.477 19.621 ( -0.314 10.852 2.442) 11.128 19.778 ( -3.458 7.542 -7.364) 11.094 20.177 ( 3.145 3.153 16.522) 17.112 20.661 ( 1.838 6.264 -18.089) 19.231 21.320 ( 8.031 3.994 4.696) 10.125 21.420 ( 2.987 1.502 2.747) 4.327 21.880 ( -1.259 1.516 2.550) 3.223 22.032 ( 0.084 6.555 -4.914) 8.193 22.226 ( -2.521 3.247 5.987) 7.262 22.346 ( 0.668 1.103 -4.228) 4.421 22.624 ( 0.092 -9.888 1.155) 9.956 22.691 ( -3.897 -12.398 -1.287) 13.060 22.811 ( 0.643 -5.198 0.512) 5.263 22.857 ( -2.420 -4.771 -0.207) 5.354 ======================= Grid point 153 (68/86) ======================= q-point: (-0.40 -0.60 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -6.045 1.384 8.281) 10.346 1.506 ( -4.134 -1.110 4.941) 6.537 1.700 ( 5.114 -1.737 -8.153) 9.779 1.759 ( 7.701 1.770 -10.198) 12.901 1.985 ( 3.483 -1.055 3.814) 5.272 2.086 ( 1.194 -1.104 -4.287) 4.585 2.272 ( -11.367 -4.648 6.843) 14.058 2.386 ( 6.633 -1.438 -1.634) 6.981 2.475 ( 2.851 -3.209 -0.683) 4.347 2.500 ( -3.759 -2.263 -2.087) 4.859 2.721 ( -7.367 2.520 9.443) 12.239 2.880 ( -5.062 2.045 0.059) 5.460 2.935 ( 0.266 -2.936 1.136) 3.160 2.954 ( 5.677 -2.012 -2.212) 6.417 3.029 ( 2.220 -3.133 -0.604) 3.887 3.105 ( 0.865 1.405 -3.994) 4.321 3.241 ( 1.068 -2.759 2.633) 3.961 3.342 ( 1.641 0.489 -6.603) 6.822 3.410 ( 1.726 -2.513 0.611) 3.109 3.448 ( -0.554 -0.488 -1.550) 1.717 3.570 ( 0.340 1.659 2.792) 3.266 3.633 ( -0.554 0.802 -0.962) 1.369 3.705 ( -8.018 7.364 4.696) 11.856 3.756 ( 7.447 7.392 -0.442) 10.503 3.961 ( 4.098 2.761 -0.055) 4.942 3.979 ( -8.780 -1.540 -0.962) 8.965 4.114 ( 5.111 1.875 -0.982) 5.532 4.125 ( -1.819 5.018 -1.600) 5.572 4.352 ( 7.809 1.010 1.734) 8.063 4.419 ( -4.544 2.156 -3.545) 6.153 4.519 ( -8.843 -2.677 6.626) 11.370 4.657 ( 5.163 -3.580 -6.446) 9.002 4.745 ( -1.615 -3.306 7.092) 7.989 4.906 ( 0.867 -3.257 -5.283) 6.266 5.020 ( -1.821 -0.200 3.363) 3.830 5.075 ( 2.685 -3.153 -3.327) 5.312 5.250 ( 0.591 -6.448 3.666) 7.441 5.290 ( -0.513 -7.789 0.582) 7.827 5.470 ( 3.270 -5.032 0.997) 6.083 5.538 ( -5.175 -1.588 -4.467) 7.018 5.770 ( 1.406 -1.672 3.619) 4.227 5.823 ( 0.029 -0.586 -1.128) 1.271 6.142 ( -1.811 -3.471 0.714) 3.980 6.173 ( 2.268 0.280 -1.945) 3.000 6.612 ( 1.154 1.975 0.947) 2.476 6.660 ( 0.281 1.322 -3.500) 3.752 6.867 ( -3.010 2.183 2.976) 4.763 6.899 ( -2.341 1.531 3.370) 4.380 6.972 ( 2.007 10.505 -0.536) 10.708 7.061 ( 2.376 8.914 -5.307) 10.643 7.455 ( 1.288 2.969 5.971) 6.792 7.591 ( 0.362 3.798 2.643) 4.642 7.614 ( -5.646 4.129 -4.375) 8.251 7.725 ( 4.681 -0.868 -6.148) 7.776 8.205 ( -3.265 -2.569 6.756) 7.931 8.330 ( 1.792 -5.014 -3.836) 6.563 8.466 ( -1.686 -3.436 1.493) 4.108 8.477 ( 1.708 -1.421 0.342) 2.248 8.698 ( -1.042 14.774 0.322) 14.814 8.726 ( 0.836 13.568 -1.653) 13.693 9.308 ( 0.662 -3.027 7.442) 8.061 9.478 ( 0.087 -1.336 -6.910) 7.039 9.785 ( -1.906 -0.379 1.947) 2.751 9.846 ( 3.864 -0.971 -3.786) 5.496 10.143 ( -7.803 -3.116 6.153) 10.415 10.283 ( 7.324 -1.348 -6.588) 9.943 10.528 ( -3.739 1.942 3.099) 5.230 10.574 ( 1.763 3.155 -0.981) 3.745 11.141 ( 2.607 2.755 1.914) 4.249 11.199 ( -4.066 0.609 -3.273) 5.255 11.314 ( 3.799 2.165 0.860) 4.456 11.334 ( -0.795 2.810 -0.885) 3.052 11.413 ( -1.697 -0.636 3.630) 4.058 11.476 ( 0.385 -2.839 -2.090) 3.546 12.255 ( -0.247 -3.403 1.383) 3.681 12.288 ( 0.402 -3.269 -1.489) 3.615 12.446 ( -0.147 17.369 2.021) 17.487 12.490 ( -0.182 18.182 -1.832) 18.275 12.929 ( -0.035 4.112 2.315) 4.719 12.986 ( 0.202 3.742 -2.577) 4.548 16.171 ( 0.314 -1.292 2.166) 2.542 16.219 ( -0.297 -0.359 -1.937) 1.992 18.214 ( 1.009 1.624 0.355) 1.945 18.222 ( -1.000 1.358 -0.374) 1.727 18.729 ( -1.963 2.144 2.543) 3.863 18.800 ( 2.328 0.041 -3.947) 4.582 19.037 ( -0.597 -6.580 4.670) 8.091 19.118 ( 0.579 -9.189 -2.567) 9.558 19.419 ( 0.684 9.676 3.999) 10.492 19.560 ( -2.258 9.546 -9.262) 13.491 20.129 ( 1.573 7.946 15.898) 17.842 20.457 ( -0.075 12.182 -13.755) 18.375 21.313 ( -2.035 2.207 2.539) 3.932 21.342 ( 2.300 4.521 0.882) 5.148 21.884 ( -0.322 -1.589 1.458) 2.181 21.955 ( 0.212 1.249 -4.348) 4.529 22.171 ( -1.710 2.891 5.233) 6.218 22.268 ( 1.276 5.007 -3.562) 6.276 22.848 ( 3.676 -9.907 1.032) 10.617 22.882 ( -1.678 -9.034 -1.660) 9.337 22.929 ( -4.483 -7.303 2.675) 8.977 22.978 ( 2.556 -8.623 -1.647) 9.143 ======================= Grid point 154 (69/86) ======================= q-point: (-0.30 -0.60 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.337 -1.536 0.091) 4.601 1.522 ( -0.364 0.941 -2.863) 3.036 1.665 ( -5.101 -3.131 0.932) 6.057 1.863 ( 4.724 -1.640 -2.824) 5.743 2.024 ( -4.170 -0.737 1.468) 4.482 2.149 ( 4.790 -5.075 -4.137) 8.113 2.310 ( -8.601 -4.501 5.988) 11.405 2.341 ( -6.972 7.153 3.933) 10.735 2.417 ( 0.756 0.173 2.035) 2.177 2.532 ( 5.711 3.136 -0.536) 6.537 2.773 ( -0.005 -4.808 2.598) 5.465 2.801 ( 1.174 1.310 -3.154) 3.612 2.949 ( -6.156 -1.379 -0.147) 6.310 3.021 ( 5.674 3.435 -3.954) 7.722 3.052 ( 2.986 0.190 -1.142) 3.202 3.108 ( -0.077 -3.665 0.093) 3.667 3.307 ( 0.772 -2.836 0.704) 3.022 3.344 ( 3.425 2.048 -2.295) 4.603 3.436 ( -5.635 -1.516 3.061) 6.589 3.488 ( -4.036 2.775 0.094) 4.899 3.536 ( 1.420 -5.767 -0.825) 5.996 3.559 ( -0.837 7.612 -1.523) 7.808 3.673 ( 2.971 0.428 2.231) 3.740 3.696 ( 6.903 -1.788 -3.569) 7.974 3.880 ( -7.462 -0.435 4.540) 8.745 3.998 ( 2.632 0.444 -2.410) 3.596 4.062 ( -1.110 -0.586 0.042) 1.256 4.133 ( 7.611 2.234 -1.430) 8.060 4.338 ( -5.297 -1.219 -1.923) 5.765 4.401 ( 2.700 -0.702 2.765) 3.928 4.534 ( -1.180 -1.852 3.571) 4.192 4.729 ( 4.361 -1.861 -5.776) 7.473 4.854 ( 0.108 -5.223 5.232) 7.394 4.956 ( 1.258 -1.376 -1.890) 2.654 5.053 ( -1.363 -3.237 2.616) 4.380 5.161 ( 4.727 -3.931 -4.428) 7.577 5.356 ( -1.129 -4.003 4.903) 6.429 5.436 ( 0.842 -5.440 -2.065) 5.880 5.508 ( -7.031 -2.132 -1.234) 7.450 5.552 ( 0.083 -1.312 1.905) 2.315 5.813 ( 0.188 0.175 -0.081) 0.269 5.852 ( 4.436 -2.009 -0.544) 4.900 6.138 ( -0.286 2.016 2.375) 3.129 6.200 ( 0.535 -1.871 -3.600) 4.092 6.556 ( -4.205 5.382 0.296) 6.836 6.597 ( -0.723 3.766 -0.024) 3.835 6.680 ( -3.036 12.024 3.781) 12.965 6.814 ( 5.736 9.063 -3.202) 11.194 6.876 ( -3.801 0.342 -1.464) 4.088 6.945 ( 4.654 3.814 -0.007) 6.017 7.368 ( -4.863 4.164 3.544) 7.318 7.517 ( -4.608 1.843 2.093) 5.386 7.564 ( 7.546 2.953 -1.593) 8.259 7.750 ( 7.228 1.189 -7.751) 10.665 8.255 ( -3.664 -1.614 7.584) 8.576 8.329 ( -2.689 11.605 -3.250) 12.348 8.444 ( 1.209 6.342 0.939) 6.524 8.487 ( -1.866 -3.377 -2.582) 4.643 8.551 ( 1.571 -3.943 3.248) 5.345 8.600 ( 1.062 -1.382 -0.023) 1.743 9.345 ( -4.193 0.168 4.275) 5.990 9.470 ( 2.361 1.371 -5.737) 6.353 9.789 ( -1.871 -0.985 1.424) 2.550 9.892 ( 2.224 -2.568 -3.051) 4.566 10.170 ( -5.273 -4.138 3.613) 7.615 10.345 ( 5.172 -0.279 -3.228) 6.103 10.491 ( -1.826 -0.910 0.533) 2.108 10.537 ( 2.318 1.861 0.759) 3.068 11.043 ( -1.760 7.244 2.511) 7.866 11.117 ( -1.091 5.448 -3.507) 6.570 11.279 ( -3.696 1.792 0.109) 4.109 11.296 ( -3.322 0.058 -0.260) 3.333 11.386 ( 0.513 4.166 3.381) 5.390 11.487 ( 3.050 2.828 -1.920) 4.581 12.079 ( -4.763 12.313 -0.024) 13.202 12.123 ( 0.383 14.065 -0.072) 14.070 12.381 ( -1.275 -5.149 1.446) 5.499 12.419 ( 0.185 -5.493 -1.213) 5.629 12.852 ( 1.233 5.184 2.332) 5.817 12.909 ( 2.527 4.092 -2.605) 5.470 16.204 ( 1.026 -1.322 0.183) 1.684 16.232 ( 3.734 0.509 -0.069) 3.769 18.166 ( -5.806 -1.028 -0.055) 5.897 18.253 ( 5.038 -1.035 0.091) 5.144 18.650 ( -6.864 1.214 1.404) 7.110 18.790 ( 5.316 3.453 -3.229) 7.114 19.097 ( -7.076 -0.225 6.253) 9.445 19.297 ( 3.637 0.716 -0.090) 3.708 19.353 ( 4.880 -5.544 -2.414) 7.770 19.390 ( 0.956 3.000 -4.827) 5.763 19.977 ( 0.198 11.046 11.458) 15.917 20.149 ( -1.397 15.562 -9.200) 18.132 21.203 ( -13.558 -0.603 0.860) 13.599 21.383 ( 7.618 -1.276 0.577) 7.745 21.905 ( -0.988 -0.329 -1.483) 1.812 21.941 ( 2.832 1.383 -0.838) 3.261 22.101 ( -3.012 2.343 3.259) 5.018 22.193 ( 2.071 3.903 -1.991) 4.847 22.991 ( -0.137 -4.625 1.151) 4.768 22.997 ( 0.185 -4.293 -1.667) 4.609 23.089 ( 0.204 -8.628 1.939) 8.846 23.167 ( 3.293 -8.286 -1.146) 8.990 ======================= Grid point 155 (70/86) ======================= q-point: (-0.20 -0.60 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.006 -6.245 -7.670) 10.092 1.478 ( 0.382 2.551 -2.902) 3.883 1.663 ( -5.029 2.746 2.464) 6.237 1.889 ( 0.903 1.130 2.927) 3.265 1.991 ( -10.051 0.989 10.883) 14.847 2.082 ( -5.758 0.663 -2.173) 6.190 2.273 ( 1.406 5.143 1.754) 5.613 2.411 ( 4.000 -0.152 -4.620) 6.113 2.438 ( 2.485 -4.230 -0.558) 4.938 2.531 ( 7.715 -2.281 1.037) 8.112 2.749 ( -5.385 -1.857 -1.720) 5.950 2.863 ( -0.406 4.034 2.328) 4.676 2.929 ( -2.044 -5.072 -1.466) 5.662 2.991 ( 1.601 -0.009 -2.119) 2.656 3.075 ( 2.662 0.435 1.151) 2.933 3.184 ( 3.301 1.015 -3.154) 4.677 3.301 ( -3.670 8.986 1.455) 9.815 3.317 ( 6.410 2.087 1.273) 6.861 3.365 ( 1.008 -0.924 -0.899) 1.636 3.440 ( -0.724 -1.053 -1.476) 1.952 3.488 ( -4.055 -3.786 2.184) 5.963 3.680 ( 3.384 1.885 -0.268) 3.882 3.684 ( 1.429 1.351 0.152) 1.972 3.733 ( -0.730 -4.744 0.292) 4.809 3.903 ( -4.562 -5.892 -0.595) 7.476 4.031 ( 5.010 -1.271 -3.936) 6.497 4.067 ( 1.885 2.803 0.727) 3.455 4.211 ( 3.848 -7.584 0.499) 8.519 4.340 ( -5.534 -1.460 2.561) 6.270 4.458 ( -0.128 -4.339 1.977) 4.769 4.581 ( 4.518 -0.484 1.449) 4.770 4.792 ( 3.626 -2.798 -6.091) 7.621 4.918 ( -1.541 -1.518 0.065) 2.164 4.989 ( 3.617 -0.619 0.631) 3.723 5.130 ( 0.237 -3.529 3.573) 5.028 5.230 ( -2.516 -1.622 -1.643) 3.415 5.380 ( -6.773 -1.846 -2.274) 7.379 5.463 ( -3.729 -2.050 0.469) 4.281 5.549 ( -2.271 0.342 5.124) 5.615 5.558 ( 5.538 -1.077 0.776) 5.695 5.778 ( -2.260 1.757 -1.835) 3.400 5.928 ( 5.815 -1.573 -1.165) 6.136 6.130 ( 0.371 1.500 1.111) 1.903 6.185 ( 4.809 4.071 -2.501) 6.779 6.340 ( -5.027 7.848 3.723) 10.036 6.447 ( -3.754 10.346 -1.178) 11.069 6.557 ( 1.973 2.924 -0.736) 3.603 6.706 ( 3.852 3.922 -1.199) 5.626 6.839 ( -2.605 0.661 -3.117) 4.115 6.923 ( 3.132 3.255 3.013) 5.430 7.293 ( -4.074 -0.047 1.609) 4.380 7.464 ( -3.734 0.597 2.960) 4.802 7.593 ( 9.775 0.801 -3.021) 10.262 7.768 ( 8.058 1.968 -4.325) 9.355 8.033 ( -4.354 11.883 -1.268) 12.719 8.240 ( 6.032 4.550 -0.804) 7.598 8.398 ( -9.621 -3.706 4.596) 11.288 8.524 ( -4.673 -3.359 -1.132) 5.866 8.640 ( -0.691 -3.254 0.239) 3.335 8.716 ( 3.018 -6.131 5.182) 8.576 9.266 ( -6.760 2.960 0.705) 7.414 9.429 ( 1.908 3.524 -5.884) 7.119 9.786 ( -2.887 -0.462 0.771) 3.024 9.976 ( 2.687 -3.981 -0.560) 4.836 10.224 ( -1.309 -2.843 1.424) 3.439 10.350 ( 1.941 1.258 -1.040) 2.536 10.542 ( 2.453 -2.285 1.380) 3.625 10.565 ( 2.985 -3.402 -0.715) 4.582 10.895 ( -1.966 6.370 2.440) 7.099 10.981 ( -0.201 6.409 -3.374) 7.245 11.122 ( -10.580 6.928 2.986) 12.994 11.248 ( -5.097 5.491 -1.726) 7.688 11.318 ( 1.154 0.908 -0.952) 1.749 11.454 ( 5.090 2.332 0.853) 5.664 11.899 ( -2.759 4.648 0.432) 5.422 11.924 ( -1.750 5.956 -0.411) 6.222 12.457 ( -1.803 -3.311 -0.014) 3.771 12.531 ( 1.254 -4.989 0.184) 5.147 12.755 ( -0.993 4.681 0.403) 4.802 12.885 ( 4.969 1.159 -0.589) 5.136 16.238 ( 2.276 -0.865 -1.735) 2.990 16.250 ( 3.212 0.647 1.760) 3.719 18.167 ( -4.319 -2.902 -0.203) 5.207 18.337 ( 5.511 -3.187 0.674) 6.402 18.593 ( -4.820 0.195 -0.388) 4.840 18.759 ( 3.947 2.798 -1.944) 5.214 19.016 ( -6.892 2.400 5.242) 8.985 19.234 ( 0.749 4.049 -3.683) 5.525 19.386 ( -2.426 -3.173 -0.976) 4.112 19.502 ( 0.174 -0.698 0.393) 0.820 19.812 ( 1.457 10.163 3.239) 10.766 19.891 ( 7.859 6.213 -2.425) 10.307 21.123 ( -14.884 -1.774 0.327) 14.993 21.481 ( 5.853 -2.461 0.508) 6.370 21.893 ( 1.549 1.137 -0.234) 1.936 21.912 ( 0.956 2.000 -2.084) 3.042 22.087 ( -0.590 -1.154 3.172) 3.426 22.127 ( -0.026 3.559 -1.849) 4.011 23.039 ( -0.216 -0.858 -0.976) 1.317 23.070 ( 0.083 -3.185 1.123) 3.378 23.225 ( 0.418 -4.918 1.067) 5.050 23.325 ( 2.821 -5.666 -0.975) 6.404 ======================= Grid point 156 (71/86) ======================= q-point: (-0.10 0.40 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -9.059 10.101 5.766) 14.743 1.491 ( -0.324 -0.484 -1.686) 1.783 1.587 ( 3.710 -0.933 -9.143) 9.911 1.831 ( 5.165 6.532 0.672) 8.354 1.912 ( -2.021 2.130 7.180) 7.758 2.116 ( 1.521 5.696 3.390) 6.800 2.154 ( -2.363 -4.221 -3.395) 5.909 2.426 ( 2.807 1.642 1.292) 3.499 2.499 ( 3.152 0.539 -3.959) 5.089 2.652 ( 6.189 -0.813 -0.526) 6.265 2.768 ( -4.807 -3.991 -0.128) 6.249 2.843 ( 1.204 0.021 -1.259) 1.742 2.903 ( 1.172 5.968 1.759) 6.332 3.034 ( -1.684 4.400 -1.698) 5.008 3.060 ( -1.466 -0.800 1.880) 2.514 3.079 ( 2.380 -2.549 -1.465) 3.782 3.251 ( -0.186 -1.284 3.695) 3.916 3.381 ( 2.548 0.036 0.231) 2.559 3.393 ( 2.023 -2.579 0.757) 3.364 3.444 ( 2.453 3.139 -2.519) 4.713 3.512 ( -1.427 0.964 -1.831) 2.514 3.594 ( -4.516 -2.906 -0.058) 5.371 3.676 ( -0.104 0.041 1.584) 1.588 3.875 ( 2.189 -2.665 -0.337) 3.465 3.951 ( -1.127 -2.019 1.800) 2.930 4.000 ( 0.777 2.915 0.235) 3.026 4.076 ( 1.979 -0.096 -5.319) 5.676 4.310 ( -4.687 -0.320 1.218) 4.853 4.421 ( 2.578 -8.794 1.131) 9.233 4.555 ( -0.928 -4.246 2.383) 4.957 4.612 ( 3.498 0.635 0.838) 3.653 4.849 ( 2.378 -1.506 -5.617) 6.282 4.918 ( -2.102 -1.043 -1.905) 3.023 5.033 ( -0.882 3.135 2.209) 3.935 5.042 ( -4.047 2.294 2.508) 5.285 5.319 ( -5.430 -5.019 -1.234) 7.496 5.373 ( 0.078 -4.405 -0.852) 4.487 5.447 ( 0.011 4.884 2.613) 5.539 5.502 ( -3.442 1.744 2.627) 4.668 5.630 ( 6.123 -1.277 0.401) 6.268 5.736 ( -2.810 -0.695 -2.080) 3.564 6.004 ( 4.625 -1.660 -0.714) 4.966 6.047 ( 3.533 2.512 0.586) 4.374 6.145 ( 0.806 9.103 0.140) 9.140 6.239 ( 0.864 1.116 -0.710) 1.580 6.284 ( 3.486 2.710 -0.543) 4.449 6.524 ( -1.035 -0.044 0.259) 1.068 6.707 ( 0.081 -0.585 -0.989) 1.152 6.801 ( 1.932 2.572 0.959) 3.357 6.890 ( 4.078 2.058 -0.082) 4.569 7.306 ( -2.304 -2.929 0.989) 3.856 7.450 ( -2.081 -0.966 1.347) 2.661 7.658 ( 8.056 -0.371 -4.136) 9.063 7.777 ( 0.941 1.632 -1.851) 2.641 7.845 ( 0.446 3.612 3.071) 4.762 8.230 ( 8.078 1.880 -6.679) 10.649 8.409 ( -11.360 -4.868 5.895) 13.693 8.531 ( -6.540 -2.342 -1.206) 7.051 8.682 ( -1.670 -1.793 0.408) 2.484 8.835 ( -0.426 -2.889 9.531) 9.968 9.164 ( -5.356 1.883 -1.309) 5.826 9.356 ( 2.587 3.617 -8.121) 9.259 9.773 ( -2.518 -0.280 0.952) 2.706 10.039 ( 2.254 0.674 0.458) 2.396 10.248 ( 1.587 0.005 0.446) 1.649 10.343 ( 1.974 1.088 -0.035) 2.254 10.631 ( 2.287 -4.363 0.457) 4.947 10.675 ( 3.601 -4.312 -0.275) 5.625 10.781 ( -1.286 4.240 1.842) 4.798 10.911 ( -1.857 -0.993 -1.597) 2.643 10.944 ( -5.368 3.861 -0.399) 6.624 11.067 ( -4.600 6.518 0.515) 7.995 11.332 ( -0.570 -1.457 -0.637) 1.689 11.481 ( 3.258 -1.076 0.528) 3.471 11.803 ( -1.410 3.048 -0.056) 3.358 11.857 ( 0.093 1.823 0.007) 1.826 12.472 ( -0.293 0.776 0.199) 0.853 12.571 ( 2.809 3.820 -0.319) 4.752 12.725 ( -4.157 -5.159 -0.125) 6.627 12.932 ( 2.865 -2.405 0.258) 3.750 16.251 ( 1.993 0.803 1.639) 2.702 16.286 ( 2.063 -2.009 -1.690) 3.339 18.182 ( -3.467 -1.188 -0.322) 3.679 18.437 ( 2.405 -1.091 2.995) 3.994 18.579 ( 0.910 -3.122 -4.092) 5.227 18.710 ( 0.566 5.032 -0.861) 5.136 18.947 ( -4.518 1.533 5.136) 7.010 19.199 ( 1.456 -2.071 -4.319) 5.007 19.378 ( -4.520 1.996 2.515) 5.545 19.454 ( -4.243 -0.378 -1.551) 4.533 19.683 ( 3.165 3.344 0.514) 4.633 19.988 ( 13.181 -2.521 0.097) 13.420 21.007 ( -12.942 2.673 -0.061) 13.215 21.541 ( 4.487 1.284 0.606) 4.706 21.879 ( -0.087 -0.697 -0.094) 0.708 21.935 ( 1.805 -2.645 -0.176) 3.207 22.050 ( -1.504 3.262 -1.798) 4.017 22.123 ( 1.051 -1.529 1.039) 2.126 23.026 ( -0.167 1.953 1.006) 2.203 23.116 ( 0.455 -1.209 -0.865) 1.554 23.294 ( -1.284 -2.454 1.303) 3.060 23.417 ( 0.458 -2.722 -1.040) 2.950 ======================= Grid point 162 (72/86) ======================= q-point: (-0.50 -0.50 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 1.865 0.000 0.232) 1.880 1.446 ( 2.004 0.000 -3.832) 4.325 1.800 ( 5.120 0.000 8.554) 9.969 1.871 ( -14.529 -0.000 1.403) 14.597 1.981 ( -5.420 -0.000 2.398) 5.927 2.024 ( 1.987 0.000 -0.850) 2.161 2.191 ( 8.974 0.000 -2.857) 9.418 2.266 ( 5.891 0.000 -9.634) 11.292 2.367 ( -3.761 -0.000 0.832) 3.852 2.372 ( 2.765 0.000 -0.153) 2.769 2.746 ( -15.793 -0.000 4.114) 16.320 2.864 ( 3.783 0.000 1.537) 4.083 2.876 ( 12.719 0.000 -6.650) 14.352 2.900 ( -2.089 -0.000 -1.309) 2.465 2.988 ( -1.755 -0.000 6.123) 6.370 3.113 ( 1.129 0.000 -4.914) 5.042 3.226 ( -7.653 -0.000 8.817) 11.674 3.386 ( 6.065 0.000 -4.781) 7.723 3.441 ( -8.527 -0.000 0.115) 8.527 3.498 ( 10.941 0.000 -4.949) 12.008 3.616 ( -2.328 -0.000 5.176) 5.675 3.702 ( 1.682 0.000 -2.483) 2.999 3.849 ( 9.555 0.000 2.249) 9.816 3.917 ( -12.017 -0.000 -3.304) 12.463 3.992 ( 1.607 0.000 3.459) 3.814 4.043 ( -4.891 -0.000 0.064) 4.891 4.161 ( -7.235 -0.000 5.270) 8.951 4.204 ( 4.931 0.000 2.283) 5.434 4.363 ( 8.743 0.000 3.205) 9.312 4.443 ( -2.341 -0.000 -4.666) 5.220 4.473 ( 0.223 0.000 -0.528) 0.573 4.555 ( -0.905 -0.000 -7.394) 7.450 4.748 ( -2.591 -0.000 1.625) 3.059 4.818 ( 2.368 0.000 -4.773) 5.328 5.014 ( -1.310 -0.000 0.344) 1.354 5.022 ( -0.246 -0.000 -0.177) 0.303 5.053 ( -1.403 -0.000 5.892) 6.056 5.187 ( 4.976 0.000 -5.762) 7.613 5.281 ( -2.909 -0.000 11.305) 11.673 5.504 ( -0.084 -0.000 -8.764) 8.764 5.744 ( -1.497 -0.000 3.581) 3.881 5.802 ( 3.021 0.000 -1.899) 3.568 6.041 ( -5.368 -0.000 4.850) 7.234 6.148 ( 5.074 0.000 -4.382) 6.705 6.667 ( 5.284 0.000 -0.842) 5.351 6.679 ( -3.056 -0.000 -1.717) 3.505 6.873 ( -5.231 -0.000 4.246) 6.737 6.921 ( -0.012 -0.000 -0.027) 0.029 7.173 ( 1.023 0.000 -2.167) 2.396 7.214 ( 4.018 0.000 -5.651) 6.934 7.485 ( 4.864 0.000 7.969) 9.336 7.653 ( -6.883 -0.000 -4.585) 8.270 7.728 ( -2.406 -0.000 3.939) 4.616 7.774 ( 0.939 0.000 -1.942) 2.157 8.212 ( -4.370 -0.000 1.572) 4.644 8.267 ( 3.663 0.000 -2.975) 4.719 8.341 ( 2.250 0.000 4.914) 5.405 8.436 ( 0.040 0.000 -3.491) 3.492 9.071 ( -0.933 -0.000 0.744) 1.194 9.086 ( 0.597 0.000 -0.684) 0.908 9.229 ( -0.327 -0.000 7.738) 7.745 9.401 ( 0.710 0.000 -6.980) 7.016 9.772 ( -1.263 -0.000 1.259) 1.784 9.818 ( 2.870 0.000 -3.143) 4.256 10.078 ( -7.667 -0.000 7.668) 10.844 10.260 ( 8.023 0.000 -9.051) 12.095 10.590 ( -3.533 -0.000 4.503) 5.723 10.646 ( 0.904 0.000 -0.973) 1.328 11.174 ( 4.800 0.000 1.712) 5.096 11.222 ( -7.321 -0.000 -2.515) 7.741 11.289 ( 9.090 0.000 0.516) 9.105 11.296 ( -5.750 -0.000 -0.204) 5.753 11.421 ( -0.746 -0.000 1.481) 1.658 11.453 ( 0.383 0.000 -1.292) 1.347 12.156 ( -0.447 -0.000 1.220) 1.300 12.185 ( 0.506 0.000 -1.250) 1.349 12.937 ( -4.101 -0.000 2.174) 4.641 12.974 ( 5.963 0.000 -0.317) 5.972 13.024 ( -2.568 -0.000 -1.017) 2.762 13.030 ( 0.781 0.000 -0.912) 1.201 16.143 ( 1.886 0.000 2.599) 3.211 16.199 ( -1.981 -0.000 -2.158) 2.930 18.290 ( -0.657 -0.000 0.265) 0.708 18.296 ( 0.699 0.000 -0.268) 0.749 18.709 ( -1.219 -0.000 0.531) 1.329 18.721 ( 1.242 0.000 -0.417) 1.310 18.902 ( -0.109 -0.000 0.663) 0.672 18.920 ( -0.015 -0.000 -0.872) 0.872 19.751 ( 1.330 0.000 1.917) 2.333 19.819 ( -2.587 -0.000 -4.701) 5.366 20.259 ( 1.848 0.000 16.763) 16.865 20.674 ( -1.240 -0.000 -21.219) 21.255 21.358 ( -4.209 -0.000 7.545) 8.639 21.528 ( 11.536 0.000 -4.311) 12.315 21.888 ( -3.754 -0.000 10.308) 10.970 22.149 ( -2.505 -0.000 -10.125) 10.430 22.215 ( -5.425 -0.000 8.903) 10.425 22.376 ( 7.539 0.000 -5.947) 9.602 22.505 ( -4.343 -0.000 0.852) 4.426 22.512 ( 2.144 0.000 0.046) 2.144 22.776 ( 0.238 0.000 0.751) 0.788 22.789 ( -0.205 -0.000 -0.429) 0.476 ======================= Grid point 163 (73/86) ======================= q-point: (-0.40 -0.50 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -6.010 0.450 3.937) 7.199 1.512 ( -4.342 0.366 0.062) 4.358 1.666 ( -1.203 0.420 -0.789) 1.499 1.801 ( -13.709 1.324 -1.038) 13.812 2.022 ( 5.686 -1.282 -1.242) 5.960 2.060 ( 2.785 -0.767 -1.828) 3.419 2.170 ( -0.905 0.893 0.432) 1.342 2.375 ( -1.905 -2.604 2.400) 4.021 2.410 ( 4.408 -6.214 -2.947) 8.169 2.442 ( 8.436 -2.427 -3.548) 9.468 2.657 ( -10.859 -1.888 3.290) 11.503 2.841 ( -7.866 -0.856 1.920) 8.142 2.866 ( -6.925 -0.369 0.329) 6.942 2.977 ( 0.274 -0.528 4.370) 4.411 3.029 ( 12.250 -1.093 -4.451) 13.079 3.103 ( -1.097 -0.474 -3.059) 3.284 3.198 ( -4.123 -1.887 7.944) 9.147 3.380 ( -1.963 1.716 -4.166) 4.915 3.397 ( 3.434 1.657 -5.090) 6.360 3.511 ( 5.363 3.997 -2.158) 7.028 3.596 ( 0.311 1.573 4.725) 4.990 3.683 ( -1.517 3.083 -2.371) 4.175 3.763 ( -8.971 3.398 1.610) 9.727 3.913 ( -1.004 1.549 2.156) 2.838 3.933 ( 3.412 4.150 -0.496) 5.395 4.032 ( 2.482 -1.276 -0.797) 2.903 4.104 ( -8.287 0.450 4.706) 9.541 4.226 ( 2.939 3.813 -1.981) 5.206 4.401 ( 5.106 1.377 3.249) 6.207 4.452 ( 0.573 1.437 -1.040) 1.864 4.469 ( 2.021 0.477 -1.649) 2.652 4.592 ( 3.863 -4.490 -3.115) 6.692 4.749 ( 3.430 -0.528 4.001) 5.297 4.857 ( 2.813 -1.237 -6.628) 7.306 5.018 ( 2.254 -0.400 0.119) 2.292 5.056 ( 4.563 -2.780 -0.544) 5.370 5.136 ( -1.642 -5.727 2.053) 6.301 5.171 ( 1.925 -2.002 3.302) 4.314 5.371 ( -2.854 -5.268 4.022) 7.216 5.493 ( 1.100 -0.432 -6.259) 6.369 5.757 ( 0.706 -1.262 2.089) 2.541 5.821 ( 2.029 -0.364 -1.279) 2.426 6.044 ( -4.277 -3.330 2.790) 6.096 6.181 ( 1.635 -0.865 -3.154) 3.657 6.632 ( -4.096 0.986 -1.742) 4.558 6.689 ( 2.494 1.263 -0.959) 2.956 6.836 ( -5.836 -0.124 3.887) 7.013 6.915 ( -2.445 -0.056 1.405) 2.821 7.135 ( 1.107 4.871 -2.344) 5.518 7.203 ( 4.795 3.842 -4.952) 7.892 7.542 ( 6.155 1.093 8.666) 10.685 7.608 ( -3.711 -0.659 -7.241) 8.163 7.641 ( -5.695 5.518 3.477) 8.659 7.778 ( 6.386 1.078 -1.637) 6.680 8.179 ( -3.207 0.520 3.167) 4.537 8.280 ( 2.030 -0.478 -1.621) 2.642 8.385 ( -2.413 -2.130 1.078) 3.395 8.464 ( 3.629 -2.458 -1.472) 4.624 8.957 ( 0.287 10.527 0.783) 10.560 8.975 ( 0.667 10.901 -1.384) 11.008 9.265 ( -1.658 -2.357 8.545) 9.018 9.429 ( 2.442 -2.330 -8.157) 8.828 9.772 ( -0.818 -0.244 0.922) 1.256 9.847 ( 2.819 -0.983 -3.130) 4.326 10.047 ( -8.023 -1.769 6.796) 10.662 10.304 ( 6.589 -0.706 -7.941) 10.342 10.549 ( -3.899 2.103 4.895) 6.602 10.633 ( 0.846 1.755 -0.656) 2.056 11.136 ( -7.791 0.577 -1.360) 7.930 11.212 ( 4.735 0.398 1.784) 5.076 11.299 ( -5.613 -3.074 -1.371) 6.545 11.379 ( 0.195 -1.939 0.781) 2.100 11.392 ( 0.763 2.457 0.111) 2.575 11.444 ( 2.224 -0.597 -0.293) 2.321 12.188 ( 0.246 -2.771 0.922) 2.930 12.220 ( 1.333 -3.084 -1.018) 3.510 12.746 ( -7.472 14.151 0.816) 16.023 12.830 ( 0.070 15.350 -0.263) 15.353 12.995 ( 0.530 1.464 0.778) 1.741 13.050 ( 3.545 1.893 -1.401) 4.256 16.173 ( 3.205 0.110 1.862) 3.709 16.219 ( 5.126 -1.304 -1.485) 5.494 18.229 ( -5.161 3.547 -0.008) 6.262 18.274 ( 0.288 1.337 -0.034) 1.368 18.659 ( -11.585 -0.173 0.258) 11.589 18.846 ( 11.279 -5.087 -0.158) 12.375 18.942 ( 2.010 -2.578 1.949) 3.806 18.966 ( 0.802 -5.678 -2.077) 6.099 19.650 ( 1.585 10.515 3.520) 11.201 19.714 ( -0.005 8.235 -5.262) 9.772 20.280 ( -0.006 3.195 16.442) 16.749 20.565 ( -3.133 4.677 -18.783) 19.608 21.317 ( -8.636 1.787 3.585) 9.520 21.503 ( 4.802 7.937 -2.229) 9.541 21.846 ( -5.298 0.752 5.661) 7.790 22.026 ( 2.505 5.149 -5.207) 7.740 22.200 ( -3.592 0.741 6.000) 7.033 22.374 ( 4.194 4.444 -4.242) 7.439 22.629 ( 0.670 -13.490 1.339) 13.573 22.673 ( 1.663 -10.716 -0.647) 10.864 22.818 ( -0.316 -3.459 0.134) 3.476 22.856 ( 2.639 -6.068 -0.133) 6.618 ======================= Grid point 164 (74/86) ======================= q-point: (-0.30 -0.50 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -11.255 1.387 4.759) 12.298 1.404 ( -10.016 -3.247 4.014) 11.269 1.646 ( -9.891 2.205 -4.816) 11.220 1.809 ( 3.365 -7.713 -5.580) 10.097 2.027 ( 2.612 3.641 -3.717) 5.821 2.080 ( 0.064 -1.995 -4.065) 4.529 2.193 ( -2.336 -3.396 4.132) 5.837 2.399 ( -3.258 1.239 0.720) 3.559 2.430 ( -4.398 0.425 8.406) 9.497 2.576 ( 5.904 -3.089 -3.962) 7.752 2.667 ( -5.306 -3.081 5.008) 7.920 2.814 ( 1.314 -2.798 -3.480) 4.655 2.856 ( -6.015 -2.943 1.648) 6.896 3.008 ( -0.693 -2.670 3.411) 4.387 3.088 ( -3.948 0.098 -2.498) 4.673 3.101 ( 3.599 -0.565 -2.604) 4.478 3.258 ( -0.269 -0.680 1.215) 1.418 3.323 ( -2.095 -1.865 -0.985) 2.973 3.403 ( 1.491 -0.975 -4.481) 4.822 3.457 ( 2.004 2.144 -1.072) 3.124 3.605 ( 1.800 0.430 0.613) 1.949 3.611 ( -3.873 6.102 5.191) 8.899 3.629 ( 1.228 1.049 -2.601) 3.061 3.846 ( -4.181 1.884 1.635) 4.868 3.906 ( 8.534 4.291 -0.640) 9.573 3.985 ( -2.205 3.939 -0.900) 4.603 4.145 ( 7.689 2.151 -1.076) 8.057 4.179 ( -5.051 -3.474 1.328) 6.273 4.316 ( 1.767 5.452 0.459) 5.750 4.404 ( -1.553 2.275 2.675) 3.839 4.544 ( 7.304 -2.062 -1.527) 7.742 4.715 ( 4.173 -3.551 -3.767) 6.649 4.811 ( 5.772 -0.794 5.131) 7.764 4.912 ( 3.043 -3.724 -4.888) 6.857 5.031 ( 1.182 0.078 3.487) 3.683 5.136 ( 5.369 -1.813 -2.198) 6.078 5.257 ( -0.189 -6.652 3.509) 7.523 5.314 ( -1.084 -5.377 -1.584) 5.709 5.405 ( -2.860 -4.726 0.172) 5.527 5.521 ( 0.035 -1.417 0.904) 1.682 5.812 ( 2.813 -1.845 -0.869) 3.475 5.849 ( 2.768 -1.161 0.111) 3.004 6.097 ( -3.568 -4.530 -0.301) 5.774 6.176 ( -0.869 0.784 -0.628) 1.328 6.574 ( -4.712 1.182 -2.347) 5.395 6.650 ( -1.627 2.815 1.635) 3.640 6.813 ( -3.517 -0.628 -0.210) 3.579 6.861 ( -5.184 4.984 5.218) 8.885 7.014 ( 3.724 7.442 -2.992) 8.843 7.111 ( 5.410 8.755 -3.580) 10.896 7.442 ( -6.390 6.774 0.936) 9.360 7.557 ( 1.957 3.136 3.915) 5.385 7.632 ( 3.209 -0.788 -2.523) 4.157 7.817 ( 8.821 1.074 -3.844) 9.682 8.168 ( -3.821 -1.837 4.943) 6.512 8.333 ( 0.024 -3.907 -3.024) 4.940 8.401 ( -5.149 -2.779 1.527) 6.048 8.546 ( 4.419 -2.498 0.742) 5.130 8.701 ( 1.313 15.456 0.596) 15.523 8.745 ( 2.155 12.855 -1.153) 13.085 9.300 ( -6.142 -1.683 7.467) 9.814 9.468 ( 2.769 -1.246 -8.906) 9.410 9.780 ( 1.180 -0.543 0.795) 1.523 9.855 ( -2.273 -0.310 -1.447) 2.712 10.067 ( -3.188 -3.827 3.845) 6.292 10.359 ( 5.239 -1.567 -5.371) 7.665 10.488 ( -2.815 1.828 3.645) 4.955 10.597 ( 1.275 2.391 0.413) 2.741 11.077 ( -6.883 -0.014 -1.148) 6.979 11.219 ( 1.872 5.234 1.962) 5.894 11.254 ( -4.731 -0.030 -3.256) 5.743 11.301 ( -4.949 2.609 2.018) 5.947 11.430 ( 0.728 -1.053 -0.110) 1.285 11.509 ( 3.532 -1.679 0.187) 3.915 12.252 ( -0.566 -2.021 -0.130) 2.102 12.305 ( 1.701 -1.912 -0.450) 2.598 12.355 ( -9.082 13.790 0.966) 16.540 12.461 ( -4.858 18.854 -0.100) 19.470 12.971 ( 3.865 3.595 1.872) 5.600 13.007 ( 3.579 4.463 -2.324) 6.175 16.205 ( 3.946 -0.318 -0.050) 3.959 16.288 ( 8.057 0.312 0.260) 8.067 18.120 ( -6.885 1.628 -0.077) 7.076 18.272 ( 1.616 -0.475 0.044) 1.685 18.573 ( -12.352 -1.178 0.520) 12.419 18.907 ( 6.984 3.664 -1.548) 8.037 19.010 ( -1.718 -2.773 1.565) 3.618 19.221 ( 10.109 -12.479 -0.791) 16.079 19.460 ( 1.904 9.737 2.113) 10.144 19.529 ( 2.351 9.991 -2.485) 10.561 20.190 ( -2.486 8.638 13.920) 16.570 20.353 ( -4.473 10.368 -15.310) 19.023 21.131 ( -15.820 5.293 0.879) 16.705 21.424 ( 1.712 1.564 1.664) 2.855 21.852 ( -2.457 -3.058 -0.887) 4.022 21.988 ( 3.729 1.326 -0.995) 4.081 22.141 ( -2.985 3.654 2.135) 5.179 22.303 ( 3.210 5.063 -0.932) 6.067 22.855 ( -1.259 -8.235 -0.856) 8.374 22.896 ( -0.365 -6.835 0.727) 6.883 22.937 ( 7.030 -10.309 0.441) 12.486 23.031 ( 4.507 -8.683 -0.109) 9.784 ======================= Grid point 165 (75/86) ======================= q-point: (-0.20 -0.50 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.860 -4.298 -5.273) 11.170 1.443 ( -8.255 -4.624 2.020) 9.675 1.589 ( -4.811 -4.846 -1.097) 6.916 1.909 ( -3.200 4.876 1.187) 5.952 1.929 ( -4.062 -3.237 1.311) 5.357 2.075 ( -9.291 0.937 0.123) 9.338 2.270 ( -0.763 -2.253 4.848) 5.400 2.338 ( 3.247 -2.784 -2.522) 4.965 2.467 ( 6.172 -1.727 -2.217) 6.782 2.600 ( 0.319 3.013 3.363) 4.526 2.679 ( -7.819 -3.483 2.494) 8.915 2.852 ( -3.124 0.025 -1.594) 3.507 2.907 ( 7.479 -1.177 -3.512) 8.346 3.010 ( -5.517 1.949 -1.856) 6.138 3.111 ( 0.817 -6.995 -0.254) 7.047 3.116 ( 3.072 0.448 0.345) 3.123 3.276 ( -2.890 -2.854 2.299) 4.667 3.310 ( -9.812 -2.494 1.981) 10.316 3.409 ( 1.680 2.872 -3.736) 5.003 3.485 ( 4.879 2.615 -1.098) 5.643 3.550 ( 3.359 4.477 -1.683) 5.845 3.575 ( 1.564 -4.194 1.947) 4.882 3.679 ( 1.067 -3.255 -1.155) 3.614 3.770 ( -6.199 2.033 1.976) 6.817 3.867 ( 9.383 3.888 -1.007) 10.207 4.004 ( -0.219 -3.772 -0.730) 3.848 4.090 ( 2.061 1.272 1.807) 3.022 4.251 ( 0.187 2.799 4.337) 5.165 4.259 ( 3.233 -0.774 -1.505) 3.649 4.406 ( 3.624 -1.469 -0.891) 4.010 4.631 ( 6.879 -1.237 -0.479) 7.006 4.772 ( 3.447 -1.318 -4.770) 6.031 4.881 ( 1.147 -1.611 3.606) 4.113 5.002 ( 5.802 -2.924 -2.763) 7.060 5.065 ( 1.584 -2.085 3.145) 4.092 5.199 ( 0.954 -1.388 -1.783) 2.452 5.276 ( -10.314 -0.552 -1.314) 10.412 5.386 ( 0.249 -4.895 2.594) 5.546 5.526 ( -3.443 -1.849 2.065) 4.420 5.549 ( 5.343 -3.731 1.145) 6.616 5.811 ( 0.060 2.390 -0.740) 2.503 5.927 ( 4.792 -2.542 -1.561) 5.644 6.123 ( -2.869 -1.268 0.784) 3.233 6.188 ( -1.017 -3.099 -1.429) 3.561 6.471 ( -6.018 5.929 -1.143) 8.525 6.565 ( -3.125 7.532 3.598) 8.913 6.663 ( -1.966 6.856 2.210) 7.467 6.793 ( -4.801 0.056 -2.384) 5.361 6.899 ( 5.907 9.345 -4.759) 12.037 7.002 ( 0.883 3.418 1.671) 3.905 7.314 ( -1.253 3.383 0.642) 3.664 7.498 ( 0.298 3.805 2.251) 4.430 7.667 ( 5.683 0.341 -2.280) 6.132 7.850 ( 7.559 1.562 -3.712) 8.565 8.192 ( -6.868 -0.083 3.016) 7.501 8.265 ( -4.321 7.288 -2.928) 8.964 8.403 ( -4.834 0.060 3.014) 5.697 8.507 ( 4.303 7.294 -1.318) 8.571 8.595 ( 2.788 1.058 0.695) 3.062 8.654 ( 5.096 -4.627 3.176) 7.580 9.253 ( -9.130 1.235 4.823) 10.399 9.464 ( 0.339 1.255 -8.294) 8.395 9.782 ( -0.598 1.138 0.114) 1.291 9.885 ( -0.878 -5.226 0.372) 5.312 10.146 ( 0.574 -4.457 1.207) 4.653 10.386 ( 0.998 1.234 -0.486) 1.660 10.494 ( 2.404 -3.007 -0.829) 3.938 10.584 ( 2.680 0.684 1.920) 3.367 10.985 ( -4.892 4.705 -1.331) 6.917 11.089 ( -2.361 5.398 -0.632) 5.925 11.174 ( -9.103 5.717 3.827) 11.410 11.246 ( -1.467 0.587 -1.921) 2.488 11.400 ( -0.101 4.566 -0.725) 4.624 11.537 ( 2.989 1.540 0.418) 3.388 11.979 ( -7.312 9.189 -0.011) 11.743 12.084 ( -5.468 13.653 0.022) 14.707 12.358 ( -0.961 -4.998 -0.136) 5.091 12.423 ( 0.041 -5.690 0.310) 5.699 12.892 ( 3.115 7.327 0.196) 7.964 12.970 ( 5.182 2.967 -0.463) 5.989 16.242 ( 3.878 -0.349 -1.260) 4.093 16.319 ( 5.610 2.283 1.319) 6.198 18.082 ( -4.226 -2.290 -0.215) 4.811 18.321 ( 3.169 -2.650 0.343) 4.146 18.522 ( -8.973 -2.384 0.252) 9.288 18.867 ( 5.749 5.025 -1.750) 7.833 18.995 ( -5.632 1.221 1.392) 5.928 19.352 ( 2.777 3.802 2.488) 5.325 19.372 ( 0.079 5.621 -3.077) 6.408 19.488 ( 7.328 -3.705 1.268) 8.309 20.021 ( -0.692 9.347 8.282) 12.508 20.069 ( -1.484 10.254 -9.886) 14.320 20.961 ( -16.714 -1.201 0.730) 16.773 21.458 ( 1.599 -2.833 0.901) 3.375 21.887 ( -0.176 -1.807 -2.174) 2.832 21.994 ( 3.723 3.289 -0.202) 4.972 22.062 ( -3.212 0.150 2.330) 3.971 22.220 ( 1.837 5.589 -0.973) 5.963 22.966 ( -2.526 -5.537 2.224) 6.480 23.003 ( 1.257 -4.094 -2.180) 4.806 23.150 ( 5.591 -5.915 0.179) 8.141 23.232 ( 5.371 -7.273 0.022) 9.041 ======================= Grid point 166 (76/86) ======================= q-point: (-0.10 -0.50 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.837 -7.860 -9.862) 13.507 1.450 ( -3.619 -0.238 3.034) 4.728 1.620 ( -1.619 2.947 -1.298) 3.605 1.821 ( -10.993 -4.798 9.792) 15.484 1.962 ( 0.155 0.393 3.666) 3.690 2.003 ( -2.077 -3.032 -4.215) 5.592 2.258 ( -4.352 2.892 1.370) 5.402 2.452 ( 2.985 -1.450 -1.735) 3.745 2.501 ( 4.786 0.727 -0.639) 4.882 2.629 ( 2.878 -5.042 -0.765) 5.856 2.702 ( 0.946 -1.493 -0.400) 1.812 2.825 ( -5.039 -3.943 -0.765) 6.444 2.907 ( -0.027 3.467 -2.672) 4.377 2.997 ( 1.202 -2.296 1.114) 2.821 3.118 ( 0.255 3.352 0.752) 3.445 3.196 ( -1.166 -0.626 1.332) 1.878 3.243 ( -1.173 6.923 -0.910) 7.081 3.328 ( -6.660 -4.289 2.122) 8.201 3.382 ( 1.795 -5.148 -0.948) 5.534 3.431 ( -2.526 1.126 3.063) 4.127 3.527 ( 9.466 1.664 -3.370) 10.184 3.636 ( -2.498 5.837 -1.888) 6.624 3.709 ( 0.066 -1.087 2.087) 2.355 3.777 ( 1.417 -6.204 0.687) 6.400 3.913 ( 5.320 -1.372 -2.103) 5.883 4.024 ( -3.664 -0.528 -0.023) 3.701 4.128 ( 4.914 2.101 -2.232) 5.791 4.255 ( -0.953 -2.190 4.971) 5.515 4.302 ( 3.823 -4.356 -1.399) 5.962 4.490 ( 4.700 -3.428 0.553) 5.844 4.676 ( 3.733 1.201 -0.173) 3.926 4.817 ( 2.615 -1.762 -4.411) 5.422 4.896 ( -0.740 0.464 1.665) 1.880 5.079 ( 0.430 2.265 1.605) 2.809 5.112 ( -0.917 3.289 -1.144) 3.601 5.170 ( -0.295 -5.382 -0.215) 5.394 5.258 ( -4.215 -4.839 -0.379) 6.429 5.464 ( 0.839 -2.260 1.100) 2.650 5.521 ( -3.490 0.095 4.292) 5.533 5.650 ( 4.840 -1.640 0.289) 5.118 5.745 ( -0.829 3.019 -1.579) 3.506 5.997 ( 3.416 -1.888 -0.798) 3.983 6.110 ( -3.679 2.214 0.694) 4.350 6.219 ( -3.841 -1.358 -1.558) 4.362 6.276 ( -1.120 5.200 0.706) 5.366 6.383 ( -3.540 7.131 0.809) 8.003 6.596 ( 2.549 5.400 -1.313) 6.114 6.708 ( -2.192 2.271 -1.775) 3.621 6.820 ( 0.432 0.423 -0.961) 1.135 6.960 ( -0.230 2.301 2.010) 3.064 7.288 ( 3.258 0.804 -0.270) 3.366 7.446 ( -0.535 1.956 2.365) 3.115 7.696 ( 2.576 -0.010 -1.399) 2.931 7.845 ( 2.653 3.486 -3.187) 5.417 7.968 ( -1.072 8.696 -3.294) 9.360 8.243 ( -11.572 -2.930 5.292) 13.058 8.342 ( 6.254 3.509 0.799) 7.215 8.470 ( 1.157 0.035 -3.752) 3.927 8.638 ( 0.092 -2.037 1.123) 2.328 8.796 ( 3.441 -4.175 7.262) 9.056 9.158 ( -6.973 2.050 2.213) 7.597 9.399 ( -0.795 2.473 -8.604) 8.988 9.763 ( -0.415 0.172 -0.183) 0.485 9.995 ( -0.101 -5.352 0.653) 5.392 10.228 ( 0.413 -2.917 0.754) 3.041 10.372 ( 1.297 0.520 -0.552) 1.502 10.594 ( 3.736 -3.386 1.178) 5.177 10.624 ( 3.932 -2.483 0.280) 4.658 10.862 ( -1.635 3.595 -1.738) 4.314 10.948 ( -9.159 9.226 5.118) 13.972 10.988 ( -1.089 3.674 -2.181) 4.409 11.150 ( -6.182 6.057 -1.586) 8.799 11.329 ( 0.970 1.615 -0.769) 2.035 11.518 ( 2.403 2.053 0.785) 3.256 11.848 ( -3.843 3.374 0.543) 5.143 11.881 ( -3.023 2.833 -0.499) 4.173 12.436 ( -0.682 -3.590 -0.144) 3.657 12.530 ( -1.450 -5.887 0.194) 6.066 12.768 ( 2.547 7.574 -0.498) 8.006 12.960 ( 4.014 1.971 0.434) 4.493 16.273 ( 2.651 -0.600 -1.666) 3.188 16.303 ( 1.860 2.507 1.622) 3.518 18.121 ( -1.025 -3.186 -0.365) 3.367 18.421 ( 3.986 -3.999 2.116) 6.030 18.516 ( -3.590 -2.289 -1.899) 4.662 18.797 ( 0.911 5.215 -1.224) 5.434 18.935 ( -3.620 0.051 1.471) 3.908 19.239 ( -0.246 5.540 1.018) 5.638 19.363 ( 0.481 -0.289 -0.433) 0.709 19.474 ( -2.912 3.964 -0.574) 4.952 19.804 ( -2.171 8.391 -0.223) 8.670 20.057 ( 10.207 -0.231 -0.088) 10.210 20.897 ( -11.989 -3.338 0.209) 12.446 21.536 ( 0.869 -3.374 0.759) 3.566 21.914 ( 0.928 0.347 -1.725) 1.989 21.923 ( 1.438 2.472 -0.009) 2.860 22.093 ( -0.060 -2.151 2.155) 3.045 22.118 ( -0.296 5.083 -1.490) 5.305 23.032 ( -0.589 -1.954 -0.172) 2.047 23.067 ( -0.635 -2.870 0.906) 3.076 23.260 ( 3.410 -2.174 -0.261) 4.053 23.371 ( 3.265 -3.469 -0.195) 4.768 ======================= Grid point 173 (77/86) ======================= q-point: (-0.40 -0.40 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -12.494 -0.000 2.342) 12.712 1.437 ( -0.908 -0.000 -5.806) 5.876 1.644 ( -10.378 -0.000 -4.783) 11.427 1.659 ( -20.789 -0.000 8.732) 22.548 2.024 ( -0.697 -0.000 -1.359) 1.527 2.059 ( 4.605 0.000 5.814) 7.417 2.303 ( 4.693 0.000 -3.504) 5.857 2.305 ( 3.100 0.000 -0.620) 3.162 2.331 ( -3.019 -0.000 1.945) 3.591 2.480 ( 7.727 0.000 -4.095) 8.745 2.572 ( -1.031 -0.000 -6.855) 6.932 2.740 ( -14.506 -0.000 3.162) 14.846 2.821 ( -5.244 -0.000 -0.017) 5.244 2.958 ( -5.897 -0.000 6.630) 8.873 3.062 ( -5.739 -0.000 -2.725) 6.354 3.104 ( 4.329 0.000 -0.882) 4.418 3.170 ( 2.948 0.000 7.289) 7.862 3.375 ( -0.008 -0.000 -6.950) 6.950 3.450 ( 2.502 0.000 -2.923) 3.848 3.560 ( 0.415 0.000 -1.856) 1.902 3.613 ( -4.917 -0.000 0.502) 4.943 3.678 ( -4.378 -0.000 3.217) 5.432 3.823 ( -3.697 -0.000 -0.332) 3.712 3.844 ( 6.409 0.000 0.823) 6.462 4.010 ( -1.628 -0.000 3.614) 3.964 4.025 ( 4.621 0.000 0.271) 4.629 4.074 ( -6.738 -0.000 2.200) 7.088 4.311 ( 6.489 0.000 1.028) 6.570 4.444 ( 6.186 0.000 -8.090) 10.184 4.458 ( -1.316 -0.000 4.097) 4.304 4.566 ( 3.243 0.000 -1.845) 3.731 4.573 ( 11.113 0.000 0.433) 11.121 4.745 ( 2.163 0.000 1.142) 2.445 4.899 ( 9.296 0.000 -5.804) 10.959 5.020 ( 1.184 0.000 0.740) 1.396 5.044 ( 3.812 0.000 2.081) 4.343 5.085 ( 3.098 0.000 1.082) 3.282 5.209 ( 0.105 0.000 -3.221) 3.223 5.305 ( -0.317 -0.000 11.965) 11.970 5.492 ( 4.139 0.000 -8.666) 9.604 5.755 ( 1.264 0.000 0.787) 1.489 5.815 ( -2.001 -0.000 -0.119) 2.004 5.995 ( -0.880 -0.000 1.680) 1.897 6.163 ( -1.264 -0.000 -1.814) 2.211 6.593 ( -5.890 -0.000 -2.533) 6.412 6.712 ( -2.500 -0.000 2.675) 3.662 6.803 ( -2.555 -0.000 1.026) 2.753 6.880 ( -5.138 -0.000 0.873) 5.212 7.185 ( 1.963 0.000 -3.907) 4.372 7.260 ( 4.524 0.000 -5.878) 7.418 7.550 ( -2.196 -0.000 -5.225) 5.668 7.619 ( 2.865 0.000 8.916) 9.365 7.712 ( 0.562 0.000 6.199) 6.224 7.798 ( 2.358 0.000 -2.250) 3.259 8.166 ( -1.663 -0.000 2.065) 2.652 8.298 ( 1.259 0.000 -1.627) 2.057 8.403 ( 3.201 0.000 2.049) 3.801 8.428 ( 1.487 0.000 -3.498) 3.801 9.049 ( -2.497 -0.000 0.449) 2.537 9.093 ( -0.673 -0.000 0.982) 1.190 9.255 ( -0.305 -0.000 6.151) 6.158 9.415 ( 5.696 0.000 -8.816) 10.496 9.778 ( 1.799 0.000 1.282) 2.209 9.843 ( 1.082 0.000 -2.276) 2.520 9.983 ( -6.785 -0.000 5.950) 9.024 10.324 ( 5.041 0.000 -8.550) 9.926 10.557 ( -3.113 -0.000 6.166) 6.907 10.646 ( -0.762 -0.000 -0.072) 0.765 11.097 ( -7.263 -0.000 0.160) 7.265 11.159 ( -8.413 -0.000 -2.238) 8.706 11.287 ( 6.461 0.000 2.139) 6.806 11.347 ( -3.631 -0.000 -0.576) 3.676 11.438 ( 4.098 0.000 1.862) 4.502 11.439 ( -1.719 -0.000 -2.103) 2.716 12.172 ( 1.730 0.000 0.705) 1.868 12.196 ( 1.398 0.000 -0.885) 1.655 12.827 ( -9.897 -0.000 0.913) 9.940 12.966 ( -4.309 -0.000 -0.139) 4.311 13.059 ( 2.600 0.000 0.315) 2.619 13.066 ( 5.572 0.000 -1.231) 5.706 16.227 ( 6.459 0.000 -3.827) 7.508 16.258 ( 10.747 0.000 4.459) 11.635 18.238 ( -5.435 -0.000 0.235) 5.440 18.255 ( -5.773 -0.000 -0.301) 5.781 18.652 ( -5.481 -0.000 1.002) 5.572 18.712 ( -1.659 -0.000 -0.982) 1.928 18.958 ( 6.010 0.000 1.243) 6.137 18.978 ( 6.921 0.000 -1.130) 7.012 19.787 ( 0.914 0.000 -2.990) 3.126 19.803 ( 3.390 0.000 3.238) 4.688 20.335 ( -2.138 -0.000 16.265) 16.405 20.527 ( -5.071 -0.000 -20.016) 20.648 21.259 ( -11.798 -0.000 3.961) 12.446 21.608 ( 4.118 0.000 -14.627) 15.196 21.913 ( -2.003 -0.000 19.049) 19.154 22.061 ( -2.417 -0.000 -7.753) 8.121 22.173 ( -4.252 -0.000 6.872) 8.080 22.460 ( 0.687 0.000 -0.543) 0.876 22.472 ( 5.337 0.000 -5.773) 7.862 22.558 ( 3.099 0.000 1.855) 3.611 22.797 ( 1.427 0.000 -0.432) 1.491 22.803 ( 2.801 0.000 0.678) 2.882 ======================= Grid point 174 (78/86) ======================= q-point: (-0.30 -0.40 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -15.486 -0.138 5.043) 16.287 1.350 ( -12.438 4.570 -1.152) 13.301 1.513 ( -21.479 -0.941 3.880) 21.846 1.646 ( -1.792 -8.295 -8.093) 11.726 2.001 ( -4.041 -0.234 -4.168) 5.810 2.114 ( -4.279 -2.533 5.184) 7.183 2.217 ( 6.983 5.319 -1.233) 8.864 2.336 ( -5.327 -3.698 1.612) 6.682 2.404 ( -0.916 -0.290 0.804) 1.253 2.533 ( -1.159 -2.006 -2.395) 3.332 2.586 ( -3.746 -2.997 -1.071) 4.916 2.719 ( -1.730 -7.403 -3.345) 8.305 2.750 ( -5.456 1.276 2.408) 6.099 2.972 ( -2.382 -3.126 3.329) 5.151 3.002 ( -9.244 -0.768 -0.324) 9.281 3.103 ( -0.090 0.344 2.800) 2.822 3.257 ( 4.195 -2.914 0.866) 5.181 3.319 ( -3.540 3.619 -4.011) 6.459 3.404 ( -2.113 2.609 1.185) 3.560 3.562 ( 4.679 1.562 -3.356) 5.967 3.572 ( 0.357 -0.383 -2.469) 2.524 3.670 ( 5.290 2.473 2.365) 6.300 3.728 ( -7.001 4.012 0.101) 8.070 3.899 ( 4.587 3.577 -0.543) 5.842 3.977 ( -3.809 0.639 6.058) 7.184 4.046 ( 6.236 -0.054 -0.996) 6.316 4.071 ( 1.842 -0.410 -0.834) 2.063 4.306 ( 6.443 5.250 -1.673) 8.478 4.439 ( -1.493 3.789 6.543) 7.707 4.456 ( 0.658 2.959 -0.178) 3.036 4.548 ( 8.427 -2.066 -4.483) 9.766 4.687 ( 8.319 -1.753 -2.569) 8.882 4.855 ( 5.747 -4.728 0.725) 7.477 4.911 ( 6.681 2.390 -3.247) 7.804 5.051 ( -0.186 -1.059 0.577) 1.220 5.116 ( 1.151 -1.854 0.508) 2.241 5.169 ( 6.360 -4.793 1.917) 8.192 5.258 ( 7.341 -4.413 0.572) 8.585 5.311 ( -3.211 0.371 4.306) 5.384 5.515 ( 2.265 -0.018 -3.797) 4.421 5.786 ( 2.739 -2.399 -1.233) 3.844 5.827 ( -1.684 -2.637 0.824) 3.235 6.012 ( -0.102 -1.324 -0.028) 1.328 6.160 ( -2.186 -1.115 -0.519) 2.508 6.538 ( -5.433 0.228 -2.896) 6.161 6.663 ( -7.091 1.073 4.497) 8.465 6.785 ( -2.109 0.522 -1.240) 2.501 6.852 ( -6.077 -0.846 2.095) 6.484 7.144 ( 2.160 4.432 -4.811) 6.889 7.263 ( 4.733 2.808 -4.633) 7.194 7.522 ( -6.221 6.039 0.421) 8.681 7.576 ( -2.375 -1.422 -1.520) 3.158 7.696 ( 7.208 4.038 7.082) 10.882 7.877 ( 6.593 -2.557 -0.227) 7.075 8.166 ( 0.565 0.782 2.395) 2.582 8.297 ( 1.004 0.833 -2.094) 2.467 8.342 ( -2.363 1.161 0.791) 2.749 8.526 ( 4.236 -3.493 -1.017) 5.584 8.952 ( -1.846 7.457 0.534) 7.701 8.986 ( 0.675 10.543 -0.437) 10.573 9.245 ( -5.207 0.449 7.294) 8.973 9.456 ( 5.602 -0.774 -10.812) 12.201 9.787 ( 1.680 0.497 1.034) 2.035 9.841 ( -2.716 0.546 1.770) 3.287 9.995 ( 0.617 -3.167 2.410) 4.027 10.352 ( 3.871 -1.299 -7.156) 8.239 10.520 ( -2.575 2.446 5.594) 6.627 10.638 ( -0.067 0.728 0.771) 1.062 11.004 ( -8.219 0.424 -0.028) 8.230 11.170 ( -5.361 -4.225 -2.416) 7.241 11.289 ( -7.053 2.221 0.786) 7.436 11.336 ( 5.441 1.269 3.314) 6.496 11.399 ( -2.370 0.174 -3.283) 4.053 11.500 ( 3.800 -2.230 0.847) 4.486 12.202 ( 1.237 -1.757 -0.157) 2.154 12.243 ( 1.526 -3.306 -0.109) 3.642 12.593 ( -11.577 14.268 0.714) 18.388 12.760 ( -8.363 15.931 0.164) 17.994 13.047 ( 5.283 1.220 -0.488) 5.444 13.112 ( 4.245 2.224 -0.521) 4.820 16.260 ( 7.777 1.308 -2.566) 8.294 16.377 ( 13.236 0.077 3.201) 13.618 18.120 ( -8.105 4.279 -0.060) 9.166 18.239 ( -4.336 -2.031 0.041) 4.788 18.474 ( -11.983 3.297 0.238) 12.430 18.943 ( 0.844 -9.227 -0.524) 9.281 19.020 ( 7.670 0.308 -0.037) 7.677 19.057 ( 11.211 -7.180 0.500) 13.323 19.680 ( 2.452 10.339 -1.494) 10.730 19.747 ( 3.336 8.702 2.797) 9.730 20.313 ( -4.946 3.729 14.671) 15.925 20.403 ( -6.324 3.934 -18.141) 19.610 21.117 ( -16.906 4.865 -0.154) 17.593 21.514 ( -1.705 8.289 -4.765) 9.712 21.784 ( -5.010 1.275 5.453) 7.514 22.044 ( 0.562 2.567 -1.541) 3.046 22.191 ( 0.622 0.610 3.143) 3.261 22.412 ( 1.715 4.081 -0.584) 4.465 22.675 ( 4.199 -11.335 -3.305) 12.531 22.721 ( 4.231 -12.086 4.529) 13.582 22.831 ( 3.109 -4.192 -2.097) 5.625 22.917 ( 4.590 -6.842 0.882) 8.286 ======================= Grid point 175 (79/86) ======================= q-point: (-0.20 -0.40 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -15.564 0.269 -0.708) 15.582 1.242 ( -11.855 -5.395 2.057) 13.186 1.413 ( -15.960 -5.184 1.025) 16.812 1.785 ( -4.093 -8.383 -2.574) 9.677 1.957 ( -8.582 -1.915 -5.310) 10.272 2.045 ( -6.274 7.888 2.677) 10.428 2.223 ( 3.305 -3.945 1.125) 5.268 2.360 ( -3.059 3.017 2.000) 4.740 2.394 ( -6.629 -6.881 0.434) 9.565 2.528 ( -5.662 -4.184 -0.629) 7.068 2.624 ( -4.474 -1.614 2.929) 5.586 2.781 ( 1.042 -5.038 -0.690) 5.190 2.868 ( -4.624 -6.782 -1.566) 8.357 2.925 ( -2.855 -0.692 -3.840) 4.835 3.048 ( 1.799 -2.188 2.086) 3.518 3.124 ( -0.204 -1.828 3.835) 4.253 3.193 ( -6.621 1.805 -4.147) 8.018 3.285 ( -1.002 2.268 0.948) 2.654 3.430 ( 4.383 -4.725 1.234) 6.563 3.541 ( 3.671 4.424 -2.608) 6.313 3.603 ( 3.953 0.987 0.024) 4.075 3.645 ( 2.588 -0.148 -2.135) 3.358 3.655 ( 3.130 2.692 0.234) 4.135 3.793 ( -3.380 5.742 -0.452) 6.679 3.950 ( -1.420 1.687 4.338) 4.866 4.044 ( 6.019 3.821 0.231) 7.134 4.141 ( 4.405 -0.795 0.056) 4.477 4.247 ( 4.496 3.009 -0.648) 5.448 4.389 ( 1.270 3.968 6.357) 7.601 4.443 ( 7.595 -0.537 -2.827) 8.122 4.647 ( 7.851 -1.315 -5.006) 9.403 4.746 ( 1.208 -1.557 -1.728) 2.621 4.909 ( 2.881 1.444 -0.199) 3.229 4.975 ( 6.317 -2.833 -1.092) 7.009 5.088 ( 3.219 -0.906 3.672) 4.966 5.176 ( 0.498 -3.091 0.315) 3.146 5.214 ( -4.646 2.050 -1.169) 5.211 5.320 ( 5.121 -3.216 3.635) 7.056 5.441 ( 1.648 -5.148 -1.685) 5.662 5.526 ( 2.346 -2.262 0.797) 3.355 5.843 ( 0.872 -0.249 0.151) 0.919 5.891 ( 2.522 -4.056 -1.396) 4.976 6.036 ( -2.946 -2.680 -1.080) 4.126 6.155 ( -1.806 0.123 0.841) 1.996 6.477 ( -5.561 1.495 -2.500) 6.278 6.608 ( -5.165 0.179 3.540) 6.264 6.748 ( -4.302 0.119 -2.174) 4.822 6.778 ( -7.603 4.866 3.746) 9.773 7.059 ( 2.744 5.198 -2.513) 6.393 7.139 ( -1.963 10.414 -2.630) 10.919 7.376 ( 0.045 3.270 -1.484) 3.591 7.571 ( -2.494 1.572 -0.403) 2.975 7.702 ( 5.614 1.437 2.220) 6.206 7.953 ( 9.127 1.836 -1.249) 9.393 8.139 ( -2.201 0.783 1.522) 2.788 8.282 ( -4.306 0.728 -5.624) 7.120 8.350 ( -2.086 -2.633 5.788) 6.692 8.620 ( 4.843 -3.096 -0.041) 5.748 8.743 ( 2.890 13.903 1.901) 14.327 8.780 ( 2.991 9.571 -1.371) 10.121 9.190 ( -11.637 -0.140 7.775) 13.996 9.468 ( 2.686 0.571 -11.514) 11.837 9.779 ( -5.670 -0.062 1.909) 5.983 9.828 ( 3.331 -0.312 1.510) 3.671 10.087 ( 3.897 -3.455 0.862) 5.279 10.393 ( 1.442 -1.091 -3.334) 3.793 10.483 ( 0.815 0.294 1.634) 1.850 10.623 ( 1.456 1.151 2.646) 3.232 10.964 ( -6.638 -1.293 -0.437) 6.777 11.143 ( -5.671 3.888 -1.765) 7.099 11.184 ( -6.328 1.442 -0.356) 6.500 11.299 ( 0.533 4.022 2.645) 4.843 11.421 ( 0.229 -1.559 -1.696) 2.315 11.565 ( 2.851 -1.029 0.681) 3.106 12.145 ( -12.607 14.294 -0.290) 19.061 12.273 ( -3.694 0.754 0.570) 3.813 12.327 ( -2.401 4.656 0.240) 5.244 12.346 ( -3.770 7.549 -0.181) 8.440 13.053 ( 4.866 4.587 1.104) 6.777 13.067 ( 4.892 3.842 -1.661) 6.438 16.287 ( 6.086 1.286 -2.053) 6.550 16.436 ( 8.604 3.926 2.394) 9.755 18.017 ( -5.340 -0.343 -0.155) 5.353 18.269 ( -1.844 -3.713 0.251) 4.154 18.377 ( -11.878 -3.042 -0.167) 12.262 18.975 ( 2.043 1.978 0.172) 2.849 19.047 ( 5.988 3.676 0.179) 7.029 19.387 ( 10.535 -8.356 -0.866) 13.474 19.491 ( 1.949 8.975 -2.405) 9.494 19.599 ( 4.588 8.627 5.944) 11.437 20.172 ( -5.865 6.969 0.646) 9.132 20.194 ( -6.736 8.607 -5.741) 12.345 20.846 ( -19.736 4.462 0.668) 20.245 21.408 ( -4.280 -0.970 1.131) 4.532 21.814 ( -1.652 -4.182 -1.385) 4.705 22.017 ( -1.103 -0.387 1.181) 1.662 22.133 ( 2.531 5.850 -0.589) 6.401 22.345 ( 2.012 5.226 0.581) 5.630 22.833 ( -1.767 -6.711 2.517) 7.383 22.916 ( 3.265 -5.907 -3.604) 7.651 23.067 ( 8.144 -8.854 0.185) 12.031 23.130 ( 8.656 -9.619 0.913) 12.973 ======================= Grid point 176 (80/86) ======================= q-point: (-0.10 -0.40 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -9.858 -8.338 -8.350) 15.376 1.310 ( -8.848 -8.514 1.977) 12.438 1.502 ( -5.888 -12.537 -0.055) 13.851 1.765 ( -12.008 7.429 10.177) 17.406 1.922 ( -3.896 -3.862 -3.908) 6.735 1.939 ( -4.754 -2.267 0.444) 5.285 2.249 ( -3.551 3.816 -1.234) 5.356 2.389 ( 3.098 -7.921 -0.553) 8.523 2.470 ( -12.198 -8.945 -0.961) 15.157 2.575 ( 2.555 0.280 -2.051) 3.288 2.617 ( -2.126 -1.503 4.676) 5.352 2.819 ( -9.380 -3.057 3.963) 10.632 2.893 ( 2.677 -0.344 -6.226) 6.786 2.988 ( 3.609 -2.293 -2.359) 4.884 3.101 ( -3.816 -2.178 -1.171) 4.547 3.164 ( 2.146 -0.704 -0.027) 2.258 3.174 ( -3.544 -6.057 0.991) 7.088 3.263 ( -1.280 -0.433 3.729) 3.966 3.430 ( 3.757 7.051 -3.717) 8.812 3.539 ( 2.604 7.319 -1.633) 7.938 3.601 ( 1.837 -5.681 1.956) 6.283 3.631 ( 2.261 2.050 0.543) 3.100 3.683 ( -1.836 0.786 -0.719) 2.123 3.722 ( 4.184 -2.183 -0.679) 4.768 3.924 ( -1.975 -0.717 3.735) 4.285 4.045 ( 4.519 2.917 -0.180) 5.382 4.150 ( 4.675 0.183 2.307) 5.217 4.269 ( 3.736 -0.686 -1.586) 4.116 4.349 ( 5.389 3.784 3.682) 7.544 4.515 ( 8.716 0.678 -4.845) 9.995 4.697 ( 2.564 -0.336 -3.842) 4.631 4.788 ( 0.680 -3.138 -0.406) 3.236 4.912 ( 1.105 -0.299 2.037) 2.336 5.053 ( -1.619 -1.476 -2.949) 3.674 5.134 ( -0.602 -1.093 3.573) 3.784 5.153 ( 1.187 -0.335 0.371) 1.288 5.202 ( 3.278 1.594 -0.128) 3.647 5.415 ( 0.856 -3.433 2.695) 4.447 5.480 ( -1.604 -1.565 -0.100) 2.243 5.636 ( 4.464 -3.596 0.444) 5.749 5.818 ( 1.718 3.618 -0.396) 4.025 5.976 ( 1.423 -3.082 -1.093) 3.567 6.063 ( -3.918 -3.240 -0.798) 5.146 6.129 ( -6.954 0.123 1.607) 7.138 6.360 ( -7.173 4.654 -1.032) 8.613 6.524 ( -4.944 9.848 3.591) 11.590 6.636 ( -0.967 -0.470 -1.913) 2.194 6.707 ( -4.705 0.157 -1.533) 4.951 6.920 ( -2.311 9.331 -3.239) 10.144 6.987 ( -2.042 2.413 1.057) 3.333 7.352 ( 4.984 1.678 -1.482) 5.464 7.502 ( -2.645 2.872 2.464) 4.616 7.715 ( 1.866 1.415 0.325) 2.364 7.939 ( 4.660 4.881 -2.201) 7.098 8.085 ( -4.138 5.065 -7.232) 9.751 8.148 ( -9.737 1.667 3.255) 10.401 8.406 ( 3.173 -1.162 5.248) 6.242 8.576 ( 4.590 6.718 0.054) 8.137 8.650 ( 3.654 2.520 0.601) 4.480 8.779 ( 8.191 -3.019 2.416) 9.057 9.120 ( -9.775 -0.360 5.779) 11.362 9.419 ( -0.210 2.612 -10.586) 10.906 9.749 ( -3.290 -0.735 1.781) 3.813 9.892 ( 0.767 -4.224 0.032) 4.293 10.179 ( 2.777 -2.753 0.524) 3.946 10.384 ( -0.851 0.688 -0.585) 1.241 10.550 ( 4.799 -3.964 -2.130) 6.578 10.644 ( 3.536 -0.160 4.858) 6.011 10.899 ( -4.354 2.890 -2.354) 5.732 11.013 ( -8.103 4.481 1.337) 9.355 11.069 ( -3.830 4.824 1.050) 6.248 11.218 ( -2.357 5.457 -1.627) 6.163 11.395 ( 0.602 3.657 0.050) 3.707 11.576 ( 1.774 1.751 0.024) 2.493 11.866 ( -6.424 4.030 0.161) 7.585 11.956 ( -10.105 10.032 -0.079) 14.239 12.356 ( 0.530 -3.853 0.318) 3.903 12.420 ( -0.413 -4.523 -0.238) 4.548 12.949 ( 3.802 8.138 -0.263) 8.986 13.049 ( 4.354 3.274 0.141) 5.449 16.296 ( 3.104 1.049 -1.596) 3.645 16.389 ( 1.531 4.809 1.675) 5.317 18.048 ( 0.758 -4.028 -0.430) 4.121 18.353 ( 0.494 -5.454 1.019) 5.570 18.394 ( -6.235 -5.926 -0.755) 8.635 18.932 ( -4.050 4.179 1.520) 6.015 18.961 ( 6.874 7.450 -1.266) 10.216 19.345 ( -1.827 5.682 -0.771) 6.018 19.424 ( 5.032 4.103 1.508) 6.665 19.542 ( -1.396 5.449 1.109) 5.733 19.944 ( -6.305 9.539 -3.551) 11.973 20.121 ( 5.520 -0.190 0.408) 5.538 20.717 ( -12.358 -4.788 0.802) 13.277 21.446 ( -3.620 -4.974 0.734) 6.195 21.878 ( 0.096 -3.341 -1.632) 3.720 22.011 ( -2.245 2.569 0.076) 3.412 22.064 ( 2.793 1.098 1.983) 3.597 22.240 ( 1.334 6.873 -1.444) 7.149 22.939 ( -2.729 -5.450 4.443) 7.543 23.020 ( 2.640 -3.367 -4.724) 6.373 23.242 ( 5.153 -4.114 1.609) 6.787 23.340 ( 8.230 -4.314 -0.983) 9.345 ======================= Grid point 184 (81/86) ======================= q-point: (-0.30 -0.30 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -20.608 -0.000 6.274) 21.542 1.294 ( -21.821 -0.000 2.614) 21.977 1.382 ( -8.960 -0.000 -2.356) 9.264 1.447 ( -12.116 -0.000 -7.698) 14.354 1.967 ( -10.346 -0.000 -1.814) 10.504 2.009 ( -13.163 -0.000 3.730) 13.681 2.191 ( -12.196 -0.000 -0.756) 12.219 2.335 ( -9.239 -0.000 3.979) 10.060 2.371 ( 0.129 0.000 4.528) 4.530 2.495 ( -4.739 -0.000 -4.386) 6.457 2.547 ( 3.589 0.000 -3.286) 4.866 2.616 ( 8.132 0.000 -10.700) 13.440 2.814 ( 5.863 0.000 -0.629) 5.897 2.869 ( -8.245 -0.000 8.556) 11.883 2.933 ( -8.851 -0.000 1.582) 8.992 3.093 ( -3.000 -0.000 2.477) 3.891 3.242 ( 0.425 0.000 -0.111) 0.439 3.377 ( -9.628 -0.000 2.513) 9.950 3.386 ( 7.190 0.000 -0.353) 7.198 3.568 ( 1.952 0.000 -4.342) 4.761 3.605 ( 4.222 0.000 -2.422) 4.868 3.708 ( -3.873 -0.000 -1.020) 4.005 3.759 ( 6.991 0.000 1.152) 7.085 3.962 ( -1.315 -0.000 -0.560) 1.429 3.980 ( -2.755 -0.000 3.196) 4.219 4.045 ( 3.785 0.000 3.972) 5.487 4.152 ( 13.101 0.000 -3.804) 13.642 4.413 ( 4.913 0.000 -2.296) 5.423 4.474 ( 3.017 0.000 5.933) 6.656 4.511 ( 2.845 0.000 -0.996) 3.014 4.602 ( 3.471 0.000 -0.814) 3.565 4.728 ( 8.685 0.000 0.457) 8.697 4.836 ( 8.794 0.000 -3.582) 9.496 4.937 ( -1.337 -0.000 -3.051) 3.331 5.039 ( 0.829 0.000 -0.251) 0.866 5.161 ( 5.907 0.000 1.235) 6.035 5.166 ( 0.128 0.000 4.007) 4.009 5.240 ( 13.548 0.000 -3.177) 13.916 5.367 ( 0.805 0.000 9.212) 9.247 5.534 ( 4.810 0.000 -8.574) 9.831 5.752 ( -4.348 -0.000 1.806) 4.708 5.786 ( 2.786 0.000 -1.245) 3.051 6.033 ( 4.242 0.000 -0.466) 4.268 6.116 ( -3.237 -0.000 0.442) 3.267 6.493 ( -4.332 -0.000 -3.640) 5.658 6.610 ( -10.310 -0.000 5.852) 11.855 6.769 ( -9.262 -0.000 0.894) 9.305 6.786 ( -2.577 -0.000 -2.219) 3.401 7.197 ( 2.715 0.000 -6.713) 7.241 7.289 ( 1.687 0.000 -4.536) 4.839 7.542 ( 3.157 0.000 -3.809) 4.947 7.546 ( -12.263 -0.000 6.003) 13.654 7.823 ( 3.184 0.000 -4.651) 5.637 7.864 ( 7.972 0.000 11.741) 14.192 8.186 ( 2.074 0.000 4.165) 4.653 8.312 ( 2.557 0.000 -2.496) 3.573 8.450 ( 2.279 0.000 -1.006) 2.491 8.455 ( 3.285 0.000 -2.125) 3.912 8.988 ( -5.243 -0.000 -0.042) 5.243 9.040 ( -8.177 -0.000 5.859) 10.059 9.286 ( 3.032 0.000 -2.010) 3.637 9.468 ( 3.667 0.000 -8.893) 9.619 9.817 ( -1.592 -0.000 0.998) 1.879 9.859 ( 7.337 0.000 4.097) 8.403 9.982 ( 5.012 0.000 0.543) 5.042 10.346 ( 2.598 0.000 -7.671) 8.099 10.560 ( -0.210 -0.000 6.796) 6.800 10.618 ( -2.816 -0.000 0.325) 2.835 11.006 ( -5.335 -0.000 5.548) 7.697 11.018 ( -6.452 -0.000 -5.000) 8.163 11.250 ( -7.653 -0.000 0.883) 7.704 11.362 ( -3.360 -0.000 -4.889) 5.932 11.412 ( 4.707 0.000 3.010) 5.587 11.503 ( 3.038 0.000 0.479) 3.075 12.209 ( 2.598 0.000 -0.214) 2.607 12.213 ( 0.579 0.000 0.032) 0.580 12.644 ( -13.812 -0.000 2.723) 14.078 12.865 ( -7.886 -0.000 -3.349) 8.568 13.112 ( 3.643 0.000 0.713) 3.712 13.145 ( 5.122 0.000 -1.292) 5.283 16.339 ( 9.647 0.000 -6.786) 11.795 16.524 ( 19.042 0.000 7.967) 20.642 18.124 ( -9.746 -0.000 -0.376) 9.753 18.139 ( -6.721 -0.000 0.470) 6.737 18.561 ( -6.741 -0.000 2.306) 7.125 18.667 ( -2.916 -0.000 -2.905) 4.116 19.086 ( 8.916 0.000 1.558) 9.051 19.110 ( 9.948 0.000 -0.971) 9.995 19.817 ( 3.844 0.000 -1.789) 4.240 19.872 ( 2.839 0.000 3.602) 4.587 20.328 ( -7.680 -0.000 14.300) 16.232 20.344 ( -7.061 -0.000 -17.294) 18.680 21.024 ( -18.348 -0.000 0.381) 18.352 21.552 ( -1.216 -0.000 -19.886) 19.923 21.961 ( -2.386 -0.000 15.142) 15.328 22.014 ( -0.493 -0.000 -3.579) 3.613 22.151 ( -2.591 -0.000 9.167) 9.526 22.452 ( -0.568 -0.000 0.957) 1.113 22.560 ( 8.469 0.000 -7.479) 11.299 22.627 ( 3.767 0.000 5.123) 6.359 22.829 ( 2.620 0.000 -0.313) 2.638 22.869 ( 5.225 0.000 -0.239) 5.231 ======================= Grid point 185 (82/86) ======================= q-point: (-0.20 -0.30 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -19.322 -1.870 7.700) 20.884 1.107 ( -18.897 0.557 0.451) 18.910 1.207 ( -15.323 1.090 -2.153) 15.512 1.530 ( -7.478 -11.821 -6.418) 15.389 1.830 ( -16.547 -1.237 -2.215) 16.741 1.957 ( -17.713 -5.252 4.308) 18.971 2.093 ( -19.968 -3.384 -2.666) 20.428 2.285 ( -10.926 -3.809 3.182) 12.001 2.387 ( -4.326 -1.824 4.966) 6.834 2.451 ( 8.764 8.134 -5.188) 13.034 2.522 ( -4.614 -3.518 -3.122) 6.588 2.745 ( 3.659 -3.729 -4.644) 6.990 2.780 ( 1.069 1.376 5.479) 5.750 2.860 ( -4.305 -1.792 -1.765) 4.986 2.962 ( 0.515 -5.094 0.553) 5.150 3.129 ( 1.372 -2.560 3.012) 4.185 3.195 ( -3.488 3.449 -0.043) 4.905 3.327 ( 0.445 0.131 -0.054) 0.467 3.410 ( 1.637 1.249 1.617) 2.618 3.592 ( 2.320 0.077 -2.302) 3.269 3.635 ( 5.165 -0.026 -1.606) 5.409 3.654 ( -1.314 0.435 -0.674) 1.539 3.773 ( 6.384 3.360 -1.738) 7.421 3.899 ( -1.548 5.243 -2.112) 5.860 3.997 ( 0.654 -0.026 6.686) 6.718 4.103 ( 0.954 -1.374 2.080) 2.669 4.201 ( 12.533 3.310 -1.977) 13.113 4.375 ( 4.216 5.867 -1.488) 7.376 4.475 ( 3.188 1.374 -1.412) 3.748 4.485 ( 2.934 2.821 5.236) 6.631 4.659 ( 6.272 -1.709 -1.894) 6.771 4.809 ( 9.096 3.590 -5.013) 10.989 4.916 ( 1.201 -2.662 -0.651) 2.992 4.999 ( 3.288 -7.799 -0.139) 8.465 5.019 ( -0.278 1.197 0.471) 1.315 5.152 ( 1.071 0.909 2.581) 2.939 5.245 ( 4.665 -0.839 2.300) 5.268 5.361 ( 2.747 0.930 4.356) 5.233 5.395 ( 10.036 -3.080 -4.203) 11.308 5.516 ( 1.131 1.002 -2.667) 3.065 5.786 ( -2.305 -3.847 1.670) 4.785 5.838 ( 3.396 -3.039 -2.129) 5.030 6.027 ( 1.817 1.685 -0.637) 2.559 6.138 ( -0.453 -1.504 1.011) 1.868 6.452 ( -3.604 0.651 -3.857) 5.319 6.546 ( -8.894 -0.872 3.937) 9.765 6.695 ( -9.030 -0.386 1.024) 9.096 6.752 ( -7.065 -0.553 -1.442) 7.232 7.158 ( 1.332 4.044 -4.408) 6.128 7.262 ( -6.758 4.805 0.307) 8.298 7.412 ( -4.392 1.954 -2.148) 5.265 7.550 ( -0.614 0.782 -2.699) 2.876 7.813 ( 5.643 2.820 0.783) 6.356 7.989 ( 5.440 -3.259 6.250) 8.904 8.207 ( 1.491 2.099 2.754) 3.770 8.301 ( 1.826 6.348 -5.042) 8.309 8.336 ( 1.611 0.721 1.756) 2.489 8.589 ( 4.844 -4.611 -1.535) 6.862 8.903 ( -4.169 4.133 -0.217) 5.875 8.966 ( -4.930 3.371 4.749) 7.630 9.186 ( -3.461 9.326 0.215) 9.950 9.462 ( -0.990 -0.295 -7.603) 7.673 9.786 ( 1.867 2.941 -1.807) 3.925 9.896 ( 5.875 3.226 4.828) 8.261 10.080 ( 8.563 -2.834 0.913) 9.066 10.366 ( 1.755 -1.683 -5.516) 6.029 10.511 ( -1.177 2.330 2.271) 3.460 10.654 ( 1.588 -0.975 2.976) 3.511 10.882 ( -7.169 0.655 0.965) 7.264 11.106 ( -1.643 -4.639 -0.062) 4.921 11.167 ( -8.484 2.571 1.847) 9.056 11.311 ( -5.932 -0.252 -4.521) 7.463 11.441 ( 5.481 1.472 2.509) 6.205 11.552 ( 2.710 -2.197 -0.059) 3.489 12.199 ( -4.160 1.566 0.382) 4.461 12.256 ( 0.051 -1.584 -0.360) 1.625 12.415 ( -9.464 10.696 1.974) 14.417 12.576 ( -14.141 17.221 -2.487) 22.421 13.135 ( 5.807 0.950 -0.773) 5.934 13.174 ( 3.781 2.103 -0.434) 4.348 16.372 ( 7.990 2.286 -6.299) 10.428 16.640 ( 15.565 6.681 7.460) 18.508 17.989 ( -7.400 2.806 -0.057) 7.914 18.154 ( -5.928 -4.668 0.412) 7.556 18.279 ( -12.374 5.457 -0.495) 13.533 18.956 ( 0.952 -9.871 -0.493) 9.929 19.153 ( 9.150 1.111 0.450) 9.228 19.268 ( 14.597 -10.638 0.011) 18.062 19.725 ( 3.623 11.209 -2.046) 11.956 19.808 ( 2.007 8.102 4.442) 9.455 20.201 ( -9.549 5.029 -13.759) 17.487 20.259 ( -9.090 3.390 9.404) 13.511 20.802 ( -21.422 6.764 -1.155) 22.495 21.398 ( -9.200 6.560 -9.315) 14.643 21.749 ( -2.625 2.071 6.806) 7.583 22.023 ( -2.247 2.329 -0.138) 3.239 22.248 ( 4.744 1.049 0.956) 4.952 22.426 ( -0.033 1.812 1.459) 2.327 22.707 ( 1.380 -6.160 0.717) 6.353 22.834 ( 6.436 -5.885 -1.678) 8.881 22.924 ( 10.481 -13.720 -0.290) 17.267 23.009 ( 6.789 -8.710 1.636) 11.164 ======================= Grid point 186 (83/86) ======================= q-point: (-0.10 -0.30 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -14.346 -1.908 -5.133) 15.356 1.061 ( -12.118 -7.807 2.642) 14.656 1.191 ( -11.539 -11.338 -0.190) 16.178 1.683 ( -7.665 -10.361 -0.317) 12.892 1.790 ( -8.238 -4.447 -0.569) 9.379 1.880 ( -15.338 1.318 4.829) 16.134 2.074 ( -20.051 -12.589 -1.896) 23.751 2.291 ( -12.747 -4.385 6.973) 15.176 2.350 ( 2.935 3.029 -3.177) 5.281 2.430 ( -1.391 -4.241 -2.363) 5.050 2.574 ( -2.438 -4.147 -3.009) 5.674 2.717 ( -6.165 0.565 0.642) 6.224 2.827 ( -1.794 -5.393 -0.627) 5.718 2.927 ( -2.422 -3.815 -0.397) 4.536 3.056 ( 3.952 -2.603 -5.433) 7.205 3.123 ( 3.229 1.234 1.073) 3.619 3.189 ( 3.054 -0.620 2.433) 3.954 3.293 ( -0.309 3.199 2.168) 3.876 3.495 ( 3.312 -6.255 -0.619) 7.105 3.560 ( 2.902 2.857 -1.204) 4.247 3.660 ( -0.476 -0.104 2.525) 2.572 3.713 ( 5.593 4.494 -2.097) 7.475 3.726 ( 5.638 1.307 -0.366) 5.799 3.752 ( 2.085 6.014 -4.581) 7.842 3.950 ( -2.712 4.203 7.271) 8.825 4.125 ( 4.618 0.925 0.474) 4.733 4.267 ( 5.568 -1.704 -0.506) 5.844 4.283 ( 5.032 7.490 -0.238) 9.026 4.453 ( 3.394 2.540 4.593) 6.250 4.560 ( 8.456 -3.468 -4.061) 10.001 4.701 ( -2.944 -1.585 2.550) 4.205 4.779 ( 7.327 5.009 -8.810) 12.506 4.908 ( -1.167 -0.246 -1.691) 2.069 5.017 ( -2.647 -0.847 2.272) 3.589 5.108 ( -0.875 0.994 4.780) 4.959 5.189 ( 0.839 -2.631 1.405) 3.098 5.274 ( 10.587 2.410 -1.385) 10.946 5.376 ( -0.678 -1.309 0.212) 1.489 5.465 ( 5.270 -0.990 -2.682) 5.996 5.594 ( 3.864 -4.154 1.912) 5.987 5.838 ( -2.832 -3.521 1.009) 4.631 5.905 ( 1.984 -1.620 -1.751) 3.103 6.026 ( 1.986 0.164 -0.872) 2.175 6.114 ( -4.439 2.118 1.442) 5.126 6.364 ( -8.591 2.979 -0.527) 9.108 6.540 ( -3.621 -2.399 0.082) 4.345 6.643 ( -8.544 -0.213 3.312) 9.166 6.678 ( -5.183 3.147 -3.678) 7.092 6.985 ( -11.780 6.297 2.796) 13.647 7.097 ( 0.238 7.007 -6.747) 9.730 7.407 ( 3.721 0.581 -4.776) 6.082 7.487 ( -8.043 0.861 1.916) 8.313 7.802 ( 5.027 3.398 2.727) 6.652 8.069 ( 3.745 0.582 1.587) 4.109 8.110 ( -0.749 6.494 0.705) 6.575 8.160 ( -5.902 5.691 -8.159) 11.567 8.407 ( 5.231 -2.664 6.587) 8.823 8.691 ( 3.208 -0.212 0.456) 3.248 8.790 ( 2.157 7.529 1.722) 8.019 8.844 ( 5.931 5.165 -1.883) 8.087 9.022 ( -12.875 -1.188 7.671) 15.034 9.428 ( -2.878 0.690 -7.116) 7.707 9.735 ( 0.739 2.486 -2.159) 3.374 9.873 ( 0.423 1.570 2.938) 3.358 10.188 ( 7.899 -0.969 0.920) 8.011 10.384 ( -0.851 0.250 -1.211) 1.501 10.514 ( 2.781 -2.256 -2.928) 4.625 10.685 ( 4.318 -0.138 5.616) 7.086 10.868 ( -4.958 -1.973 -0.688) 5.380 11.033 ( -8.452 4.323 1.998) 9.701 11.108 ( -2.192 2.171 -1.736) 3.540 11.263 ( -4.242 1.140 -1.500) 4.641 11.458 ( 3.522 1.678 1.676) 4.246 11.606 ( 2.537 -0.630 -0.699) 2.705 11.933 ( -13.064 10.686 0.010) 16.878 12.073 ( -16.862 12.730 -0.512) 21.134 12.324 ( 1.343 -0.170 0.804) 1.575 12.356 ( 1.109 -2.166 -0.364) 2.461 13.119 ( 3.285 6.236 -0.030) 7.049 13.143 ( 4.735 2.727 -0.606) 5.497 16.357 ( 4.057 2.894 -3.873) 6.312 16.536 ( 0.513 9.862 4.586) 10.888 17.982 ( 2.135 -4.000 -0.285) 4.543 18.212 ( -7.406 -6.051 0.818) 9.599 18.229 ( -3.550 -6.438 -0.810) 7.397 18.989 ( -1.653 3.190 0.828) 3.688 19.169 ( 9.016 5.693 -0.226) 10.665 19.475 ( -3.335 10.237 -0.610) 10.784 19.538 ( 8.730 2.222 -0.817) 9.045 19.684 ( 0.760 8.298 4.504) 9.472 20.018 ( -4.774 3.331 -12.772) 14.036 20.134 ( -3.890 1.012 6.242) 7.425 20.552 ( -15.748 -0.318 1.681) 15.840 21.299 ( -9.610 -4.495 -1.254) 10.683 21.791 ( -0.678 -4.473 0.389) 4.541 21.982 ( -3.089 -0.348 0.673) 3.181 22.195 ( 4.474 6.279 -0.256) 7.714 22.369 ( 0.951 5.248 -0.142) 5.335 22.824 ( -1.484 -5.615 4.902) 7.599 22.955 ( 4.120 -4.634 -6.025) 8.646 23.181 ( 5.743 -7.257 3.172) 9.783 23.318 ( 14.149 -7.775 -2.339) 16.313 ======================= Grid point 195 (84/86) ======================= q-point: (-0.20 -0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -19.767 -0.000 11.117) 22.678 0.916 ( -26.486 -0.000 7.608) 27.557 1.202 ( -13.099 -0.000 -9.655) 16.273 1.262 ( -3.478 -0.000 -7.653) 8.406 1.561 ( -37.815 -0.000 5.723) 38.246 1.762 ( -19.245 -0.000 -2.942) 19.469 1.908 ( -16.412 -0.000 -6.019) 17.481 2.186 ( -5.000 -0.000 -0.356) 5.013 2.314 ( -10.917 -0.000 6.605) 12.760 2.430 ( -4.681 -0.000 -5.061) 6.894 2.668 ( 5.507 0.000 1.201) 5.636 2.713 ( 6.864 0.000 -2.725) 7.386 2.800 ( -0.500 -0.000 3.472) 3.508 2.801 ( -6.323 -0.000 -0.430) 6.338 2.970 ( 10.206 0.000 2.356) 10.474 3.069 ( -0.196 -0.000 1.507) 1.519 3.278 ( -1.121 -0.000 -3.470) 3.647 3.280 ( 3.259 0.000 1.121) 3.446 3.478 ( 1.830 0.000 2.044) 2.743 3.561 ( -0.667 -0.000 -4.182) 4.235 3.661 ( -1.499 -0.000 -2.198) 2.661 3.680 ( 5.682 0.000 -0.888) 5.751 3.780 ( -4.047 -0.000 3.022) 5.051 3.943 ( 0.276 0.000 -1.638) 1.661 4.046 ( 10.307 0.000 -4.405) 11.209 4.086 ( -3.262 -0.000 7.805) 8.459 4.361 ( 12.880 0.000 -0.293) 12.883 4.468 ( 4.095 0.000 -0.974) 4.209 4.519 ( 0.295 0.000 -0.147) 0.329 4.569 ( 4.318 0.000 3.391) 5.491 4.694 ( 8.600 0.000 -4.025) 9.496 4.821 ( -0.809 -0.000 0.800) 1.138 4.935 ( 6.923 0.000 -1.380) 7.060 4.963 ( 9.178 0.000 -4.900) 10.404 5.037 ( -0.765 -0.000 -1.260) 1.474 5.168 ( -0.270 -0.000 2.898) 2.910 5.267 ( 1.961 0.000 7.066) 7.333 5.388 ( 2.120 0.000 -0.036) 2.120 5.449 ( 11.668 0.000 -6.226) 13.225 5.552 ( 2.181 0.000 -4.754) 5.231 5.742 ( 1.346 0.000 3.772) 4.005 5.828 ( 3.136 0.000 -1.616) 3.528 6.088 ( -0.623 -0.000 0.799) 1.014 6.103 ( 4.303 0.000 0.285) 4.313 6.434 ( -0.888 -0.000 -5.254) 5.328 6.469 ( -9.943 -0.000 4.874) 11.073 6.604 ( -10.833 -0.000 0.394) 10.841 6.665 ( -11.045 -0.000 -2.639) 11.356 7.209 ( 1.935 0.000 -5.987) 6.292 7.215 ( -16.866 -0.000 7.737) 18.556 7.376 ( -4.003 -0.000 -4.403) 5.951 7.564 ( 0.847 0.000 -8.086) 8.130 7.886 ( 8.403 0.000 -5.000) 9.778 8.007 ( 2.559 0.000 12.836) 13.089 8.248 ( 2.044 0.000 5.680) 6.036 8.352 ( 2.051 0.000 -1.885) 2.786 8.486 ( 2.712 0.000 -4.502) 5.256 8.500 ( 5.583 0.000 -0.089) 5.584 8.893 ( -5.828 -0.000 -1.524) 6.024 8.916 ( -10.490 -0.000 9.543) 14.181 9.323 ( 4.781 0.000 -9.918) 11.010 9.413 ( -6.002 -0.000 -3.356) 6.876 9.863 ( 8.002 0.000 -4.262) 9.067 10.047 ( 12.267 0.000 7.517) 14.386 10.128 ( 12.928 0.000 -1.096) 12.974 10.348 ( 2.104 0.000 -6.152) 6.502 10.561 ( -4.375 -0.000 0.210) 4.381 10.595 ( 0.822 0.000 3.216) 3.320 10.920 ( -2.838 -0.000 -6.059) 6.690 10.999 ( -0.370 -0.000 13.989) 13.994 11.132 ( -7.406 -0.000 2.582) 7.843 11.243 ( -7.063 -0.000 -6.300) 9.465 11.511 ( 5.251 0.000 2.068) 5.643 11.542 ( 2.142 0.000 -0.771) 2.277 12.188 ( -6.301 -0.000 2.816) 6.902 12.246 ( 2.208 0.000 -1.581) 2.716 12.444 ( -11.272 -0.000 3.823) 11.903 12.662 ( -14.746 -0.000 -10.983) 18.386 13.176 ( 3.934 0.000 0.487) 3.964 13.215 ( 4.331 0.000 -1.389) 4.548 16.447 ( 8.770 0.000 -10.661) 13.805 16.931 ( 26.517 0.000 11.306) 28.827 17.976 ( -7.750 -0.000 0.085) 7.750 18.038 ( -6.078 -0.000 0.360) 6.088 18.456 ( -8.326 -0.000 3.553) 9.052 18.580 ( -6.107 -0.000 -8.482) 10.452 19.241 ( 9.347 0.000 0.680) 9.371 19.281 ( 11.918 0.000 -0.082) 11.918 19.878 ( 4.413 0.000 -1.584) 4.689 19.914 ( 0.267 0.000 2.594) 2.608 20.160 ( -7.041 -0.000 -11.991) 13.906 20.217 ( -13.414 -0.000 10.889) 17.277 20.712 ( -19.705 -0.000 -0.652) 19.716 21.356 ( -11.459 -0.000 -29.594) 31.735 21.979 ( -0.839 -0.000 5.749) 5.810 22.000 ( -0.127 -0.000 -1.262) 1.269 22.189 ( 0.718 0.000 15.336) 15.353 22.447 ( -0.376 -0.000 -0.211) 0.431 22.681 ( 10.238 0.000 -4.768) 11.294 22.738 ( 6.579 0.000 10.871) 12.707 22.873 ( 2.901 0.000 -0.088) 2.903 22.955 ( 5.793 0.000 -1.518) 5.989 ======================= Grid point 196 (85/86) ======================= q-point: (-0.10 -0.20 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -19.016 -1.519 8.553) 20.906 0.805 ( -19.755 -8.158 8.161) 22.878 1.011 ( -6.154 3.107 -12.085) 13.913 1.393 ( -4.752 -12.188 -5.833) 14.323 1.427 ( -30.805 -15.384 8.214) 35.399 1.663 ( -23.926 -9.233 -8.691) 27.078 1.793 ( -7.877 0.324 2.063) 8.149 2.140 ( -7.777 -0.077 -0.810) 7.820 2.309 ( -7.503 -5.851 5.428) 10.954 2.422 ( -5.392 -4.012 -4.430) 8.050 2.560 ( 2.550 8.124 3.849) 9.344 2.723 ( -3.633 3.421 -2.316) 5.501 2.749 ( -2.408 -0.481 0.367) 2.483 2.850 ( 0.855 -0.431 -0.119) 0.965 3.066 ( 10.949 -2.020 -6.347) 12.816 3.154 ( 0.238 -4.257 6.152) 7.485 3.204 ( 3.856 3.070 -1.244) 5.083 3.345 ( -0.865 1.810 0.447) 2.055 3.433 ( 3.775 -2.310 -2.509) 5.088 3.618 ( 3.233 0.715 -2.609) 4.215 3.630 ( -2.891 -2.600 2.267) 4.501 3.737 ( 7.220 -1.684 -1.278) 7.523 3.810 ( -1.072 -2.168 -1.150) 2.678 3.875 ( 0.418 6.432 -1.298) 6.575 4.016 ( -4.021 3.176 7.081) 8.741 4.138 ( 4.729 -0.942 -3.145) 5.757 4.367 ( 7.248 5.925 2.982) 9.825 4.466 ( 7.575 3.743 -1.771) 8.633 4.534 ( 3.017 -1.266 1.718) 3.695 4.549 ( 3.947 4.242 -0.422) 5.810 4.717 ( 2.290 2.992 -1.580) 4.085 4.855 ( -6.813 -0.622 -1.391) 6.981 4.936 ( 10.132 3.078 -6.781) 12.575 5.006 ( 0.388 1.125 0.461) 1.277 5.089 ( 3.930 -5.191 2.014) 6.815 5.186 ( 1.878 0.920 3.458) 4.042 5.311 ( -3.937 -3.934 5.889) 8.103 5.415 ( 9.816 2.861 -6.935) 12.355 5.484 ( 5.422 -0.671 -7.774) 9.502 5.582 ( 5.669 -0.984 2.317) 6.203 5.765 ( -1.515 -0.830 2.217) 2.811 5.883 ( 3.353 -2.806 -1.069) 4.501 6.071 ( 3.847 1.308 0.476) 4.091 6.129 ( -2.804 1.685 1.418) 3.566 6.342 ( -9.691 2.820 0.133) 10.093 6.469 ( -2.142 -2.571 -0.638) 3.407 6.547 ( -8.778 -1.885 1.061) 9.041 6.610 ( -8.041 -3.465 -4.565) 9.875 6.999 ( -20.361 5.906 7.395) 22.453 7.178 ( -0.296 3.214 -7.546) 8.207 7.381 ( 0.900 -2.138 -5.824) 6.269 7.486 ( -6.629 3.882 -5.157) 9.253 7.910 ( 6.452 3.228 0.096) 7.215 8.086 ( 2.301 -1.997 7.833) 8.405 8.189 ( -3.617 5.685 0.587) 6.763 8.316 ( 2.066 9.215 -3.779) 10.171 8.423 ( 7.349 -1.946 2.813) 8.106 8.672 ( 6.377 -5.290 -2.050) 8.535 8.827 ( -5.263 1.062 -0.030) 5.370 8.885 ( -7.900 -2.374 8.119) 11.574 9.148 ( -0.394 16.595 -4.417) 17.178 9.368 ( -7.118 -0.880 -1.884) 7.415 9.857 ( 8.578 6.292 -6.324) 12.377 10.003 ( 2.160 10.684 8.298) 13.699 10.257 ( 12.273 -0.711 0.228) 12.296 10.373 ( 2.150 -1.531 -2.924) 3.939 10.504 ( 0.524 0.394 -1.577) 1.707 10.702 ( 1.779 -4.972 -0.493) 5.304 10.795 ( -4.306 2.437 4.060) 6.400 11.040 ( -7.806 2.246 2.567) 8.518 11.119 ( 0.120 0.415 0.003) 0.432 11.203 ( -2.661 -3.191 0.713) 4.216 11.524 ( 3.485 1.549 0.989) 3.940 11.595 ( 3.308 -2.216 -1.026) 4.111 12.023 ( -16.772 9.810 2.125) 19.546 12.163 ( -17.656 11.472 -6.050) 21.908 12.353 ( -1.260 1.790 1.444) 2.622 12.360 ( -4.466 3.858 -1.556) 6.103 13.217 ( 5.026 0.680 -1.801) 5.382 13.223 ( 2.265 2.365 0.057) 3.276 16.450 ( 7.006 3.735 -9.375) 12.285 16.863 ( 3.023 23.529 10.791) 26.061 17.930 ( 2.103 -3.076 -0.082) 3.727 18.066 ( -5.489 -5.608 1.200) 7.938 18.093 ( -9.174 1.831 -1.993) 9.565 18.936 ( -4.843 -10.506 -4.195) 12.305 19.301 ( 8.600 1.232 -0.030) 8.688 19.512 ( 15.332 -10.884 -0.401) 18.807 19.741 ( -1.815 13.791 -1.449) 13.985 19.849 ( -0.166 6.844 2.829) 7.408 19.990 ( -7.597 4.947 -7.049) 11.484 20.132 ( -9.853 1.714 4.430) 10.938 20.474 ( -18.002 5.558 1.058) 18.870 21.126 ( -18.466 -0.615 -14.311) 23.370 21.765 ( 0.166 3.890 8.305) 9.172 21.983 ( -2.474 2.782 -0.291) 3.734 22.334 ( 5.481 2.706 -0.682) 6.150 22.427 ( -0.579 0.189 1.276) 1.414 22.739 ( 1.306 -3.281 4.411) 5.651 22.902 ( 4.330 -2.384 -4.327) 6.569 23.078 ( 6.783 -8.975 1.493) 11.349 23.209 ( 18.250 -17.901 -2.101) 25.650 ======================= Grid point 206 (86/86) ======================= q-point: (-0.10 -0.10 0.33) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -19.694 -0.000 12.615) 23.388 0.564 ( -22.012 -0.000 14.146) 26.166 0.936 ( -22.713 -0.000 6.118) 23.522 1.034 ( -21.126 -0.000 2.210) 21.241 1.213 ( -2.931 -0.000 -9.927) 10.350 1.371 ( -14.007 -0.000 -20.454) 24.790 1.764 ( -0.794 -0.000 2.173) 2.313 2.134 ( -12.504 -0.000 7.241) 14.450 2.146 ( 0.472 0.000 -3.562) 3.593 2.328 ( -4.417 -0.000 -5.507) 7.060 2.635 ( -5.880 -0.000 5.731) 8.211 2.710 ( -4.595 -0.000 0.452) 4.617 2.810 ( 4.422 0.000 3.123) 5.414 2.904 ( 5.087 0.000 1.217) 5.230 3.107 ( 5.185 0.000 -2.106) 5.597 3.127 ( 8.247 0.000 -1.477) 8.378 3.293 ( 5.052 0.000 -7.863) 9.346 3.335 ( 2.798 0.000 0.353) 2.821 3.463 ( -3.123 -0.000 0.930) 3.259 3.517 ( -1.386 -0.000 -5.992) 6.150 3.648 ( 1.841 0.000 -2.470) 3.081 3.689 ( -5.292 -0.000 6.749) 8.576 3.808 ( 5.568 0.000 -2.069) 5.940 3.937 ( -2.075 -0.000 -0.369) 2.107 4.021 ( -6.685 -0.000 7.739) 10.227 4.163 ( 5.867 0.000 -8.905) 10.664 4.500 ( 2.467 0.000 3.629) 4.388 4.507 ( -1.334 -0.000 4.368) 4.567 4.584 ( 10.306 0.000 -4.848) 11.389 4.651 ( 6.531 0.000 -1.362) 6.671 4.784 ( -1.586 -0.000 -3.145) 3.522 4.794 ( 2.559 0.000 -2.202) 3.376 5.014 ( 3.547 0.000 -4.683) 5.875 5.057 ( 4.794 0.000 2.359) 5.343 5.084 ( 5.849 0.000 -2.881) 6.520 5.187 ( 1.915 0.000 -0.126) 1.919 5.220 ( -6.231 -0.000 6.041) 8.679 5.441 ( -8.263 -0.000 -15.044) 17.164 5.539 ( 14.248 0.000 -3.013) 14.563 5.629 ( 6.458 0.000 1.514) 6.633 5.785 ( 0.557 0.000 4.096) 4.134 5.864 ( 1.214 0.000 -1.333) 1.803 6.105 ( 3.747 0.000 2.170) 4.330 6.155 ( 0.617 0.000 2.563) 2.637 6.346 ( -9.380 -0.000 0.130) 9.381 6.355 ( -7.456 -0.000 3.363) 8.179 6.447 ( -11.338 -0.000 -3.991) 12.020 6.511 ( 0.392 0.000 -4.156) 4.174 6.900 ( -21.082 -0.000 8.660) 22.791 7.181 ( -3.186 -0.000 -8.638) 9.207 7.364 ( 3.561 0.000 -7.633) 8.423 7.435 ( -13.151 -0.000 -8.250) 15.525 8.041 ( 12.763 0.000 -4.502) 13.533 8.066 ( -1.331 -0.000 10.218) 10.305 8.286 ( 1.628 0.000 0.971) 1.896 8.322 ( -5.778 -0.000 3.483) 6.747 8.523 ( 3.545 0.000 1.477) 3.840 8.644 ( 12.457 0.000 -2.648) 12.736 8.802 ( -3.966 -0.000 -3.946) 5.595 8.814 ( -8.062 -0.000 9.699) 12.612 9.285 ( -8.796 -0.000 1.069) 8.861 9.339 ( 3.109 0.000 -12.899) 13.268 10.029 ( 15.648 0.000 -4.810) 16.371 10.267 ( 9.504 0.000 3.206) 10.030 10.350 ( 14.525 0.000 -2.041) 14.668 10.376 ( 4.362 0.000 -2.443) 5.000 10.486 ( -4.839 -0.000 0.130) 4.841 10.594 ( -1.478 -0.000 -0.263) 1.502 10.868 ( -0.193 -0.000 -5.252) 5.256 11.010 ( -5.331 -0.000 2.835) 6.038 11.106 ( -5.856 -0.000 -5.263) 7.873 11.199 ( 13.026 0.000 17.082) 21.482 11.566 ( 1.617 0.000 -2.609) 3.070 11.591 ( 4.129 0.000 0.435) 4.151 12.010 ( -17.018 -0.000 6.301) 18.147 12.119 ( -30.478 -0.000 -21.932) 37.549 12.354 ( -5.255 -0.000 -3.799) 6.484 12.359 ( -2.226 -0.000 1.072) 2.471 13.234 ( 3.001 0.000 -0.046) 3.001 13.263 ( 2.077 0.000 -1.265) 2.432 16.552 ( 12.952 0.000 -11.859) 17.561 17.426 ( 26.261 0.000 -2.060) 26.342 17.903 ( -1.187 -0.000 -0.083) 1.190 17.955 ( -3.844 -0.000 -0.666) 3.901 18.274 ( -30.306 -0.000 -19.049) 35.796 18.322 ( -10.920 -0.000 4.017) 11.635 19.374 ( 7.585 0.000 2.031) 7.852 19.485 ( 12.942 0.000 1.461) 13.024 19.899 ( -2.522 -0.000 1.231) 2.807 19.914 ( -3.315 -0.000 -0.424) 3.342 20.028 ( -9.734 -0.000 4.140) 10.578 20.054 ( -0.921 -0.000 -3.140) 3.272 20.432 ( -14.384 -0.000 -0.072) 14.384 20.847 ( -35.024 -0.000 -32.152) 47.544 21.989 ( 0.109 0.000 0.652) 0.661 21.994 ( -0.250 -0.000 -0.371) 0.447 22.302 ( 4.863 0.000 9.634) 10.792 22.439 ( -0.325 -0.000 -0.910) 0.967 22.825 ( 8.689 0.000 -1.532) 8.823 22.910 ( 2.168 0.000 0.380) 2.201 22.968 ( 14.311 0.000 10.842) 17.954 23.033 ( 4.794 0.000 -1.805) 5.122 =================== 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 3/30600 10.0 154.982 76.611 77.696 -0.000 -14.307 0.000 3/30600 20.0 51.188 24.211 19.770 -0.000 -4.571 0.000 3/30600 30.0 25.787 12.447 9.403 -0.000 -2.211 0.000 3/30600 40.0 16.275 7.946 5.872 -0.000 -1.417 0.000 3/30600 50.0 11.647 5.728 4.213 -0.000 -1.049 0.000 3/30600 60.0 9.008 4.452 3.278 -0.000 -0.839 0.000 3/30600 70.0 7.332 3.637 2.685 -0.000 -0.703 0.000 3/30600 80.0 6.183 3.077 2.278 -0.000 -0.608 0.000 3/30600 90.0 5.350 2.670 1.982 -0.000 -0.536 0.000 3/30600 100.0 4.720 2.362 1.757 -0.000 -0.481 0.000 3/30600 110.0 4.228 2.122 1.580 -0.000 -0.436 0.000 3/30600 120.0 3.832 1.928 1.437 -0.000 -0.400 0.000 3/30600 130.0 3.508 1.770 1.320 -0.000 -0.369 0.000 3/30600 140.0 3.237 1.638 1.221 -0.000 -0.343 0.000 3/30600 150.0 3.007 1.525 1.137 -0.000 -0.320 0.000 3/30600 160.0 2.810 1.429 1.065 -0.000 -0.301 0.000 3/30600 170.0 2.639 1.345 1.002 -0.000 -0.283 0.000 3/30600 180.0 2.489 1.272 0.946 -0.000 -0.268 0.000 3/30600 190.0 2.356 1.206 0.897 -0.000 -0.254 0.000 3/30600 200.0 2.237 1.148 0.854 -0.000 -0.242 0.000 3/30600 210.0 2.131 1.096 0.814 -0.000 -0.231 0.000 3/30600 220.0 2.035 1.049 0.779 -0.000 -0.221 0.000 3/30600 230.0 1.948 1.006 0.746 -0.000 -0.211 0.000 3/30600 240.0 1.868 0.967 0.717 -0.000 -0.203 0.000 3/30600 250.0 1.795 0.931 0.690 -0.000 -0.195 0.000 3/30600 260.0 1.728 0.898 0.664 -0.000 -0.188 0.000 3/30600 270.0 1.666 0.867 0.641 -0.000 -0.181 0.000 3/30600 280.0 1.608 0.838 0.620 -0.000 -0.175 0.000 3/30600 290.0 1.555 0.811 0.600 -0.000 -0.169 0.000 3/30600 300.0 1.505 0.787 0.581 -0.000 -0.163 0.000 3/30600 310.0 1.458 0.763 0.564 -0.000 -0.158 0.000 3/30600 320.0 1.414 0.741 0.547 -0.000 -0.154 0.000 3/30600 330.0 1.373 0.721 0.532 -0.000 -0.149 0.000 3/30600 340.0 1.334 0.701 0.517 -0.000 -0.145 0.000 3/30600 350.0 1.298 0.683 0.503 -0.000 -0.141 0.000 3/30600 360.0 1.263 0.665 0.490 -0.000 -0.137 0.000 3/30600 370.0 1.230 0.649 0.478 -0.000 -0.134 0.000 3/30600 380.0 1.199 0.633 0.466 -0.000 -0.130 0.000 3/30600 390.0 1.170 0.618 0.455 -0.000 -0.127 0.000 3/30600 400.0 1.142 0.603 0.444 -0.000 -0.124 0.000 3/30600 410.0 1.115 0.590 0.434 -0.000 -0.121 0.000 3/30600 420.0 1.089 0.577 0.424 -0.000 -0.118 0.000 3/30600 430.0 1.065 0.564 0.415 -0.000 -0.115 0.000 3/30600 440.0 1.042 0.552 0.406 -0.000 -0.113 0.000 3/30600 450.0 1.019 0.541 0.398 -0.000 -0.111 0.000 3/30600 460.0 0.998 0.530 0.389 -0.000 -0.108 0.000 3/30600 470.0 0.977 0.519 0.382 -0.000 -0.106 0.000 3/30600 480.0 0.958 0.509 0.374 -0.000 -0.104 0.000 3/30600 490.0 0.939 0.499 0.367 -0.000 -0.102 0.000 3/30600 500.0 0.921 0.490 0.360 -0.000 -0.100 0.000 3/30600 510.0 0.903 0.481 0.353 -0.000 -0.098 0.000 3/30600 520.0 0.886 0.472 0.347 -0.000 -0.096 0.000 3/30600 530.0 0.870 0.464 0.341 -0.000 -0.094 0.000 3/30600 540.0 0.854 0.456 0.335 -0.000 -0.093 0.000 3/30600 550.0 0.839 0.448 0.329 -0.000 -0.091 0.000 3/30600 560.0 0.825 0.440 0.323 -0.000 -0.089 0.000 3/30600 570.0 0.811 0.433 0.318 -0.000 -0.088 0.000 3/30600 580.0 0.797 0.426 0.312 -0.000 -0.086 0.000 3/30600 590.0 0.784 0.419 0.307 -0.000 -0.085 0.000 3/30600 600.0 0.771 0.412 0.302 -0.000 -0.083 0.000 3/30600 610.0 0.759 0.406 0.298 -0.000 -0.082 0.000 3/30600 620.0 0.747 0.400 0.293 -0.000 -0.081 0.000 3/30600 630.0 0.736 0.394 0.289 -0.000 -0.080 0.000 3/30600 640.0 0.724 0.388 0.284 -0.000 -0.078 0.000 3/30600 650.0 0.713 0.382 0.280 -0.000 -0.077 0.000 3/30600 660.0 0.703 0.377 0.276 -0.000 -0.076 0.000 3/30600 670.0 0.693 0.371 0.272 -0.000 -0.075 0.000 3/30600 680.0 0.683 0.366 0.268 -0.000 -0.074 0.000 3/30600 690.0 0.673 0.361 0.264 -0.000 -0.073 0.000 3/30600 700.0 0.664 0.356 0.261 -0.000 -0.072 0.000 3/30600 710.0 0.654 0.351 0.257 -0.000 -0.071 0.000 3/30600 720.0 0.646 0.346 0.254 -0.000 -0.070 0.000 3/30600 730.0 0.637 0.342 0.250 -0.000 -0.069 0.000 3/30600 740.0 0.628 0.337 0.247 -0.000 -0.068 0.000 3/30600 750.0 0.620 0.333 0.244 -0.000 -0.067 0.000 3/30600 760.0 0.612 0.329 0.241 -0.000 -0.066 0.000 3/30600 770.0 0.604 0.325 0.238 -0.000 -0.065 0.000 3/30600 780.0 0.597 0.321 0.235 -0.000 -0.065 0.000 3/30600 790.0 0.589 0.317 0.232 -0.000 -0.064 0.000 3/30600 800.0 0.582 0.313 0.229 -0.000 -0.063 0.000 3/30600 810.0 0.575 0.309 0.226 -0.000 -0.062 0.000 3/30600 820.0 0.568 0.305 0.224 -0.000 -0.061 0.000 3/30600 830.0 0.561 0.302 0.221 -0.000 -0.061 0.000 3/30600 840.0 0.555 0.298 0.218 -0.000 -0.060 0.000 3/30600 850.0 0.548 0.295 0.216 -0.000 -0.059 0.000 3/30600 860.0 0.542 0.292 0.214 -0.000 -0.059 0.000 3/30600 870.0 0.536 0.288 0.211 -0.000 -0.058 0.000 3/30600 880.0 0.530 0.285 0.209 -0.000 -0.057 0.000 3/30600 890.0 0.524 0.282 0.206 -0.000 -0.057 0.000 3/30600 900.0 0.518 0.279 0.204 -0.000 -0.056 0.000 3/30600 910.0 0.513 0.276 0.202 -0.000 -0.055 0.000 3/30600 920.0 0.507 0.273 0.200 -0.000 -0.055 0.000 3/30600 930.0 0.502 0.270 0.198 -0.000 -0.054 0.000 3/30600 940.0 0.497 0.267 0.196 -0.000 -0.054 0.000 3/30600 950.0 0.492 0.265 0.194 -0.000 -0.053 0.000 3/30600 960.0 0.487 0.262 0.192 -0.000 -0.053 0.000 3/30600 970.0 0.482 0.259 0.190 -0.000 -0.052 0.000 3/30600 980.0 0.477 0.257 0.188 -0.000 -0.052 0.000 3/30600 990.0 0.472 0.254 0.186 -0.000 -0.051 0.000 3/30600 1000.0 0.467 0.252 0.184 -0.000 -0.050 0.000 3/30600 Thermal conductivity related properties were written into "kappa-m10103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:30:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|