----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:39:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.579994520024826 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): *1 O 0.26062140315093 0.56689202009192 0.66615562889063 15.999 2 O 0.73937859684907 0.06689202009192 0.83384437110937 15.999 3 O 0.73937859684907 0.43310797990808 0.33384437110937 15.999 4 O 0.26062140315093 0.93310797990808 0.16615562889063 15.999 *5 O 0.21734443552644 0.37065872370600 0.99797916722502 15.999 6 O 0.78265556447356 0.87065872370600 0.50202083277498 15.999 7 O 0.78265556447356 0.62934127629400 0.00202083277499 15.999 8 O 0.21734443552644 0.12934127629400 0.49797916722501 15.999 *9 O 0.57051499599986 0.29985167158541 0.11821500017141 15.999 10 O 0.42948500400014 0.79985167158541 0.38178499982859 15.999 11 O 0.42948500400014 0.70014832841459 0.88178499982859 15.999 12 O 0.57051499599986 0.20014832841459 0.61821500017141 15.999 *13 O 0.91683604100039 0.29262078484810 0.06825983751374 15.999 14 O 0.08316395899961 0.79262078484810 0.43174016248626 15.999 15 O 0.08316395899961 0.70737921515190 0.93174016248626 15.999 16 O 0.91683604100039 0.20737921515190 0.56825983751374 15.999 *17 O 0.43844529875994 0.12495001557108 0.88567538660473 15.999 18 O 0.56155470124006 0.62495001557108 0.61432461339527 15.999 19 O 0.56155470124006 0.87504998442892 0.11432461339527 15.999 20 O 0.43844529875994 0.37504998442892 0.38567538660473 15.999 *21 O 0.97226057018509 0.10324138454626 0.30201344861959 15.999 22 O 0.02773942981491 0.60324138454626 0.19798655138041 15.999 23 O 0.02773942981491 0.89675861545374 0.69798655138041 15.999 24 O 0.97226057018509 0.39675861545374 0.80201344861959 15.999 *25 O 0.52091284342113 0.06572233840790 0.31047733186194 15.999 26 O 0.47908715657887 0.56572233840790 0.18952266813806 15.999 27 O 0.47908715657887 0.93427766159210 0.68952266813806 15.999 28 O 0.52091284342113 0.43427766159210 0.81047733186194 15.999 *29 O 0.07376993906491 0.36742774096881 0.38052642797510 15.999 30 O 0.92623006093509 0.86742774096882 0.11947357202490 15.999 31 O 0.92623006093509 0.63257225903118 0.61947357202491 15.999 32 O 0.07376993906491 0.13257225903118 0.88052642797509 15.999 *33 Zn 0.42366264938709 0.31509478663899 0.95099839516355 65.380 34 Zn 0.57633735061291 0.81509478663899 0.54900160483645 65.380 35 Zn 0.57633735061291 0.68490521336101 0.04900160483645 65.380 36 Zn 0.42366264938709 0.18490521336101 0.45099839516355 65.380 *37 Zn 0.92809215052069 0.07384544642715 0.72112418352606 65.380 38 Zn 0.07190784947931 0.57384544642715 0.77887581647394 65.380 39 Zn 0.07190784947931 0.92615455357285 0.27887581647394 65.380 40 Zn 0.92809215052069 0.42615455357285 0.22112418352606 65.380 *41 As 0.44014218120246 0.58252249376323 0.74861188869097 74.922 42 As 0.55985781879754 0.08252249376324 0.75138811130903 74.922 43 As 0.55985781879754 0.41747750623676 0.25138811130903 74.922 44 As 0.44014218120246 0.91747750623677 0.24861188869097 74.922 *45 As 0.94988869096429 0.79679031643663 0.56283647782401 74.922 46 As 0.05011130903571 0.29679031643663 0.93716352217599 74.922 47 As 0.05011130903571 0.20320968356337 0.43716352217599 74.922 48 As 0.94988869096429 0.70320968356337 0.06283647782401 74.922 *49 Sr 0.74863595283122 0.08340279833221 0.11498232065213 87.620 50 Sr 0.25136404716878 0.58340279833221 0.38501767934787 87.620 51 Sr 0.25136404716878 0.91659720166779 0.88501767934787 87.620 52 Sr 0.74863595283122 0.41659720166779 0.61498232065213 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.579994520024826 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): *1 O 0.26062140315093 0.56689202009192 0.66615562889063 15.999 > 1 2 O 0.73937859684907 0.06689202009192 0.83384437110937 15.999 > 2 3 O 0.73937859684907 0.43310797990808 0.33384437110937 15.999 > 3 4 O 0.26062140315093 0.93310797990808 0.16615562889063 15.999 > 4 *5 O 0.21734443552644 0.37065872370600 0.99797916722502 15.999 > 5 6 O 0.78265556447356 0.87065872370600 0.50202083277498 15.999 > 6 7 O 0.78265556447356 0.62934127629400 0.00202083277499 15.999 > 7 8 O 0.21734443552644 0.12934127629400 0.49797916722501 15.999 > 8 *9 O 0.57051499599986 0.29985167158541 0.11821500017141 15.999 > 9 10 O 0.42948500400014 0.79985167158541 0.38178499982859 15.999 > 10 11 O 0.42948500400014 0.70014832841459 0.88178499982859 15.999 > 11 12 O 0.57051499599986 0.20014832841459 0.61821500017141 15.999 > 12 *13 O 0.91683604100039 0.29262078484810 0.06825983751374 15.999 > 13 14 O 0.08316395899961 0.79262078484810 0.43174016248626 15.999 > 14 15 O 0.08316395899961 0.70737921515190 0.93174016248626 15.999 > 15 16 O 0.91683604100039 0.20737921515190 0.56825983751374 15.999 > 16 *17 O 0.43844529875994 0.12495001557108 0.88567538660473 15.999 > 17 18 O 0.56155470124006 0.62495001557108 0.61432461339527 15.999 > 18 19 O 0.56155470124006 0.87504998442892 0.11432461339527 15.999 > 19 20 O 0.43844529875994 0.37504998442892 0.38567538660473 15.999 > 20 *21 O 0.97226057018509 0.10324138454626 0.30201344861959 15.999 > 21 22 O 0.02773942981491 0.60324138454626 0.19798655138041 15.999 > 22 23 O 0.02773942981491 0.89675861545374 0.69798655138041 15.999 > 23 24 O 0.97226057018509 0.39675861545374 0.80201344861959 15.999 > 24 *25 O 0.52091284342113 0.06572233840790 0.31047733186194 15.999 > 25 26 O 0.47908715657887 0.56572233840790 0.18952266813806 15.999 > 26 27 O 0.47908715657887 0.93427766159210 0.68952266813806 15.999 > 27 28 O 0.52091284342113 0.43427766159210 0.81047733186194 15.999 > 28 *29 O 0.07376993906491 0.36742774096881 0.38052642797510 15.999 > 29 30 O 0.92623006093509 0.86742774096882 0.11947357202490 15.999 > 30 31 O 0.92623006093509 0.63257225903118 0.61947357202491 15.999 > 31 32 O 0.07376993906491 0.13257225903118 0.88052642797509 15.999 > 32 *33 Zn 0.42366264938709 0.31509478663899 0.95099839516355 65.380 > 33 34 Zn 0.57633735061291 0.81509478663899 0.54900160483645 65.380 > 34 35 Zn 0.57633735061291 0.68490521336101 0.04900160483645 65.380 > 35 36 Zn 0.42366264938709 0.18490521336101 0.45099839516355 65.380 > 36 *37 Zn 0.92809215052069 0.07384544642715 0.72112418352606 65.380 > 37 38 Zn 0.07190784947931 0.57384544642715 0.77887581647394 65.380 > 38 39 Zn 0.07190784947931 0.92615455357285 0.27887581647394 65.380 > 39 40 Zn 0.92809215052069 0.42615455357285 0.22112418352606 65.380 > 40 *41 As 0.44014218120246 0.58252249376323 0.74861188869097 74.922 > 41 42 As 0.55985781879754 0.08252249376324 0.75138811130903 74.922 > 42 43 As 0.55985781879754 0.41747750623676 0.25138811130903 74.922 > 43 44 As 0.44014218120246 0.91747750623677 0.24861188869097 74.922 > 44 *45 As 0.94988869096429 0.79679031643663 0.56283647782401 74.922 > 45 46 As 0.05011130903571 0.29679031643663 0.93716352217599 74.922 > 46 47 As 0.05011130903571 0.20320968356337 0.43716352217599 74.922 > 47 48 As 0.94988869096429 0.70320968356337 0.06283647782401 74.922 > 48 *49 Sr 0.74863595283122 0.08340279833221 0.11498232065213 87.620 > 49 50 Sr 0.25136404716878 0.58340279833221 0.38501767934787 87.620 > 50 51 Sr 0.25136404716878 0.91659720166779 0.88501767934787 87.620 > 51 52 Sr 0.74863595283122 0.41659720166779 0.61498232065213 87.620 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.159989040049652 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): *1 O 0.13031070157547 0.56689202009192 0.66615562889063 15.999 > 1 2 O 0.63031070157546 0.56689202009192 0.66615562889063 15.999 > 1 3 O 0.36968929842454 0.06689202009192 0.83384437110937 15.999 > 2 4 O 0.86968929842454 0.06689202009192 0.83384437110937 15.999 > 2 5 O 0.36968929842454 0.43310797990808 0.33384437110937 15.999 > 3 6 O 0.86968929842454 0.43310797990808 0.33384437110937 15.999 > 3 7 O 0.13031070157547 0.93310797990808 0.16615562889063 15.999 > 4 8 O 0.63031070157546 0.93310797990808 0.16615562889063 15.999 > 4 *9 O 0.10867221776322 0.37065872370600 0.99797916722502 15.999 > 5 10 O 0.60867221776322 0.37065872370600 0.99797916722502 15.999 > 5 11 O 0.39132778223678 0.87065872370600 0.50202083277498 15.999 > 6 12 O 0.89132778223678 0.87065872370600 0.50202083277498 15.999 > 6 13 O 0.39132778223678 0.62934127629400 0.00202083277499 15.999 > 7 14 O 0.89132778223678 0.62934127629400 0.00202083277499 15.999 > 7 15 O 0.10867221776322 0.12934127629400 0.49797916722501 15.999 > 8 16 O 0.60867221776322 0.12934127629400 0.49797916722501 15.999 > 8 *17 O 0.28525749799993 0.29985167158541 0.11821500017141 15.999 > 9 18 O 0.78525749799993 0.29985167158541 0.11821500017141 15.999 > 9 19 O 0.21474250200007 0.79985167158541 0.38178499982859 15.999 > 10 20 O 0.71474250200007 0.79985167158541 0.38178499982859 15.999 > 10 21 O 0.21474250200007 0.70014832841459 0.88178499982859 15.999 > 11 22 O 0.71474250200007 0.70014832841459 0.88178499982859 15.999 > 11 23 O 0.28525749799993 0.20014832841459 0.61821500017141 15.999 > 12 24 O 0.78525749799993 0.20014832841459 0.61821500017141 15.999 > 12 *25 O 0.45841802050020 0.29262078484810 0.06825983751374 15.999 > 13 26 O 0.95841802050020 0.29262078484810 0.06825983751374 15.999 > 13 27 O 0.04158197949980 0.79262078484810 0.43174016248626 15.999 > 14 28 O 0.54158197949980 0.79262078484810 0.43174016248626 15.999 > 14 29 O 0.04158197949980 0.70737921515190 0.93174016248626 15.999 > 15 30 O 0.54158197949980 0.70737921515190 0.93174016248626 15.999 > 15 31 O 0.45841802050020 0.20737921515190 0.56825983751374 15.999 > 16 32 O 0.95841802050020 0.20737921515190 0.56825983751374 15.999 > 16 *33 O 0.21922264937997 0.12495001557108 0.88567538660473 15.999 > 17 34 O 0.71922264937997 0.12495001557108 0.88567538660473 15.999 > 17 35 O 0.28077735062003 0.62495001557108 0.61432461339527 15.999 > 18 36 O 0.78077735062003 0.62495001557108 0.61432461339527 15.999 > 18 37 O 0.28077735062003 0.87504998442892 0.11432461339527 15.999 > 19 38 O 0.78077735062003 0.87504998442892 0.11432461339527 15.999 > 19 39 O 0.21922264937997 0.37504998442892 0.38567538660473 15.999 > 20 40 O 0.71922264937997 0.37504998442892 0.38567538660473 15.999 > 20 *41 O 0.48613028509255 0.10324138454626 0.30201344861959 15.999 > 21 42 O 0.98613028509255 0.10324138454626 0.30201344861959 15.999 > 21 43 O 0.01386971490745 0.60324138454626 0.19798655138041 15.999 > 22 44 O 0.51386971490745 0.60324138454626 0.19798655138041 15.999 > 22 45 O 0.01386971490745 0.89675861545374 0.69798655138041 15.999 > 23 46 O 0.51386971490745 0.89675861545374 0.69798655138041 15.999 > 23 47 O 0.48613028509255 0.39675861545374 0.80201344861959 15.999 > 24 48 O 0.98613028509255 0.39675861545374 0.80201344861959 15.999 > 24 *49 O 0.26045642171056 0.06572233840790 0.31047733186194 15.999 > 25 50 O 0.76045642171056 0.06572233840790 0.31047733186194 15.999 > 25 51 O 0.23954357828944 0.56572233840790 0.18952266813806 15.999 > 26 52 O 0.73954357828944 0.56572233840790 0.18952266813806 15.999 > 26 53 O 0.23954357828944 0.93427766159210 0.68952266813806 15.999 > 27 54 O 0.73954357828944 0.93427766159210 0.68952266813806 15.999 > 27 55 O 0.26045642171056 0.43427766159210 0.81047733186194 15.999 > 28 56 O 0.76045642171056 0.43427766159210 0.81047733186194 15.999 > 28 *57 O 0.03688496953246 0.36742774096881 0.38052642797510 15.999 > 29 58 O 0.53688496953246 0.36742774096881 0.38052642797510 15.999 > 29 59 O 0.46311503046754 0.86742774096882 0.11947357202490 15.999 > 30 60 O 0.96311503046754 0.86742774096882 0.11947357202490 15.999 > 30 61 O 0.46311503046754 0.63257225903118 0.61947357202491 15.999 > 31 62 O 0.96311503046754 0.63257225903118 0.61947357202491 15.999 > 31 63 O 0.03688496953246 0.13257225903118 0.88052642797509 15.999 > 32 64 O 0.53688496953246 0.13257225903118 0.88052642797509 15.999 > 32 *65 Zn 0.21183132469355 0.31509478663899 0.95099839516355 65.380 > 33 66 Zn 0.71183132469355 0.31509478663899 0.95099839516355 65.380 > 33 67 Zn 0.28816867530645 0.81509478663899 0.54900160483645 65.380 > 34 68 Zn 0.78816867530645 0.81509478663899 0.54900160483645 65.380 > 34 69 Zn 0.28816867530645 0.68490521336101 0.04900160483645 65.380 > 35 70 Zn 0.78816867530645 0.68490521336101 0.04900160483645 65.380 > 35 71 Zn 0.21183132469355 0.18490521336101 0.45099839516355 65.380 > 36 72 Zn 0.71183132469355 0.18490521336101 0.45099839516355 65.380 > 36 *73 Zn 0.46404607526035 0.07384544642715 0.72112418352606 65.380 > 37 74 Zn 0.96404607526035 0.07384544642715 0.72112418352606 65.380 > 37 75 Zn 0.03595392473965 0.57384544642715 0.77887581647394 65.380 > 38 76 Zn 0.53595392473965 0.57384544642715 0.77887581647394 65.380 > 38 77 Zn 0.03595392473965 0.92615455357285 0.27887581647394 65.380 > 39 78 Zn 0.53595392473965 0.92615455357285 0.27887581647394 65.380 > 39 79 Zn 0.46404607526035 0.42615455357285 0.22112418352606 65.380 > 40 80 Zn 0.96404607526035 0.42615455357285 0.22112418352606 65.380 > 40 *81 As 0.22007109060123 0.58252249376323 0.74861188869097 74.922 > 41 82 As 0.72007109060123 0.58252249376323 0.74861188869097 74.922 > 41 83 As 0.27992890939877 0.08252249376324 0.75138811130903 74.922 > 42 84 As 0.77992890939877 0.08252249376324 0.75138811130903 74.922 > 42 85 As 0.27992890939877 0.41747750623676 0.25138811130903 74.922 > 43 86 As 0.77992890939877 0.41747750623676 0.25138811130903 74.922 > 43 87 As 0.22007109060123 0.91747750623677 0.24861188869097 74.922 > 44 88 As 0.72007109060123 0.91747750623677 0.24861188869097 74.922 > 44 *89 As 0.47494434548214 0.79679031643663 0.56283647782401 74.922 > 45 90 As 0.97494434548214 0.79679031643663 0.56283647782401 74.922 > 45 91 As 0.02505565451786 0.29679031643663 0.93716352217599 74.922 > 46 92 As 0.52505565451786 0.29679031643663 0.93716352217599 74.922 > 46 93 As 0.02505565451786 0.20320968356337 0.43716352217599 74.922 > 47 94 As 0.52505565451786 0.20320968356337 0.43716352217599 74.922 > 47 95 As 0.47494434548214 0.70320968356337 0.06283647782401 74.922 > 48 96 As 0.97494434548214 0.70320968356337 0.06283647782401 74.922 > 48 *97 Sr 0.37431797641561 0.08340279833221 0.11498232065213 87.620 > 49 98 Sr 0.87431797641561 0.08340279833221 0.11498232065213 87.620 > 49 99 Sr 0.12568202358439 0.58340279833221 0.38501767934787 87.620 > 50 100 Sr 0.62568202358439 0.58340279833221 0.38501767934787 87.620 > 50 101 Sr 0.12568202358439 0.91659720166779 0.88501767934787 87.620 > 51 102 Sr 0.62568202358439 0.91659720166779 0.88501767934787 87.620 > 51 103 Sr 0.37431797641561 0.41659720166779 0.61498232065213 87.620 > 52 104 Sr 0.87431797641561 0.41659720166779 0.61498232065213 87.620 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0447656 0.0000000 -0.0227121 0.0000000 3.0732973 0.0000000 -0.0226575 0.0000000 3.0305769 -------------------------- Born effective charges -------------------------- 1 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 2 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 3 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 4 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 5 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 6 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 7 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 8 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 9 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 10 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 11 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 12 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 13 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 14 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 15 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 16 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 17 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 18 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 19 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 20 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 21 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 22 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 23 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 24 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 25 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 26 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 27 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 28 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 29 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 30 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 31 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 32 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 33 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 34 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 35 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 36 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 37 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 38 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 39 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 40 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 41 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 42 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 43 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 44 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 45 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 46 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 47 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 48 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 49 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 50 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 51 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 52 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.562 Solver_block: 200 / 1600 - Time: 1.350 Solver_block: 300 / 1600 - Time: 1.350 Solver_block: 400 / 1600 - Time: 1.346 Solver_block: 500 / 1600 - Time: 1.346 Solver_block: 600 / 1600 - Time: 1.347 Solver_block: 700 / 1600 - Time: 1.344 Solver_block: 800 / 1600 - Time: 1.341 Solver_block: 900 / 1600 - Time: 1.345 Solver_block: 1000 / 1600 - Time: 1.344 Solver_block: 1100 / 1600 - Time: 1.339 Solver_block: 1200 / 1600 - Time: 1.346 Solver_block: 1300 / 1600 - Time: 1.341 Solver_block: 1400 / 1600 - Time: 1.350 Solver_block: 1500 / 1600 - Time: 1.346 Solver_block: 1600 / 1600 - Time: 1.349 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.343 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (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: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:41:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.579994520024826 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): 1 O 0.26062140315093 0.56689202009192 0.66615562889063 15.999 2 O 0.73937859684907 0.06689202009192 0.83384437110937 15.999 3 O 0.73937859684907 0.43310797990808 0.33384437110937 15.999 4 O 0.26062140315093 0.93310797990808 0.16615562889063 15.999 5 O 0.21734443552644 0.37065872370600 0.99797916722502 15.999 6 O 0.78265556447356 0.87065872370600 0.50202083277498 15.999 7 O 0.78265556447356 0.62934127629400 0.00202083277499 15.999 8 O 0.21734443552644 0.12934127629400 0.49797916722501 15.999 9 O 0.57051499599986 0.29985167158541 0.11821500017141 15.999 10 O 0.42948500400014 0.79985167158541 0.38178499982859 15.999 11 O 0.42948500400014 0.70014832841459 0.88178499982859 15.999 12 O 0.57051499599986 0.20014832841459 0.61821500017141 15.999 13 O 0.91683604100039 0.29262078484810 0.06825983751374 15.999 14 O 0.08316395899961 0.79262078484810 0.43174016248626 15.999 15 O 0.08316395899961 0.70737921515190 0.93174016248626 15.999 16 O 0.91683604100039 0.20737921515190 0.56825983751374 15.999 17 O 0.43844529875994 0.12495001557108 0.88567538660473 15.999 18 O 0.56155470124006 0.62495001557108 0.61432461339527 15.999 19 O 0.56155470124006 0.87504998442892 0.11432461339527 15.999 20 O 0.43844529875994 0.37504998442892 0.38567538660473 15.999 21 O 0.97226057018509 0.10324138454626 0.30201344861959 15.999 22 O 0.02773942981491 0.60324138454626 0.19798655138041 15.999 23 O 0.02773942981491 0.89675861545374 0.69798655138041 15.999 24 O 0.97226057018509 0.39675861545374 0.80201344861959 15.999 25 O 0.52091284342113 0.06572233840790 0.31047733186194 15.999 26 O 0.47908715657887 0.56572233840790 0.18952266813806 15.999 27 O 0.47908715657887 0.93427766159210 0.68952266813806 15.999 28 O 0.52091284342113 0.43427766159210 0.81047733186194 15.999 29 O 0.07376993906491 0.36742774096881 0.38052642797510 15.999 30 O 0.92623006093509 0.86742774096882 0.11947357202490 15.999 31 O 0.92623006093509 0.63257225903118 0.61947357202491 15.999 32 O 0.07376993906491 0.13257225903118 0.88052642797509 15.999 33 Zn 0.42366264938709 0.31509478663899 0.95099839516355 65.380 34 Zn 0.57633735061291 0.81509478663899 0.54900160483645 65.380 35 Zn 0.57633735061291 0.68490521336101 0.04900160483645 65.380 36 Zn 0.42366264938709 0.18490521336101 0.45099839516355 65.380 37 Zn 0.92809215052069 0.07384544642715 0.72112418352606 65.380 38 Zn 0.07190784947931 0.57384544642715 0.77887581647394 65.380 39 Zn 0.07190784947931 0.92615455357285 0.27887581647394 65.380 40 Zn 0.92809215052069 0.42615455357285 0.22112418352606 65.380 41 As 0.44014218120246 0.58252249376323 0.74861188869097 74.922 42 As 0.55985781879754 0.08252249376324 0.75138811130903 74.922 43 As 0.55985781879754 0.41747750623676 0.25138811130903 74.922 44 As 0.44014218120246 0.91747750623677 0.24861188869097 74.922 45 As 0.94988869096429 0.79679031643663 0.56283647782401 74.922 46 As 0.05011130903571 0.29679031643663 0.93716352217599 74.922 47 As 0.05011130903571 0.20320968356337 0.43716352217599 74.922 48 As 0.94988869096429 0.70320968356337 0.06283647782401 74.922 49 Sr 0.74863595283122 0.08340279833221 0.11498232065213 87.620 50 Sr 0.25136404716878 0.58340279833221 0.38501767934787 87.620 51 Sr 0.25136404716878 0.91659720166779 0.88501767934787 87.620 52 Sr 0.74863595283122 0.41659720166779 0.61498232065213 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.159989040049652 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): 1 O 0.13031070157547 0.56689202009192 0.66615562889063 15.999 > 1 2 O 0.63031070157546 0.56689202009192 0.66615562889063 15.999 > 1 3 O 0.36968929842454 0.06689202009192 0.83384437110937 15.999 > 3 4 O 0.86968929842454 0.06689202009192 0.83384437110937 15.999 > 3 5 O 0.36968929842454 0.43310797990808 0.33384437110937 15.999 > 5 6 O 0.86968929842454 0.43310797990808 0.33384437110937 15.999 > 5 7 O 0.13031070157547 0.93310797990808 0.16615562889063 15.999 > 7 8 O 0.63031070157546 0.93310797990808 0.16615562889063 15.999 > 7 9 O 0.10867221776322 0.37065872370600 0.99797916722502 15.999 > 9 10 O 0.60867221776322 0.37065872370600 0.99797916722502 15.999 > 9 11 O 0.39132778223678 0.87065872370600 0.50202083277498 15.999 > 11 12 O 0.89132778223678 0.87065872370600 0.50202083277498 15.999 > 11 13 O 0.39132778223678 0.62934127629400 0.00202083277499 15.999 > 13 14 O 0.89132778223678 0.62934127629400 0.00202083277499 15.999 > 13 15 O 0.10867221776322 0.12934127629400 0.49797916722501 15.999 > 15 16 O 0.60867221776322 0.12934127629400 0.49797916722501 15.999 > 15 17 O 0.28525749799993 0.29985167158541 0.11821500017141 15.999 > 17 18 O 0.78525749799993 0.29985167158541 0.11821500017141 15.999 > 17 19 O 0.21474250200007 0.79985167158541 0.38178499982859 15.999 > 19 20 O 0.71474250200007 0.79985167158541 0.38178499982859 15.999 > 19 21 O 0.21474250200007 0.70014832841459 0.88178499982859 15.999 > 21 22 O 0.71474250200007 0.70014832841459 0.88178499982859 15.999 > 21 23 O 0.28525749799993 0.20014832841459 0.61821500017141 15.999 > 23 24 O 0.78525749799993 0.20014832841459 0.61821500017141 15.999 > 23 25 O 0.45841802050020 0.29262078484810 0.06825983751374 15.999 > 25 26 O 0.95841802050020 0.29262078484810 0.06825983751374 15.999 > 25 27 O 0.04158197949980 0.79262078484810 0.43174016248626 15.999 > 27 28 O 0.54158197949980 0.79262078484810 0.43174016248626 15.999 > 27 29 O 0.04158197949980 0.70737921515190 0.93174016248626 15.999 > 29 30 O 0.54158197949980 0.70737921515190 0.93174016248626 15.999 > 29 31 O 0.45841802050020 0.20737921515190 0.56825983751374 15.999 > 31 32 O 0.95841802050020 0.20737921515190 0.56825983751374 15.999 > 31 33 O 0.21922264937997 0.12495001557108 0.88567538660473 15.999 > 33 34 O 0.71922264937997 0.12495001557108 0.88567538660473 15.999 > 33 35 O 0.28077735062003 0.62495001557108 0.61432461339527 15.999 > 35 36 O 0.78077735062003 0.62495001557108 0.61432461339527 15.999 > 35 37 O 0.28077735062003 0.87504998442892 0.11432461339527 15.999 > 37 38 O 0.78077735062003 0.87504998442892 0.11432461339527 15.999 > 37 39 O 0.21922264937997 0.37504998442892 0.38567538660473 15.999 > 39 40 O 0.71922264937997 0.37504998442892 0.38567538660473 15.999 > 39 41 O 0.48613028509255 0.10324138454626 0.30201344861959 15.999 > 41 42 O 0.98613028509255 0.10324138454626 0.30201344861959 15.999 > 41 43 O 0.01386971490745 0.60324138454626 0.19798655138041 15.999 > 43 44 O 0.51386971490745 0.60324138454626 0.19798655138041 15.999 > 43 45 O 0.01386971490745 0.89675861545374 0.69798655138041 15.999 > 45 46 O 0.51386971490745 0.89675861545374 0.69798655138041 15.999 > 45 47 O 0.48613028509255 0.39675861545374 0.80201344861959 15.999 > 47 48 O 0.98613028509255 0.39675861545374 0.80201344861959 15.999 > 47 49 O 0.26045642171056 0.06572233840790 0.31047733186194 15.999 > 49 50 O 0.76045642171056 0.06572233840790 0.31047733186194 15.999 > 49 51 O 0.23954357828944 0.56572233840790 0.18952266813806 15.999 > 51 52 O 0.73954357828944 0.56572233840790 0.18952266813806 15.999 > 51 53 O 0.23954357828944 0.93427766159210 0.68952266813806 15.999 > 53 54 O 0.73954357828944 0.93427766159210 0.68952266813806 15.999 > 53 55 O 0.26045642171056 0.43427766159210 0.81047733186194 15.999 > 55 56 O 0.76045642171056 0.43427766159210 0.81047733186194 15.999 > 55 57 O 0.03688496953246 0.36742774096881 0.38052642797510 15.999 > 57 58 O 0.53688496953246 0.36742774096881 0.38052642797510 15.999 > 57 59 O 0.46311503046754 0.86742774096882 0.11947357202490 15.999 > 59 60 O 0.96311503046754 0.86742774096882 0.11947357202490 15.999 > 59 61 O 0.46311503046754 0.63257225903118 0.61947357202491 15.999 > 61 62 O 0.96311503046754 0.63257225903118 0.61947357202491 15.999 > 61 63 O 0.03688496953246 0.13257225903118 0.88052642797509 15.999 > 63 64 O 0.53688496953246 0.13257225903118 0.88052642797509 15.999 > 63 65 Zn 0.21183132469355 0.31509478663899 0.95099839516355 65.380 > 65 66 Zn 0.71183132469355 0.31509478663899 0.95099839516355 65.380 > 65 67 Zn 0.28816867530645 0.81509478663899 0.54900160483645 65.380 > 67 68 Zn 0.78816867530645 0.81509478663899 0.54900160483645 65.380 > 67 69 Zn 0.28816867530645 0.68490521336101 0.04900160483645 65.380 > 69 70 Zn 0.78816867530645 0.68490521336101 0.04900160483645 65.380 > 69 71 Zn 0.21183132469355 0.18490521336101 0.45099839516355 65.380 > 71 72 Zn 0.71183132469355 0.18490521336101 0.45099839516355 65.380 > 71 73 Zn 0.46404607526035 0.07384544642715 0.72112418352606 65.380 > 73 74 Zn 0.96404607526035 0.07384544642715 0.72112418352606 65.380 > 73 75 Zn 0.03595392473965 0.57384544642715 0.77887581647394 65.380 > 75 76 Zn 0.53595392473965 0.57384544642715 0.77887581647394 65.380 > 75 77 Zn 0.03595392473965 0.92615455357285 0.27887581647394 65.380 > 77 78 Zn 0.53595392473965 0.92615455357285 0.27887581647394 65.380 > 77 79 Zn 0.46404607526035 0.42615455357285 0.22112418352606 65.380 > 79 80 Zn 0.96404607526035 0.42615455357285 0.22112418352606 65.380 > 79 81 As 0.22007109060123 0.58252249376323 0.74861188869097 74.922 > 81 82 As 0.72007109060123 0.58252249376323 0.74861188869097 74.922 > 81 83 As 0.27992890939877 0.08252249376324 0.75138811130903 74.922 > 83 84 As 0.77992890939877 0.08252249376324 0.75138811130903 74.922 > 83 85 As 0.27992890939877 0.41747750623676 0.25138811130903 74.922 > 85 86 As 0.77992890939877 0.41747750623676 0.25138811130903 74.922 > 85 87 As 0.22007109060123 0.91747750623677 0.24861188869097 74.922 > 87 88 As 0.72007109060123 0.91747750623677 0.24861188869097 74.922 > 87 89 As 0.47494434548214 0.79679031643663 0.56283647782401 74.922 > 89 90 As 0.97494434548214 0.79679031643663 0.56283647782401 74.922 > 89 91 As 0.02505565451786 0.29679031643663 0.93716352217599 74.922 > 91 92 As 0.52505565451786 0.29679031643663 0.93716352217599 74.922 > 91 93 As 0.02505565451786 0.20320968356337 0.43716352217599 74.922 > 93 94 As 0.52505565451786 0.20320968356337 0.43716352217599 74.922 > 93 95 As 0.47494434548214 0.70320968356337 0.06283647782401 74.922 > 95 96 As 0.97494434548214 0.70320968356337 0.06283647782401 74.922 > 95 97 Sr 0.37431797641561 0.08340279833221 0.11498232065213 87.620 > 97 98 Sr 0.87431797641561 0.08340279833221 0.11498232065213 87.620 > 97 99 Sr 0.12568202358439 0.58340279833221 0.38501767934787 87.620 > 99 100 Sr 0.62568202358439 0.58340279833221 0.38501767934787 87.620 > 99 101 Sr 0.12568202358439 0.91659720166779 0.88501767934787 87.620 > 101 102 Sr 0.62568202358439 0.91659720166779 0.88501767934787 87.620 > 101 103 Sr 0.37431797641561 0.41659720166779 0.61498232065213 87.620 > 103 104 Sr 0.87431797641561 0.41659720166779 0.61498232065213 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0447656 0.0000000 -0.0227121 0.0000000 3.0732973 0.0000000 -0.0226575 0.0000000 3.0305769 -------------------------- Born effective charges -------------------------- 1 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 2 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 3 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 4 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 5 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 6 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 7 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 8 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 9 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 10 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 11 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 12 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 13 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 14 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 15 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 16 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 17 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 18 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 19 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 20 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 21 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 22 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 23 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 24 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 25 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 26 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 27 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 28 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 29 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 30 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 31 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 32 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 33 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 34 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 35 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 36 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 37 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 38 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 39 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 40 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 41 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 42 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 43 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 44 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 45 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 46 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 47 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 48 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 49 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 50 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 51 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 52 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 81, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 2026-01-08 01:42:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.579994520024826 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): 1 O 0.26062140315093 0.56689202009192 0.66615562889063 15.999 2 O 0.73937859684907 0.06689202009192 0.83384437110937 15.999 3 O 0.73937859684907 0.43310797990808 0.33384437110937 15.999 4 O 0.26062140315093 0.93310797990808 0.16615562889063 15.999 5 O 0.21734443552644 0.37065872370600 0.99797916722502 15.999 6 O 0.78265556447356 0.87065872370600 0.50202083277498 15.999 7 O 0.78265556447356 0.62934127629400 0.00202083277499 15.999 8 O 0.21734443552644 0.12934127629400 0.49797916722501 15.999 9 O 0.57051499599986 0.29985167158541 0.11821500017141 15.999 10 O 0.42948500400014 0.79985167158541 0.38178499982859 15.999 11 O 0.42948500400014 0.70014832841459 0.88178499982859 15.999 12 O 0.57051499599986 0.20014832841459 0.61821500017141 15.999 13 O 0.91683604100039 0.29262078484810 0.06825983751374 15.999 14 O 0.08316395899961 0.79262078484810 0.43174016248626 15.999 15 O 0.08316395899961 0.70737921515190 0.93174016248626 15.999 16 O 0.91683604100039 0.20737921515190 0.56825983751374 15.999 17 O 0.43844529875994 0.12495001557108 0.88567538660473 15.999 18 O 0.56155470124006 0.62495001557108 0.61432461339527 15.999 19 O 0.56155470124006 0.87504998442892 0.11432461339527 15.999 20 O 0.43844529875994 0.37504998442892 0.38567538660473 15.999 21 O 0.97226057018509 0.10324138454626 0.30201344861959 15.999 22 O 0.02773942981491 0.60324138454626 0.19798655138041 15.999 23 O 0.02773942981491 0.89675861545374 0.69798655138041 15.999 24 O 0.97226057018509 0.39675861545374 0.80201344861959 15.999 25 O 0.52091284342113 0.06572233840790 0.31047733186194 15.999 26 O 0.47908715657887 0.56572233840790 0.18952266813806 15.999 27 O 0.47908715657887 0.93427766159210 0.68952266813806 15.999 28 O 0.52091284342113 0.43427766159210 0.81047733186194 15.999 29 O 0.07376993906491 0.36742774096881 0.38052642797510 15.999 30 O 0.92623006093509 0.86742774096882 0.11947357202490 15.999 31 O 0.92623006093509 0.63257225903118 0.61947357202491 15.999 32 O 0.07376993906491 0.13257225903118 0.88052642797509 15.999 33 Zn 0.42366264938709 0.31509478663899 0.95099839516355 65.380 34 Zn 0.57633735061291 0.81509478663899 0.54900160483645 65.380 35 Zn 0.57633735061291 0.68490521336101 0.04900160483645 65.380 36 Zn 0.42366264938709 0.18490521336101 0.45099839516355 65.380 37 Zn 0.92809215052069 0.07384544642715 0.72112418352606 65.380 38 Zn 0.07190784947931 0.57384544642715 0.77887581647394 65.380 39 Zn 0.07190784947931 0.92615455357285 0.27887581647394 65.380 40 Zn 0.92809215052069 0.42615455357285 0.22112418352606 65.380 41 As 0.44014218120246 0.58252249376323 0.74861188869097 74.922 42 As 0.55985781879754 0.08252249376324 0.75138811130903 74.922 43 As 0.55985781879754 0.41747750623676 0.25138811130903 74.922 44 As 0.44014218120246 0.91747750623677 0.24861188869097 74.922 45 As 0.94988869096429 0.79679031643663 0.56283647782401 74.922 46 As 0.05011130903571 0.29679031643663 0.93716352217599 74.922 47 As 0.05011130903571 0.20320968356337 0.43716352217599 74.922 48 As 0.94988869096429 0.70320968356337 0.06283647782401 74.922 49 Sr 0.74863595283122 0.08340279833221 0.11498232065213 87.620 50 Sr 0.25136404716878 0.58340279833221 0.38501767934787 87.620 51 Sr 0.25136404716878 0.91659720166779 0.88501767934787 87.620 52 Sr 0.74863595283122 0.41659720166779 0.61498232065213 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.159989040049652 0.000000000000000 0.000000000000000 b 0.000000000000000 9.744658509999999 0.000000000000000 c -0.327887569384010 0.000000000000000 9.282266681261852 Atomic positions (fractional): 1 O 0.13031070157547 0.56689202009192 0.66615562889063 15.999 > 1 2 O 0.63031070157546 0.56689202009192 0.66615562889063 15.999 > 1 3 O 0.36968929842454 0.06689202009192 0.83384437110937 15.999 > 3 4 O 0.86968929842454 0.06689202009192 0.83384437110937 15.999 > 3 5 O 0.36968929842454 0.43310797990808 0.33384437110937 15.999 > 5 6 O 0.86968929842454 0.43310797990808 0.33384437110937 15.999 > 5 7 O 0.13031070157547 0.93310797990808 0.16615562889063 15.999 > 7 8 O 0.63031070157546 0.93310797990808 0.16615562889063 15.999 > 7 9 O 0.10867221776322 0.37065872370600 0.99797916722502 15.999 > 9 10 O 0.60867221776322 0.37065872370600 0.99797916722502 15.999 > 9 11 O 0.39132778223678 0.87065872370600 0.50202083277498 15.999 > 11 12 O 0.89132778223678 0.87065872370600 0.50202083277498 15.999 > 11 13 O 0.39132778223678 0.62934127629400 0.00202083277499 15.999 > 13 14 O 0.89132778223678 0.62934127629400 0.00202083277499 15.999 > 13 15 O 0.10867221776322 0.12934127629400 0.49797916722501 15.999 > 15 16 O 0.60867221776322 0.12934127629400 0.49797916722501 15.999 > 15 17 O 0.28525749799993 0.29985167158541 0.11821500017141 15.999 > 17 18 O 0.78525749799993 0.29985167158541 0.11821500017141 15.999 > 17 19 O 0.21474250200007 0.79985167158541 0.38178499982859 15.999 > 19 20 O 0.71474250200007 0.79985167158541 0.38178499982859 15.999 > 19 21 O 0.21474250200007 0.70014832841459 0.88178499982859 15.999 > 21 22 O 0.71474250200007 0.70014832841459 0.88178499982859 15.999 > 21 23 O 0.28525749799993 0.20014832841459 0.61821500017141 15.999 > 23 24 O 0.78525749799993 0.20014832841459 0.61821500017141 15.999 > 23 25 O 0.45841802050020 0.29262078484810 0.06825983751374 15.999 > 25 26 O 0.95841802050020 0.29262078484810 0.06825983751374 15.999 > 25 27 O 0.04158197949980 0.79262078484810 0.43174016248626 15.999 > 27 28 O 0.54158197949980 0.79262078484810 0.43174016248626 15.999 > 27 29 O 0.04158197949980 0.70737921515190 0.93174016248626 15.999 > 29 30 O 0.54158197949980 0.70737921515190 0.93174016248626 15.999 > 29 31 O 0.45841802050020 0.20737921515190 0.56825983751374 15.999 > 31 32 O 0.95841802050020 0.20737921515190 0.56825983751374 15.999 > 31 33 O 0.21922264937997 0.12495001557108 0.88567538660473 15.999 > 33 34 O 0.71922264937997 0.12495001557108 0.88567538660473 15.999 > 33 35 O 0.28077735062003 0.62495001557108 0.61432461339527 15.999 > 35 36 O 0.78077735062003 0.62495001557108 0.61432461339527 15.999 > 35 37 O 0.28077735062003 0.87504998442892 0.11432461339527 15.999 > 37 38 O 0.78077735062003 0.87504998442892 0.11432461339527 15.999 > 37 39 O 0.21922264937997 0.37504998442892 0.38567538660473 15.999 > 39 40 O 0.71922264937997 0.37504998442892 0.38567538660473 15.999 > 39 41 O 0.48613028509255 0.10324138454626 0.30201344861959 15.999 > 41 42 O 0.98613028509255 0.10324138454626 0.30201344861959 15.999 > 41 43 O 0.01386971490745 0.60324138454626 0.19798655138041 15.999 > 43 44 O 0.51386971490745 0.60324138454626 0.19798655138041 15.999 > 43 45 O 0.01386971490745 0.89675861545374 0.69798655138041 15.999 > 45 46 O 0.51386971490745 0.89675861545374 0.69798655138041 15.999 > 45 47 O 0.48613028509255 0.39675861545374 0.80201344861959 15.999 > 47 48 O 0.98613028509255 0.39675861545374 0.80201344861959 15.999 > 47 49 O 0.26045642171056 0.06572233840790 0.31047733186194 15.999 > 49 50 O 0.76045642171056 0.06572233840790 0.31047733186194 15.999 > 49 51 O 0.23954357828944 0.56572233840790 0.18952266813806 15.999 > 51 52 O 0.73954357828944 0.56572233840790 0.18952266813806 15.999 > 51 53 O 0.23954357828944 0.93427766159210 0.68952266813806 15.999 > 53 54 O 0.73954357828944 0.93427766159210 0.68952266813806 15.999 > 53 55 O 0.26045642171056 0.43427766159210 0.81047733186194 15.999 > 55 56 O 0.76045642171056 0.43427766159210 0.81047733186194 15.999 > 55 57 O 0.03688496953246 0.36742774096881 0.38052642797510 15.999 > 57 58 O 0.53688496953246 0.36742774096881 0.38052642797510 15.999 > 57 59 O 0.46311503046754 0.86742774096882 0.11947357202490 15.999 > 59 60 O 0.96311503046754 0.86742774096882 0.11947357202490 15.999 > 59 61 O 0.46311503046754 0.63257225903118 0.61947357202491 15.999 > 61 62 O 0.96311503046754 0.63257225903118 0.61947357202491 15.999 > 61 63 O 0.03688496953246 0.13257225903118 0.88052642797509 15.999 > 63 64 O 0.53688496953246 0.13257225903118 0.88052642797509 15.999 > 63 65 Zn 0.21183132469355 0.31509478663899 0.95099839516355 65.380 > 65 66 Zn 0.71183132469355 0.31509478663899 0.95099839516355 65.380 > 65 67 Zn 0.28816867530645 0.81509478663899 0.54900160483645 65.380 > 67 68 Zn 0.78816867530645 0.81509478663899 0.54900160483645 65.380 > 67 69 Zn 0.28816867530645 0.68490521336101 0.04900160483645 65.380 > 69 70 Zn 0.78816867530645 0.68490521336101 0.04900160483645 65.380 > 69 71 Zn 0.21183132469355 0.18490521336101 0.45099839516355 65.380 > 71 72 Zn 0.71183132469355 0.18490521336101 0.45099839516355 65.380 > 71 73 Zn 0.46404607526035 0.07384544642715 0.72112418352606 65.380 > 73 74 Zn 0.96404607526035 0.07384544642715 0.72112418352606 65.380 > 73 75 Zn 0.03595392473965 0.57384544642715 0.77887581647394 65.380 > 75 76 Zn 0.53595392473965 0.57384544642715 0.77887581647394 65.380 > 75 77 Zn 0.03595392473965 0.92615455357285 0.27887581647394 65.380 > 77 78 Zn 0.53595392473965 0.92615455357285 0.27887581647394 65.380 > 77 79 Zn 0.46404607526035 0.42615455357285 0.22112418352606 65.380 > 79 80 Zn 0.96404607526035 0.42615455357285 0.22112418352606 65.380 > 79 81 As 0.22007109060123 0.58252249376323 0.74861188869097 74.922 > 81 82 As 0.72007109060123 0.58252249376323 0.74861188869097 74.922 > 81 83 As 0.27992890939877 0.08252249376324 0.75138811130903 74.922 > 83 84 As 0.77992890939877 0.08252249376324 0.75138811130903 74.922 > 83 85 As 0.27992890939877 0.41747750623676 0.25138811130903 74.922 > 85 86 As 0.77992890939877 0.41747750623676 0.25138811130903 74.922 > 85 87 As 0.22007109060123 0.91747750623677 0.24861188869097 74.922 > 87 88 As 0.72007109060123 0.91747750623677 0.24861188869097 74.922 > 87 89 As 0.47494434548214 0.79679031643663 0.56283647782401 74.922 > 89 90 As 0.97494434548214 0.79679031643663 0.56283647782401 74.922 > 89 91 As 0.02505565451786 0.29679031643663 0.93716352217599 74.922 > 91 92 As 0.52505565451786 0.29679031643663 0.93716352217599 74.922 > 91 93 As 0.02505565451786 0.20320968356337 0.43716352217599 74.922 > 93 94 As 0.52505565451786 0.20320968356337 0.43716352217599 74.922 > 93 95 As 0.47494434548214 0.70320968356337 0.06283647782401 74.922 > 95 96 As 0.97494434548214 0.70320968356337 0.06283647782401 74.922 > 95 97 Sr 0.37431797641561 0.08340279833221 0.11498232065213 87.620 > 97 98 Sr 0.87431797641561 0.08340279833221 0.11498232065213 87.620 > 97 99 Sr 0.12568202358439 0.58340279833221 0.38501767934787 87.620 > 99 100 Sr 0.62568202358439 0.58340279833221 0.38501767934787 87.620 > 99 101 Sr 0.12568202358439 0.91659720166779 0.88501767934787 87.620 > 101 102 Sr 0.62568202358439 0.91659720166779 0.88501767934787 87.620 > 101 103 Sr 0.37431797641561 0.41659720166779 0.61498232065213 87.620 > 103 104 Sr 0.87431797641561 0.41659720166779 0.61498232065213 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0447656 0.0000000 -0.0227121 0.0000000 3.0732973 0.0000000 -0.0226575 0.0000000 3.0305769 -------------------------- Born effective charges -------------------------- 1 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 2 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 3 O -2.3030246 -0.0516617 -0.1908412 -0.0420837 -1.0066262 0.0001867 -0.1317607 -0.0746553 -1.6977337 4 O -2.3030246 0.0516617 -0.1908412 0.0420837 -1.0066262 -0.0001867 -0.1317607 0.0746553 -1.6977337 5 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 6 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 7 O -2.3843615 -0.2292390 -0.1512068 -0.1714523 -1.1613825 0.0175887 -0.0756366 -0.1120095 -1.0728631 8 O -2.3843615 0.2292390 -0.1512068 0.1714523 -1.1613825 -0.0175887 -0.0756366 0.1120095 -1.0728631 9 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 10 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 11 O -1.3029356 0.1261866 -0.2672457 0.2025000 -1.6682579 -0.3759459 -0.2308219 -0.5459744 -1.9737803 12 O -1.3029356 -0.1261866 -0.2672457 -0.2025000 -1.6682579 0.3759459 -0.2308219 0.5459744 -1.9737803 13 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 14 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 15 O -1.5670860 -0.1948108 0.6001219 -0.1123859 -1.4473604 -0.1328724 0.7481810 -0.2060867 -2.0083952 16 O -1.5670860 0.1948108 0.6001219 0.1123859 -1.4473604 0.1328724 0.7481810 0.2060867 -2.0083952 17 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 18 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 19 O -1.6157651 0.1586573 0.4628443 0.1318166 -1.7986495 -0.4607683 0.5121607 -0.3587734 -1.7112556 20 O -1.6157651 -0.1586573 0.4628443 -0.1318166 -1.7986495 0.4607683 0.5121607 0.3587734 -1.7112556 21 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 22 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 23 O -1.3645464 -0.0126035 -0.3578183 -0.0907060 -1.9924532 -0.6228140 -0.4285991 -0.4348598 -1.7334794 24 O -1.3645464 0.0126035 -0.3578183 0.0907060 -1.9924532 0.6228140 -0.4285991 0.4348598 -1.7334794 25 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 26 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 27 O -1.3340880 -0.1393102 0.1837716 -0.2092936 -2.0624754 -0.5586559 0.1678900 -0.4275498 -1.4619973 28 O -1.3340880 0.1393102 0.1837716 0.2092936 -2.0624754 0.5586559 0.1678900 0.4275498 -1.4619973 29 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 30 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 31 O -1.3602512 0.0092630 -0.2071680 -0.1997623 -2.3676594 0.4902513 -0.1223128 0.5795848 -1.4973963 32 O -1.3602512 -0.0092630 -0.2071680 0.1997623 -2.3676594 -0.4902513 -0.1223128 -0.5795848 -1.4973963 33 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 34 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 35 Zn 2.1014946 -0.3069160 -0.0050130 0.2348455 2.0524210 -0.0979793 0.2215735 0.1358652 2.0755703 36 Zn 2.1014946 0.3069160 -0.0050130 -0.2348455 2.0524210 0.0979793 0.2215735 -0.1358652 2.0755703 37 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 38 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 39 Zn 1.9324688 0.1808049 -0.2782256 0.0377810 2.0764483 0.2687982 0.0416639 -0.0239362 2.0515935 40 Zn 1.9324688 -0.1808049 -0.2782256 -0.0377810 2.0764483 -0.2687982 0.0416639 0.0239362 2.0515935 41 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 42 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 43 As 3.2010740 0.1709133 0.1220226 -0.0964998 3.0225818 -0.2761380 -0.1950752 0.1766726 3.2515619 44 As 3.2010740 -0.1709133 0.1220226 0.0964998 3.0225818 0.2761380 -0.1950752 -0.1766726 3.2515619 45 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 46 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 47 As 3.0864784 -0.4687813 -0.0119379 0.2985520 3.3514855 0.1558337 -0.4957114 -0.2005168 3.2111069 48 As 3.0864784 0.4687813 -0.0119379 -0.2985520 3.3514855 -0.1558337 -0.4957114 0.2005168 3.2111069 49 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 50 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 51 Sr 2.9105427 0.2207338 0.1006961 0.0671361 3.0019279 -0.2133587 -0.0115513 -0.2513695 2.5670683 52 Sr 2.9105427 -0.2207338 0.1006961 -0.0671361 3.0019279 0.2133587 -0.0115513 0.2513695 2.5670683 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 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 1.382 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.033 ( 0.000 0.000 0.000) 0.000 12.066 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.223 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.431 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.283 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.425 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 13.919 ( 0.000 0.000 0.000) 0.000 14.009 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.090 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.569 ( 0.000 0.000 0.000) 0.000 14.962 ( 0.000 0.000 0.000) 0.000 15.043 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 0.000) 0.000 15.689 ( 0.000 0.000 0.000) 0.000 15.986 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 22.160 ( 0.000 0.000 0.000) 0.000 22.187 ( 0.000 0.000 0.000) 0.000 22.400 ( 0.000 0.000 0.000) 0.000 22.553 ( 0.000 0.000 0.000) 0.000 22.633 ( 0.000 0.000 0.000) 0.000 22.716 ( 0.000 0.000 0.000) 0.000 22.742 ( 0.000 0.000 0.000) 0.000 22.828 ( 0.000 0.000 0.000) 0.000 22.914 ( 0.000 0.000 0.000) 0.000 23.059 ( 0.000 0.000 0.000) 0.000 23.230 ( 0.000 0.000 0.000) 0.000 23.261 ( 0.000 0.000 0.000) 0.000 23.354 ( 0.000 0.000 0.000) 0.000 23.367 ( 0.000 0.000 0.000) 0.000 23.691 ( 0.000 0.000 0.000) 0.000 23.826 ( 0.000 0.000 0.000) 0.000 23.861 ( 0.000 0.000 0.000) 0.000 23.944 ( 0.000 0.000 0.000) 0.000 23.991 ( 0.000 0.000 0.000) 0.000 24.019 ( 0.000 0.000 0.000) 0.000 24.055 ( 0.000 0.000 0.000) 0.000 24.115 ( 0.000 0.000 0.000) 0.000 24.156 ( 0.000 0.000 0.000) 0.000 24.209 ( 0.000 0.000 0.000) 0.000 24.311 ( 0.000 0.000 0.000) 0.000 24.386 ( 0.000 0.000 0.000) 0.000 24.587 ( 0.000 0.000 0.000) 0.000 24.858 ( 0.000 0.000 0.000) 0.000 25.054 ( 0.000 0.000 0.000) 0.000 25.152 ( 0.000 0.000 0.000) 0.000 25.176 ( 0.000 0.000 0.000) 0.000 25.204 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 19.600 0.000 5.909) 20.471 0.477 ( 24.499 0.000 -4.400) 24.891 0.873 ( 42.268 0.000 -3.943) 42.452 1.397 ( -1.101 0.000 2.250) 2.505 1.432 ( 4.576 0.000 3.444) 5.728 1.664 ( 16.794 0.000 -6.514) 18.013 1.833 ( -4.715 0.000 2.750) 5.458 1.834 ( 6.387 0.000 5.431) 8.384 2.041 ( -1.514 0.000 2.437) 2.869 2.144 ( 1.340 0.000 0.136) 1.347 2.192 ( -2.525 0.000 0.227) 2.535 2.232 ( -8.588 0.000 2.777) 9.026 2.301 ( 0.251 0.000 -1.138) 1.165 2.362 ( 1.243 0.000 2.779) 3.044 2.443 ( -0.822 0.000 -2.019) 2.180 2.473 ( -3.038 0.000 -0.311) 3.054 2.568 ( -0.370 0.000 -1.787) 1.825 2.616 ( -4.754 0.000 -0.849) 4.830 2.660 ( 4.242 0.000 -2.242) 4.798 2.727 ( 0.486 0.000 -4.668) 4.694 2.758 ( -7.834 0.000 -1.299) 7.941 2.867 ( -0.362 0.000 2.008) 2.040 2.912 ( -3.618 0.000 -3.797) 5.245 2.970 ( -1.057 0.000 -4.269) 4.398 2.992 ( -3.190 0.000 6.593) 7.324 3.043 ( 4.913 0.000 -2.504) 5.515 3.156 ( 0.427 0.000 -0.580) 0.720 3.297 ( -0.865 0.000 -2.935) 3.059 3.352 ( -5.417 0.000 3.272) 6.329 3.423 ( 5.153 0.000 0.931) 5.237 3.428 ( 0.544 0.000 -1.493) 1.589 3.543 ( -0.926 0.000 -1.348) 1.636 3.654 ( -1.826 0.000 5.745) 6.028 3.796 ( -7.325 0.000 -4.887) 8.806 3.804 ( -0.180 0.000 5.459) 5.462 3.929 ( -1.061 0.000 -2.591) 2.799 3.931 ( -3.873 0.000 6.303) 7.397 4.034 ( -0.314 0.000 10.613) 10.618 4.068 ( 5.102 0.000 2.531) 5.695 4.123 ( 5.937 0.000 -1.382) 6.096 4.149 ( -4.041 0.000 1.011) 4.166 4.197 ( 2.408 0.000 -0.472) 2.454 4.277 ( 3.668 0.000 -2.051) 4.202 4.323 ( 4.690 0.000 -1.954) 5.081 4.457 ( 3.550 0.000 -5.605) 6.635 4.483 ( 1.618 0.000 -2.624) 3.082 4.662 ( -16.237 0.000 -0.452) 16.243 4.848 ( -5.638 0.000 -2.428) 6.139 4.886 ( -0.117 0.000 -4.140) 4.142 4.917 ( -1.289 0.000 5.216) 5.373 4.955 ( 0.439 0.000 -0.766) 0.883 4.960 ( 3.519 0.000 -1.336) 3.764 5.063 ( -4.838 0.000 1.451) 5.051 5.179 ( -2.078 0.000 3.483) 4.055 5.293 ( 2.387 0.000 1.048) 2.607 5.408 ( 6.099 0.000 -5.733) 8.371 5.494 ( 6.850 0.000 1.511) 7.014 5.558 ( 1.020 0.000 -0.065) 1.023 5.684 ( 0.436 0.000 0.146) 0.459 5.796 ( -0.565 0.000 -0.652) 0.863 5.933 ( -0.157 0.000 -1.442) 1.450 6.033 ( -4.218 0.000 1.619) 4.519 6.216 ( -5.933 0.000 4.458) 7.422 6.310 ( 8.161 0.000 -4.482) 9.310 6.437 ( -1.920 0.000 0.065) 1.921 6.649 ( 1.854 0.000 0.345) 1.886 6.728 ( -4.719 0.000 4.068) 6.230 6.822 ( -0.120 0.000 0.349) 0.369 6.927 ( 1.898 0.000 15.573) 15.689 7.162 ( 0.638 0.000 -1.034) 1.215 7.258 ( -0.778 0.000 -6.617) 6.662 7.312 ( 1.995 0.000 -1.597) 2.556 7.844 ( -1.651 0.000 -0.540) 1.737 7.879 ( 0.459 0.000 1.724) 1.784 8.088 ( 2.518 0.000 1.207) 2.793 8.103 ( -0.780 0.000 0.644) 1.011 8.223 ( -0.694 0.000 1.836) 1.963 8.230 ( 0.418 0.000 -8.857) 8.867 8.456 ( 1.012 0.000 -2.756) 2.936 8.751 ( 0.321 0.000 0.379) 0.497 9.066 ( 0.244 0.000 0.099) 0.264 9.203 ( -1.238 0.000 1.987) 2.341 9.301 ( -2.027 0.000 -0.568) 2.105 9.325 ( 0.090 0.000 -2.227) 2.228 9.390 ( 3.308 0.000 -3.080) 4.520 9.397 ( 1.494 0.000 -0.361) 1.537 9.603 ( -0.643 0.000 3.088) 3.154 9.701 ( -3.107 0.000 6.191) 6.927 9.766 ( 0.956 0.000 -2.423) 2.605 9.829 ( 0.102 0.000 0.158) 0.188 10.202 ( -1.225 0.000 0.724) 1.423 10.242 ( 0.720 0.000 -7.042) 7.079 11.850 ( 0.223 0.000 -0.116) 0.251 12.025 ( -0.284 0.000 1.000) 1.039 12.041 ( 0.691 0.000 0.041) 0.693 12.082 ( 1.486 0.000 1.112) 1.856 12.181 ( -1.695 0.000 -0.819) 1.883 12.284 ( -1.614 0.000 -8.325) 8.480 12.329 ( -2.856 0.000 -1.296) 3.136 12.442 ( 0.640 0.000 0.663) 0.921 13.184 ( 2.158 0.000 0.037) 2.158 13.207 ( -0.689 0.000 -0.331) 0.764 13.298 ( 2.010 0.000 -1.045) 2.265 13.346 ( 1.394 0.000 -1.329) 1.926 13.422 ( -0.112 0.000 1.722) 1.725 13.483 ( -2.587 0.000 13.200) 13.451 13.553 ( 2.616 0.000 -1.457) 2.994 13.779 ( 2.393 0.000 0.696) 2.492 13.931 ( 1.039 0.000 0.905) 1.378 14.012 ( 0.509 0.000 -0.559) 0.756 14.078 ( -0.199 0.000 0.846) 0.869 14.086 ( -0.768 0.000 -1.118) 1.357 14.228 ( 1.307 0.000 -0.216) 1.325 14.297 ( -3.843 0.000 0.917) 3.951 14.318 ( 0.084 0.000 -6.565) 6.565 14.651 ( 6.352 0.000 -4.578) 7.830 14.937 ( -2.363 0.000 3.374) 4.120 15.066 ( 2.341 0.000 -2.176) 3.196 15.335 ( -2.555 0.000 -1.144) 2.800 15.662 ( -2.739 0.000 1.003) 2.917 15.680 ( 3.336 0.000 0.374) 3.357 15.865 ( -0.348 0.000 22.956) 22.959 15.965 ( -2.444 0.000 0.670) 2.534 15.995 ( -0.306 0.000 -11.908) 11.912 22.158 ( -0.107 0.000 0.072) 0.129 22.187 ( 0.054 0.000 -0.372) 0.376 22.405 ( -0.815 0.000 -5.256) 5.319 22.555 ( -0.265 0.000 -1.029) 1.063 22.613 ( -0.819 0.000 -0.713) 1.086 22.734 ( 0.864 0.000 2.641) 2.779 22.740 ( -0.119 0.000 0.217) 0.248 22.902 ( 1.227 0.000 -8.673) 8.760 22.916 ( 0.222 0.000 -0.753) 0.785 23.214 ( -1.678 0.000 -1.450) 2.217 23.254 ( -0.668 0.000 0.515) 0.843 23.306 ( -4.044 0.000 -0.722) 4.108 23.344 ( -1.152 0.000 1.083) 1.581 23.583 ( 2.657 0.000 -6.601) 7.115 23.680 ( -1.233 0.000 -1.159) 1.692 23.812 ( -3.166 0.000 -2.951) 4.328 23.940 ( -2.954 0.000 2.168) 3.664 23.972 ( 1.383 0.000 -4.371) 4.585 24.032 ( 1.109 0.000 -1.505) 1.869 24.044 ( 1.061 0.000 0.050) 1.062 24.063 ( 0.637 0.000 0.179) 0.662 24.173 ( 1.621 0.000 -0.044) 1.622 24.211 ( 0.330 0.000 -1.367) 1.406 24.307 ( -1.270 0.000 -0.253) 1.295 24.445 ( 5.715 0.000 1.631) 5.943 24.475 ( -2.817 0.000 11.190) 11.539 24.615 ( -6.859 0.000 -2.672) 7.361 24.859 ( -0.078 0.000 1.599) 1.600 25.046 ( -0.515 0.000 -1.213) 1.318 25.237 ( 2.906 0.000 -1.081) 3.100 25.262 ( 9.051 0.000 -2.079) 9.287 25.762 ( -2.342 0.000 7.781) 8.126 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 18.876 0.000 5.572) 19.681 0.941 ( 23.378 0.000 -3.361) 23.618 1.279 ( -4.181 0.000 -2.350) 4.796 1.546 ( 6.496 0.000 3.682) 7.467 1.623 ( 22.725 0.000 -4.192) 23.109 1.698 ( -10.628 0.000 1.170) 10.692 1.869 ( -12.198 0.000 1.979) 12.358 1.989 ( 9.047 0.000 1.374) 9.151 2.028 ( 17.944 0.000 -2.829) 18.166 2.093 ( -6.833 0.000 8.420) 10.843 2.184 ( 3.978 0.000 -0.853) 4.069 2.211 ( 3.863 0.000 2.681) 4.702 2.295 ( 3.148 0.000 1.085) 3.330 2.344 ( 0.121 0.000 -9.621) 9.622 2.419 ( -4.947 0.000 1.765) 5.253 2.486 ( 1.318 0.000 -3.585) 3.819 2.529 ( -2.228 0.000 1.317) 2.588 2.552 ( -5.199 0.000 1.960) 5.556 2.639 ( 0.336 0.000 -2.153) 2.179 2.732 ( -3.113 0.000 3.847) 4.948 2.747 ( 5.106 0.000 0.568) 5.137 2.814 ( 0.359 0.000 -0.031) 0.361 2.854 ( -4.265 0.000 -1.451) 4.505 2.930 ( -0.319 0.000 -0.974) 1.025 3.060 ( -4.770 0.000 0.496) 4.795 3.078 ( 7.071 0.000 -5.390) 8.891 3.148 ( 1.976 0.000 -0.554) 2.052 3.193 ( -5.019 0.000 -7.443) 8.977 3.254 ( -6.139 0.000 9.237) 11.091 3.463 ( 5.466 0.000 0.670) 5.507 3.474 ( -0.795 0.000 -1.758) 1.929 3.517 ( -2.903 0.000 -1.466) 3.252 3.697 ( -19.884 0.000 5.035) 20.512 3.706 ( 0.843 0.000 -1.769) 1.960 3.718 ( 5.344 0.000 -0.008) 5.344 3.819 ( -0.700 0.000 2.081) 2.196 3.911 ( -0.508 0.000 -1.814) 1.884 3.996 ( -6.446 0.000 5.870) 8.718 4.067 ( -5.118 0.000 2.391) 5.649 4.139 ( 1.900 0.000 0.916) 2.110 4.175 ( -1.297 0.000 3.574) 3.802 4.262 ( 7.137 0.000 -1.846) 7.372 4.339 ( 3.238 0.000 -0.269) 3.249 4.384 ( -5.680 0.000 -3.755) 6.809 4.421 ( 3.678 0.000 -4.160) 5.553 4.524 ( 1.714 0.000 -3.032) 3.483 4.540 ( 3.088 0.000 -1.855) 3.602 4.754 ( -6.107 0.000 0.372) 6.118 4.859 ( -2.176 0.000 0.323) 2.199 4.905 ( -0.453 0.000 0.375) 0.588 4.943 ( -0.412 0.000 2.647) 2.679 4.973 ( 1.216 0.000 -0.440) 1.293 5.052 ( -0.239 0.000 -2.713) 2.723 5.168 ( 1.518 0.000 0.210) 1.532 5.346 ( 2.213 0.000 1.339) 2.587 5.545 ( 7.838 0.000 -5.220) 9.417 5.558 ( 2.397 0.000 1.730) 2.956 5.604 ( 1.690 0.000 -1.367) 2.174 5.677 ( -0.719 0.000 1.882) 2.014 5.784 ( -0.554 0.000 0.226) 0.598 5.929 ( -5.545 0.000 -0.048) 5.546 5.959 ( 1.950 0.000 -1.484) 2.450 6.077 ( -8.063 0.000 7.166) 10.787 6.398 ( -1.771 0.000 0.117) 1.775 6.466 ( 6.119 0.000 -2.836) 6.744 6.670 ( -0.341 0.000 0.489) 0.596 6.681 ( 1.239 0.000 0.399) 1.301 6.820 ( -0.073 0.000 0.376) 0.383 6.937 ( -1.612 0.000 6.006) 6.218 7.172 ( 0.391 0.000 -1.091) 1.159 7.239 ( -0.675 0.000 -2.348) 2.444 7.348 ( 1.478 0.000 -0.451) 1.545 7.814 ( -1.137 0.000 -0.640) 1.304 7.891 ( 0.510 0.000 1.752) 1.824 8.089 ( -0.639 0.000 0.665) 0.922 8.145 ( 2.789 0.000 1.949) 3.403 8.213 ( -0.381 0.000 1.454) 1.503 8.230 ( -0.003 0.000 -4.655) 4.655 8.471 ( 0.602 0.000 -2.431) 2.504 8.754 ( -0.014 0.000 0.383) 0.383 9.075 ( 0.619 0.000 0.211) 0.654 9.187 ( -0.523 0.000 1.008) 1.136 9.255 ( -2.307 0.000 -0.390) 2.340 9.326 ( 0.119 0.000 -1.139) 1.145 9.428 ( 1.497 0.000 0.317) 1.530 9.460 ( 3.983 0.000 -5.075) 6.452 9.592 ( -0.558 0.000 0.960) 1.110 9.634 ( -4.041 0.000 6.314) 7.496 9.780 ( 0.549 0.000 -0.616) 0.825 9.832 ( 0.084 0.000 0.103) 0.133 10.177 ( -1.147 0.000 0.364) 1.203 10.250 ( 0.411 0.000 -2.555) 2.588 11.855 ( 0.284 0.000 -0.142) 0.317 12.021 ( -0.206 0.000 0.490) 0.531 12.059 ( 1.026 0.000 0.835) 1.322 12.121 ( 2.227 0.000 1.623) 2.755 12.142 ( -1.905 0.000 -1.031) 2.166 12.244 ( -1.713 0.000 -3.217) 3.645 12.268 ( -3.075 0.000 -1.524) 3.432 12.450 ( 0.154 0.000 0.419) 0.446 13.196 ( -0.444 0.000 -0.244) 0.506 13.234 ( 2.618 0.000 0.121) 2.620 13.329 ( 1.084 0.000 -0.842) 1.373 13.369 ( 0.716 0.000 -2.050) 2.172 13.425 ( 0.215 0.000 0.910) 0.935 13.440 ( -2.089 0.000 6.785) 7.100 13.611 ( 2.904 0.000 -0.991) 3.068 13.824 ( 1.849 0.000 0.987) 2.096 13.942 ( -0.258 0.000 0.024) 0.259 14.029 ( 0.957 0.000 -0.164) 0.971 14.074 ( 0.013 0.000 0.171) 0.172 14.092 ( 1.438 0.000 0.181) 1.450 14.236 ( -2.382 0.000 0.211) 2.392 14.253 ( 1.198 0.000 0.336) 1.244 14.310 ( -0.618 0.000 -2.842) 2.908 14.735 ( 1.326 0.000 -2.794) 3.093 14.912 ( 0.616 0.000 2.294) 2.376 15.120 ( 3.015 0.000 -2.513) 3.926 15.291 ( -1.575 0.000 -0.880) 1.804 15.597 ( -3.426 0.000 1.301) 3.665 15.746 ( 3.113 0.000 0.528) 3.157 15.876 ( 0.259 0.000 9.264) 9.268 15.906 ( -3.312 0.000 0.577) 3.361 15.978 ( -0.666 0.000 -5.599) 5.639 22.157 ( -0.032 0.000 0.081) 0.087 22.188 ( 0.067 0.000 -0.390) 0.396 22.383 ( -1.029 0.000 -1.363) 1.708 22.530 ( -1.629 0.000 -1.090) 1.960 22.631 ( 2.280 0.000 -0.550) 2.345 22.732 ( -1.444 0.000 2.553) 2.933 22.741 ( 0.127 0.000 0.135) 0.185 22.920 ( 0.356 0.000 -2.420) 2.446 22.923 ( 0.985 0.000 -1.475) 1.774 23.173 ( -1.963 0.000 -1.038) 2.220 23.222 ( -2.561 0.000 -0.791) 2.680 23.251 ( -0.834 0.000 0.789) 1.147 23.342 ( 0.612 0.000 1.063) 1.226 23.603 ( -0.361 0.000 0.026) 0.362 23.642 ( -2.140 0.000 -1.899) 2.861 23.769 ( -0.958 0.000 -1.228) 1.558 23.861 ( -3.878 0.000 0.579) 3.921 24.002 ( 1.392 0.000 -3.118) 3.415 24.050 ( 0.700 0.000 -1.401) 1.566 24.084 ( 2.024 0.000 0.725) 2.149 24.090 ( 1.947 0.000 2.658) 3.295 24.204 ( 1.400 0.000 -0.461) 1.474 24.221 ( 0.912 0.000 -2.840) 2.983 24.272 ( -2.020 0.000 0.384) 2.057 24.413 ( -3.280 0.000 1.711) 3.699 24.501 ( -4.427 0.000 2.207) 4.947 24.564 ( 5.465 0.000 1.163) 5.588 24.850 ( -1.027 0.000 1.419) 1.752 25.040 ( -0.036 0.000 -1.221) 1.222 25.292 ( 2.439 0.000 -0.944) 2.616 25.441 ( 8.905 0.000 -2.965) 9.386 25.700 ( -4.410 0.000 4.620) 6.386 ======================= Grid point 3 (4/48) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.000 0.000 -0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.338 ( -0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 -0.000) 0.000 1.817 ( 0.000 0.000 -0.000) 0.000 2.016 ( 0.000 0.000 -0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.322 ( -0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 -0.000) 0.000 2.328 ( 0.000 0.000 -0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 -0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 -0.000) 0.000 2.694 ( 0.000 0.000 -0.000) 0.000 2.843 ( 0.000 0.000 -0.000) 0.000 2.897 ( 0.000 0.000 -0.000) 0.000 2.909 ( -0.000 0.000 -0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 -0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.268 ( -0.000 0.000 -0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.362 ( -0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 -0.000) 0.000 3.776 ( 0.000 0.000 -0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.874 ( -0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 -0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 -0.000) 0.000 4.347 ( 0.000 0.000 -0.000) 0.000 4.357 ( 0.000 0.000 -0.000) 0.000 4.360 ( -0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 -0.000) 0.000 4.549 ( 0.000 0.000 -0.000) 0.000 4.571 ( 0.000 0.000 -0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 -0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 -0.000) 0.000 5.020 ( -0.000 0.000 -0.000) 0.000 5.205 ( 0.000 0.000 -0.000) 0.000 5.362 ( -0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 -0.000) 0.000 5.662 ( 0.000 0.000 -0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 -0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.379 ( 0.000 0.000 -0.000) 0.000 6.511 ( 0.000 0.000 -0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 -0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 -0.000) 0.000 7.232 ( 0.000 0.000 -0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 -0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 -0.000) 0.000 8.210 ( 0.000 0.000 -0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 -0.000) 0.000 9.183 ( 0.000 0.000 -0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 -0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 -0.000) 0.000 9.586 ( 0.000 0.000 -0.000) 0.000 9.785 ( 0.000 0.000 -0.000) 0.000 9.832 ( 0.000 0.000 -0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 -0.000) 0.000 12.074 ( 0.000 0.000 -0.000) 0.000 12.119 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 -0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 -0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 -0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 -0.000) 0.000 13.935 ( 0.000 0.000 -0.000) 0.000 14.037 ( 0.000 0.000 0.000) 0.000 14.080 ( 0.000 0.000 -0.000) 0.000 14.113 ( 0.000 0.000 -0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 -0.000) 0.000 14.297 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 -0.000) 0.000 15.558 ( 0.000 0.000 -0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 0.000 -0.000) 0.000 15.883 ( 0.000 0.000 -0.000) 0.000 15.968 ( 0.000 0.000 0.000) 0.000 22.157 ( 0.000 0.000 0.000) 0.000 22.189 ( 0.000 0.000 0.000) 0.000 22.371 ( 0.000 0.000 0.000) 0.000 22.511 ( 0.000 0.000 -0.000) 0.000 22.678 ( 0.000 0.000 0.000) 0.000 22.693 ( 0.000 0.000 -0.000) 0.000 22.742 ( 0.000 0.000 -0.000) 0.000 22.922 ( 0.000 0.000 -0.000) 0.000 22.934 ( 0.000 0.000 -0.000) 0.000 23.151 ( 0.000 0.000 0.000) 0.000 23.195 ( 0.000 0.000 0.000) 0.000 23.245 ( 0.000 0.000 0.000) 0.000 23.352 ( 0.000 0.000 0.000) 0.000 23.593 ( 0.000 0.000 0.000) 0.000 23.617 ( 0.000 0.000 -0.000) 0.000 23.763 ( 0.000 0.000 0.000) 0.000 23.819 ( 0.000 0.000 -0.000) 0.000 24.014 ( 0.000 0.000 -0.000) 0.000 24.056 ( 0.000 0.000 0.000) 0.000 24.106 ( 0.000 0.000 -0.000) 0.000 24.116 ( 0.000 0.000 0.000) 0.000 24.223 ( 0.000 0.000 0.000) 0.000 24.235 ( 0.000 0.000 -0.000) 0.000 24.244 ( 0.000 0.000 -0.000) 0.000 24.378 ( 0.000 0.000 -0.000) 0.000 24.454 ( 0.000 0.000 0.000) 0.000 24.625 ( 0.000 0.000 0.000) 0.000 24.835 ( 0.000 0.000 -0.000) 0.000 25.040 ( 0.000 0.000 -0.000) 0.000 25.317 ( 0.000 0.000 0.000) 0.000 25.580 ( 0.000 0.000 -0.000) 0.000 25.607 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 22.421 0.000) 22.421 0.582 ( 0.000 27.096 0.000) 27.096 1.009 ( 0.000 44.256 0.000) 44.256 1.377 ( 0.000 3.852 0.000) 3.852 1.432 ( 0.000 -2.716 0.000) 2.716 1.573 ( 0.000 12.239 0.000) 12.239 1.695 ( 0.000 -3.990 0.000) 3.990 1.961 ( 0.000 5.392 0.000) 5.392 2.004 ( 0.000 -1.930 0.000) 1.930 2.098 ( 0.000 -8.667 0.000) 8.667 2.149 ( 0.000 -3.067 0.000) 3.067 2.273 ( 0.000 -1.167 0.000) 1.167 2.301 ( 0.000 -1.121 0.000) 1.121 2.368 ( 0.000 -0.725 0.000) 0.725 2.404 ( 0.000 0.091 0.000) 0.091 2.499 ( 0.000 -0.431 0.000) 0.431 2.545 ( 0.000 -4.691 0.000) 4.691 2.628 ( 0.000 -0.198 0.000) 0.198 2.690 ( 0.000 -0.918 0.000) 0.918 2.709 ( 0.000 -3.732 0.000) 3.732 2.804 ( 0.000 -3.610 0.000) 3.610 2.826 ( 0.000 -9.288 0.000) 9.288 2.926 ( 0.000 7.012 0.000) 7.012 2.938 ( 0.000 -0.673 0.000) 0.673 2.940 ( 0.000 -0.682 0.000) 0.682 3.133 ( 0.000 3.653 0.000) 3.653 3.134 ( 0.000 -0.671 0.000) 0.671 3.237 ( 0.000 -2.777 0.000) 2.777 3.356 ( 0.000 -4.413 0.000) 4.413 3.368 ( 0.000 0.819 0.000) 0.819 3.497 ( 0.000 9.211 0.000) 9.211 3.542 ( 0.000 -8.085 0.000) 8.085 3.669 ( 0.000 -5.297 0.000) 5.297 3.717 ( 0.000 4.111 0.000) 4.111 3.859 ( 0.000 -1.559 0.000) 1.559 3.947 ( 0.000 -0.919 0.000) 0.919 4.041 ( 0.000 1.250 0.000) 1.250 4.055 ( 0.000 -4.212 0.000) 4.212 4.113 ( 0.000 4.903 0.000) 4.903 4.141 ( 0.000 9.002 0.000) 9.002 4.205 ( 0.000 2.503 0.000) 2.503 4.217 ( 0.000 3.476 0.000) 3.476 4.308 ( 0.000 3.512 0.000) 3.512 4.399 ( 0.000 3.625 0.000) 3.625 4.405 ( 0.000 -0.733 0.000) 0.733 4.665 ( 0.000 4.047 0.000) 4.047 4.729 ( 0.000 -4.011 0.000) 4.011 4.826 ( 0.000 -8.814 0.000) 8.814 4.852 ( 0.000 -1.644 0.000) 1.644 4.904 ( 0.000 -3.480 0.000) 3.480 4.944 ( 0.000 1.013 0.000) 1.013 5.031 ( 0.000 3.359 0.000) 3.359 5.162 ( 0.000 -0.772 0.000) 0.772 5.260 ( 0.000 1.603 0.000) 1.603 5.301 ( 0.000 -2.861 0.000) 2.861 5.362 ( 0.000 0.463 0.000) 0.463 5.403 ( 0.000 3.748 0.000) 3.748 5.537 ( 0.000 -2.172 0.000) 2.172 5.563 ( 0.000 -0.267 0.000) 0.267 5.811 ( 0.000 -5.658 0.000) 5.658 5.986 ( 0.000 -2.402 0.000) 2.402 5.999 ( 0.000 2.489 0.000) 2.489 6.064 ( 0.000 -1.931 0.000) 1.931 6.231 ( 0.000 -3.302 0.000) 3.302 6.427 ( 0.000 3.704 0.000) 3.704 6.548 ( 0.000 8.391 0.000) 8.391 6.635 ( 0.000 -0.596 0.000) 0.596 6.813 ( 0.000 1.168 0.000) 1.168 7.073 ( 0.000 -1.922 0.000) 1.922 7.169 ( 0.000 1.080 0.000) 1.080 7.219 ( 0.000 -5.202 0.000) 5.202 7.274 ( 0.000 -1.884 0.000) 1.884 7.851 ( 0.000 0.074 0.000) 0.074 7.895 ( 0.000 1.841 0.000) 1.841 8.014 ( 0.000 -3.576 0.000) 3.576 8.120 ( 0.000 -0.900 0.000) 0.900 8.162 ( 0.000 1.187 0.000) 1.187 8.280 ( 0.000 4.486 0.000) 4.486 8.372 ( 0.000 -6.448 0.000) 6.448 8.692 ( 0.000 -5.065 0.000) 5.065 9.084 ( 0.000 1.747 0.000) 1.747 9.292 ( 0.000 -2.990 0.000) 2.990 9.301 ( 0.000 1.212 0.000) 1.212 9.359 ( 0.000 2.996 0.000) 2.996 9.372 ( 0.000 -0.522 0.000) 0.522 9.502 ( 0.000 2.608 0.000) 2.608 9.507 ( 0.000 -1.553 0.000) 1.553 9.722 ( 0.000 -2.166 0.000) 2.166 9.799 ( 0.000 1.090 0.000) 1.090 9.831 ( 0.000 0.318 0.000) 0.318 10.191 ( 0.000 0.102 0.000) 0.102 10.211 ( 0.000 -0.472 0.000) 0.472 12.015 ( 0.000 -0.413 0.000) 0.413 12.041 ( 0.000 0.572 0.000) 0.572 12.105 ( 0.000 2.480 0.000) 2.480 12.155 ( 0.000 -1.043 0.000) 1.043 12.216 ( 0.000 1.027 0.000) 1.027 12.230 ( 0.000 0.472 0.000) 0.472 12.374 ( 0.000 1.057 0.000) 1.057 12.518 ( 0.000 -1.636 0.000) 1.636 13.141 ( 0.000 -1.330 0.000) 1.330 13.226 ( 0.000 0.877 0.000) 0.877 13.282 ( 0.000 -4.315 0.000) 4.315 13.287 ( 0.000 0.545 0.000) 0.545 13.360 ( 0.000 -1.080 0.000) 1.080 13.387 ( 0.000 -3.281 0.000) 3.281 13.585 ( 0.000 4.932 0.000) 4.932 13.767 ( 0.000 0.945 0.000) 0.945 13.946 ( 0.000 2.228 0.000) 2.228 14.034 ( 0.000 0.780 0.000) 0.780 14.037 ( 0.000 -2.338 0.000) 2.338 14.093 ( 0.000 0.213 0.000) 0.213 14.159 ( 0.000 2.438 0.000) 2.438 14.218 ( 0.000 0.389 0.000) 0.389 14.351 ( 0.000 -0.173 0.000) 0.173 14.540 ( 0.000 -2.664 0.000) 2.664 14.965 ( 0.000 -0.101 0.000) 0.101 15.039 ( 0.000 -1.213 0.000) 1.213 15.167 ( 0.000 9.704 0.000) 9.704 15.651 ( 0.000 0.856 0.000) 0.856 15.697 ( 0.000 0.557 0.000) 0.557 15.851 ( 0.000 -8.170 0.000) 8.170 16.050 ( 0.000 0.207 0.000) 0.207 16.057 ( 0.000 1.836 0.000) 1.836 22.224 ( 0.000 3.517 0.000) 3.517 22.411 ( 0.000 0.799 0.000) 0.799 22.484 ( 0.000 -0.842 0.000) 0.842 22.546 ( 0.000 -0.904 0.000) 0.904 22.681 ( 0.000 -2.577 0.000) 2.577 22.768 ( 0.000 2.017 0.000) 2.017 22.829 ( 0.000 0.074 0.000) 0.074 22.855 ( 0.000 -4.777 0.000) 4.777 23.070 ( 0.000 0.990 0.000) 0.990 23.140 ( 0.000 -0.693 0.000) 0.693 23.274 ( 0.000 1.186 0.000) 1.186 23.295 ( 0.000 4.854 0.000) 4.854 23.370 ( 0.000 1.086 0.000) 1.086 23.578 ( 0.000 4.330 0.000) 4.330 23.753 ( 0.000 -5.482 0.000) 5.482 23.839 ( 0.000 1.446 0.000) 1.446 23.863 ( 0.000 -0.799 0.000) 0.799 23.970 ( 0.000 -1.673 0.000) 1.673 24.022 ( 0.000 0.242 0.000) 0.242 24.071 ( 0.000 0.386 0.000) 0.386 24.123 ( 0.000 0.335 0.000) 0.335 24.132 ( 0.000 0.611 0.000) 0.611 24.171 ( 0.000 1.961 0.000) 1.961 24.217 ( 0.000 0.803 0.000) 0.803 24.313 ( 0.000 -0.652 0.000) 0.652 24.504 ( 0.000 -6.675 0.000) 6.675 24.884 ( 0.000 1.658 0.000) 1.658 24.942 ( 0.000 -0.712 0.000) 0.712 25.144 ( 0.000 -0.703 0.000) 0.703 25.150 ( 0.000 -1.431 0.000) 1.431 25.233 ( 0.000 1.749 0.000) 1.749 25.296 ( 0.000 -0.508 0.000) 0.508 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 9.001 20.079 7.021) 23.098 0.713 ( 16.582 16.469 -0.263) 23.372 1.291 ( 23.198 26.257 -1.994) 35.094 1.428 ( 6.691 9.423 -0.770) 11.582 1.553 ( 0.227 9.216 4.617) 10.310 1.637 ( 13.892 -1.481 -5.970) 15.193 1.730 ( 5.992 -5.090 3.155) 8.471 1.891 ( -4.505 1.406 2.615) 5.395 2.016 ( -1.657 -2.111 3.169) 4.153 2.129 ( -1.175 -1.575 3.090) 3.662 2.140 ( -1.310 -4.708 -4.155) 6.414 2.236 ( -0.785 -3.418 -2.556) 4.340 2.275 ( -3.040 2.352 4.422) 5.859 2.348 ( 2.611 -1.352 1.590) 3.342 2.413 ( -2.400 -1.383 -0.586) 2.831 2.426 ( -1.996 -3.095 -0.629) 3.736 2.559 ( -1.268 -1.638 2.314) 3.105 2.650 ( -2.222 -2.271 3.306) 4.585 2.676 ( 1.322 -0.989 -4.040) 4.365 2.704 ( -4.895 -2.406 1.051) 5.555 2.733 ( 2.016 1.134 -5.616) 6.074 2.847 ( 0.630 -3.706 0.083) 3.760 2.872 ( -5.350 1.993 -2.551) 6.253 2.916 ( -0.229 1.806 -6.336) 6.592 3.041 ( 5.100 -0.076 -4.742) 6.965 3.105 ( -1.819 1.185 1.643) 2.722 3.175 ( 2.183 -0.447 2.868) 3.632 3.242 ( -0.039 -1.872 1.753) 2.565 3.303 ( -1.504 -2.338 -1.393) 3.110 3.352 ( -4.676 1.254 -1.404) 5.040 3.449 ( 2.912 -1.955 -0.516) 3.545 3.577 ( -4.532 -1.775 0.615) 4.906 3.648 ( 2.272 -2.396 4.227) 5.364 3.800 ( 4.790 2.839 3.080) 6.363 3.856 ( -3.188 2.010 -2.062) 4.296 3.924 ( -5.273 1.776 2.231) 5.995 3.935 ( -2.113 -4.282 -0.717) 4.828 4.030 ( -3.374 2.704 2.033) 4.778 4.098 ( -2.226 0.384 1.164) 2.541 4.148 ( -0.137 1.653 -1.601) 2.305 4.212 ( 2.639 3.839 -0.320) 4.669 4.265 ( -4.576 6.033 -0.013) 7.572 4.320 ( 6.636 2.464 -3.573) 7.929 4.363 ( 1.825 4.999 1.633) 5.567 4.448 ( 2.196 -0.579 0.566) 2.341 4.547 ( -2.350 3.911 -2.254) 5.089 4.666 ( -9.220 1.442 -0.165) 9.333 4.825 ( -0.794 -7.535 -0.739) 7.612 4.859 ( -7.539 -2.743 1.030) 8.088 4.882 ( -1.692 -3.639 -1.127) 4.169 4.897 ( -0.455 -0.849 -3.060) 3.209 4.954 ( -0.396 -0.999 0.488) 1.181 5.036 ( -2.750 3.143 0.689) 4.233 5.227 ( -3.029 3.227 3.303) 5.523 5.342 ( 3.451 -1.479 -3.916) 5.425 5.419 ( 2.566 1.536 0.825) 3.102 5.502 ( 5.403 -0.238 2.245) 5.855 5.540 ( 1.493 -1.111 0.481) 1.922 5.654 ( 5.222 -0.136 -0.918) 5.304 5.804 ( 0.173 -1.427 0.031) 1.438 5.915 ( -2.020 -0.348 -1.653) 2.634 6.033 ( -2.234 -0.675 0.804) 2.468 6.196 ( -4.941 -2.345 4.954) 7.380 6.226 ( 10.698 -6.298 -1.659) 12.525 6.491 ( -1.124 3.831 1.056) 4.130 6.591 ( 6.852 0.181 2.039) 7.152 6.675 ( 4.088 -1.777 0.354) 4.472 6.771 ( -3.635 1.952 -0.800) 4.203 7.037 ( -4.053 1.260 4.773) 6.387 7.133 ( -0.378 -2.348 -0.365) 2.406 7.235 ( 0.063 -1.888 -4.366) 4.758 7.287 ( 1.978 -1.825 -0.040) 2.692 7.852 ( -0.705 0.983 -0.365) 1.264 7.901 ( 0.738 1.547 1.813) 2.495 8.042 ( 2.199 -3.145 0.931) 3.949 8.114 ( -0.207 -0.606 0.067) 0.644 8.201 ( 2.568 -0.600 -4.273) 5.021 8.267 ( -1.053 4.048 2.283) 4.765 8.387 ( 1.263 -5.898 -2.993) 6.734 8.685 ( -0.307 -5.532 0.231) 5.546 9.071 ( -0.870 1.249 0.964) 1.802 9.252 ( -2.008 0.020 1.444) 2.473 9.310 ( -1.299 -0.039 -1.809) 2.228 9.328 ( -2.080 1.997 -1.048) 3.068 9.395 ( 2.099 0.756 -2.122) 3.079 9.446 ( 0.234 3.135 0.397) 3.169 9.565 ( 1.175 -2.059 0.215) 2.381 9.687 ( -3.240 -1.755 4.024) 5.457 9.789 ( 0.020 1.618 -0.244) 1.637 9.835 ( 0.079 0.286 0.330) 0.444 10.198 ( -0.766 -0.235 1.287) 1.516 10.217 ( 1.345 -1.145 -3.815) 4.204 12.008 ( -4.656 5.467 -3.568) 8.019 12.028 ( -0.371 1.083 3.814) 3.982 12.050 ( -1.348 2.789 1.642) 3.506 12.109 ( 0.285 1.525 0.437) 1.611 12.163 ( -1.281 -1.069 0.326) 1.700 12.254 ( -1.043 -1.611 -4.049) 4.481 12.365 ( -2.200 1.914 -2.778) 4.027 12.460 ( -1.639 0.603 0.036) 1.747 13.154 ( 1.194 -2.023 0.128) 2.353 13.212 ( -1.470 -0.074 -0.535) 1.566 13.267 ( 2.003 -1.596 -0.793) 2.681 13.345 ( 1.775 -0.568 0.224) 1.877 13.395 ( 0.853 -2.249 1.030) 2.617 13.420 ( 1.527 -4.003 4.688) 6.351 13.619 ( 2.348 4.506 1.082) 5.195 13.777 ( 1.928 0.396 0.567) 2.048 13.961 ( 1.495 2.318 1.281) 3.041 14.028 ( 0.027 1.051 -0.558) 1.190 14.044 ( -0.016 -1.655 0.890) 1.879 14.097 ( -0.822 -0.131 -2.906) 3.023 14.215 ( -0.896 -1.034 0.510) 1.460 14.245 ( 4.917 -2.838 -0.328) 5.687 14.331 ( 0.115 3.276 -0.209) 3.285 14.624 ( 6.134 -3.229 -4.202) 8.106 14.948 ( -1.574 1.228 1.642) 2.585 15.123 ( 4.281 -5.181 -0.217) 6.724 15.189 ( 2.619 5.826 1.338) 6.526 15.665 ( -1.470 0.031 -0.031) 1.471 15.679 ( 1.045 0.782 0.815) 1.538 15.834 ( -1.651 -6.914 4.009) 8.161 15.981 ( -4.270 2.593 1.725) 5.285 16.034 ( -2.193 1.156 -3.100) 3.969 22.217 ( -0.745 3.425 -0.357) 3.523 22.356 ( -6.887 6.294 6.350) 11.286 22.415 ( -2.428 0.613 -5.631) 6.163 22.558 ( 1.001 -0.546 -0.485) 1.239 22.618 ( -5.791 -0.272 0.278) 5.804 22.714 ( -1.222 -0.993 3.216) 3.580 22.779 ( 1.071 2.877 -1.069) 3.251 22.897 ( 1.595 -0.691 -5.484) 5.753 22.977 ( -1.591 5.083 -4.497) 6.971 23.137 ( -1.995 -3.362 -1.457) 4.172 23.265 ( -0.618 0.799 0.427) 1.097 23.335 ( -0.823 -0.759 1.165) 1.615 23.408 ( 0.216 5.767 1.078) 5.870 23.591 ( 1.842 2.138 -2.459) 3.743 23.690 ( -3.384 -0.613 -1.168) 3.632 23.802 ( -1.730 -0.304 -2.004) 2.665 23.915 ( -1.888 -1.955 2.687) 3.822 23.961 ( 1.774 -1.199 -2.210) 3.077 24.034 ( 1.022 0.238 -1.097) 1.518 24.065 ( 1.172 0.484 1.147) 1.710 24.087 ( -1.166 2.789 -2.931) 4.210 24.164 ( 1.957 -0.587 1.559) 2.570 24.197 ( 0.896 -0.868 -0.163) 1.258 24.268 ( 2.090 -0.966 3.424) 4.126 24.369 ( 5.472 -2.556 0.528) 6.062 24.472 ( -2.473 -4.867 -2.571) 6.034 24.690 ( -11.927 4.943 1.786) 13.034 24.860 ( -3.361 -0.666 1.518) 3.747 25.071 ( -1.091 1.978 -1.358) 2.636 25.204 ( 3.644 -2.124 -1.424) 4.452 25.298 ( 7.467 2.430 -1.041) 7.921 25.582 ( 8.548 -10.036 5.524) 14.293 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 14.187 11.219 4.662) 18.678 1.040 ( 14.599 8.610 1.070) 16.982 1.462 ( -1.451 11.959 -4.837) 12.982 1.571 ( 5.029 2.817 3.421) 6.703 1.678 ( 4.645 5.015 5.585) 8.827 1.791 ( -2.182 6.240 -3.688) 7.570 1.831 ( -4.892 -2.106 2.575) 5.916 1.973 ( 12.997 -1.765 -3.238) 13.511 2.019 ( 2.812 -3.520 2.956) 5.388 2.065 ( 6.135 1.917 0.492) 6.446 2.148 ( 3.262 -5.035 4.229) 7.340 2.237 ( 1.721 -2.652 1.127) 3.356 2.293 ( 3.656 1.143 -2.589) 4.623 2.322 ( -2.138 -0.984 -7.770) 8.118 2.396 ( -0.369 -0.658 -1.637) 1.802 2.415 ( -1.340 -3.792 0.191) 4.027 2.533 ( -0.836 -5.030 11.742) 12.801 2.567 ( -5.660 3.929 -1.268) 7.006 2.660 ( 1.386 1.400 -2.001) 2.807 2.717 ( -2.763 5.137 1.066) 5.930 2.737 ( 1.902 0.222 -0.613) 2.011 2.823 ( 4.199 -0.690 -1.117) 4.400 2.882 ( -3.674 2.687 -4.467) 6.377 2.902 ( 3.843 -1.079 -3.459) 5.282 3.039 ( -2.688 -1.652 -3.529) 4.734 3.124 ( 1.007 1.763 0.413) 2.072 3.154 ( -0.443 -1.917 -2.541) 3.214 3.227 ( -6.245 2.139 0.580) 6.626 3.253 ( 2.022 4.003 3.879) 5.930 3.390 ( 3.198 -5.224 -2.636) 6.668 3.437 ( 1.308 -2.534 0.666) 2.928 3.543 ( -4.461 2.403 0.416) 5.084 3.677 ( -2.524 -1.324 0.310) 2.867 3.701 ( -5.230 -1.941 3.312) 6.488 3.823 ( -4.846 6.133 -0.351) 7.824 3.885 ( 2.138 6.843 3.917) 8.169 3.954 ( -4.390 -0.298 -1.638) 4.695 3.963 ( 0.908 -5.202 3.073) 6.110 4.005 ( -3.272 -1.383 2.414) 4.295 4.120 ( -3.733 1.484 -1.557) 4.308 4.213 ( -1.596 0.336 1.801) 2.430 4.270 ( 3.100 0.735 -2.500) 4.049 4.359 ( -3.592 -1.252 -2.224) 4.406 4.396 ( -0.215 3.844 -0.677) 3.909 4.466 ( 3.320 2.747 -2.253) 4.863 4.533 ( 0.848 1.443 -2.948) 3.390 4.583 ( 2.657 3.668 -0.717) 4.586 4.749 ( -7.841 0.125 -1.663) 8.017 4.801 ( -0.184 -8.190 2.383) 8.532 4.810 ( -1.959 -6.590 1.057) 6.956 4.916 ( 1.108 -2.978 -1.366) 3.459 4.941 ( -0.627 -0.716 2.472) 2.649 5.032 ( 0.044 0.555 -1.679) 1.769 5.209 ( 1.253 3.527 -0.786) 3.825 5.404 ( 1.699 2.762 0.631) 3.304 5.476 ( 4.816 -4.547 -2.556) 7.099 5.572 ( 1.127 -1.885 0.755) 2.322 5.596 ( 4.341 -1.108 1.449) 4.708 5.691 ( -1.300 3.748 0.517) 4.000 5.807 ( 1.012 2.055 -0.104) 2.293 5.942 ( 3.132 -1.775 -1.797) 4.024 5.973 ( -3.403 2.924 0.171) 4.490 6.073 ( -7.049 -0.258 6.313) 9.466 6.389 ( 5.672 -6.353 -1.153) 8.594 6.445 ( -2.245 4.180 -0.045) 4.745 6.644 ( -0.648 -1.749 0.344) 1.897 6.723 ( 0.333 2.463 -1.176) 2.750 6.780 ( 4.561 -1.587 1.981) 5.219 6.953 ( -4.650 0.432 2.518) 5.305 7.144 ( 0.867 -3.259 -1.027) 3.525 7.230 ( -0.139 0.023 -1.467) 1.474 7.327 ( 1.634 -1.830 -0.294) 2.471 7.836 ( -0.597 2.277 -0.489) 2.404 7.916 ( 0.561 2.034 1.900) 2.839 8.066 ( -0.056 -1.972 0.703) 2.094 8.131 ( 1.937 -1.769 0.863) 2.762 8.229 ( 0.396 0.770 -3.140) 3.257 8.255 ( -0.058 3.283 1.200) 3.496 8.406 ( 0.799 -5.266 -2.306) 5.804 8.684 ( 0.081 -6.297 0.255) 6.302 9.061 ( -0.268 -0.152 0.693) 0.759 9.230 ( -0.414 1.535 0.927) 1.841 9.276 ( -1.495 -2.275 -0.225) 2.731 9.285 ( -2.056 2.212 -1.084) 3.209 9.445 ( 2.546 0.444 -3.637) 4.462 9.472 ( 2.009 1.611 -0.474) 2.618 9.572 ( -0.115 -1.637 0.113) 1.645 9.620 ( -3.730 -1.354 5.006) 6.388 9.796 ( 0.539 1.306 -0.230) 1.432 9.835 ( -0.042 0.219 0.544) 0.588 10.181 ( -0.848 0.369 0.356) 0.991 10.235 ( 0.632 -1.190 -1.734) 2.196 11.939 ( -1.675 6.384 -0.366) 6.610 12.036 ( 0.121 1.157 0.307) 1.204 12.054 ( 0.886 0.132 1.097) 1.416 12.115 ( -0.164 -0.924 0.208) 0.962 12.141 ( -0.482 -0.106 0.365) 0.614 12.222 ( -1.483 -1.654 -1.984) 2.978 12.306 ( -2.786 3.020 -1.808) 4.489 12.450 ( -0.110 -0.234 0.353) 0.437 13.179 ( 1.168 -3.575 0.126) 3.763 13.191 ( -0.709 -0.795 -0.280) 1.102 13.299 ( 1.176 -1.471 -0.601) 1.977 13.376 ( 1.227 -0.064 -1.448) 1.899 13.401 ( -0.421 -1.074 1.758) 2.103 13.437 ( 0.699 -2.306 3.065) 3.898 13.662 ( 1.922 4.652 0.163) 5.036 13.824 ( 2.118 0.044 0.757) 2.249 13.992 ( 1.004 3.396 0.622) 3.596 14.033 ( 0.006 0.203 0.357) 0.410 14.037 ( -0.041 -1.546 -0.325) 1.580 14.095 ( 0.969 -0.519 -0.819) 1.371 14.183 ( -1.735 -1.659 -0.133) 2.404 14.299 ( 1.138 -0.157 0.548) 1.272 14.359 ( 1.837 5.876 -1.463) 6.328 14.718 ( 3.096 -2.752 -3.286) 5.287 14.916 ( -1.141 1.718 2.811) 3.486 15.179 ( 2.493 -2.579 -5.301) 6.400 15.235 ( 1.262 3.550 3.854) 5.389 15.605 ( -3.285 0.347 0.724) 3.381 15.726 ( 2.308 -1.346 1.298) 2.970 15.811 ( -0.603 -5.734 1.196) 5.888 15.919 ( -2.691 1.169 3.234) 4.367 15.986 ( -1.979 -0.042 -3.371) 3.909 22.194 ( -1.302 3.253 -0.105) 3.505 22.271 ( -1.873 6.007 0.696) 6.331 22.379 ( -1.417 -0.474 -1.085) 1.846 22.537 ( -2.385 0.327 -0.446) 2.448 22.593 ( 2.018 -2.966 -0.558) 3.631 22.694 ( -1.682 -2.409 2.437) 3.817 22.801 ( 0.996 4.074 -0.809) 4.272 22.920 ( 1.027 -0.240 -3.011) 3.191 22.963 ( -0.113 3.657 -1.154) 3.836 23.098 ( -1.445 -3.006 -1.069) 3.502 23.253 ( -0.603 0.382 0.678) 0.985 23.312 ( -1.439 0.231 0.538) 1.553 23.380 ( -1.351 7.331 0.219) 7.458 23.608 ( -0.517 0.664 0.479) 0.969 23.639 ( -1.717 -0.409 -1.448) 2.283 23.780 ( -0.392 0.759 -1.067) 1.367 23.841 ( -3.900 -1.646 0.795) 4.307 24.008 ( 2.136 -0.684 -2.604) 3.437 24.049 ( -0.104 0.611 -1.845) 1.947 24.090 ( 1.781 0.686 1.652) 2.524 24.102 ( 1.901 1.037 1.313) 2.533 24.193 ( 0.545 -0.512 0.242) 0.786 24.217 ( 1.418 0.343 -0.195) 1.472 24.283 ( 0.092 0.114 1.019) 1.030 24.399 ( -1.671 -2.217 -3.983) 4.855 24.495 ( -0.510 -0.723 1.828) 2.031 24.536 ( -0.304 -1.005 2.609) 2.812 24.801 ( -2.940 -4.340 1.588) 5.477 25.062 ( 0.013 2.124 -1.281) 2.480 25.263 ( 2.367 -2.632 -1.006) 3.680 25.454 ( 7.711 1.141 -2.059) 8.062 25.641 ( -1.014 -4.676 3.922) 6.187 ======================= Grid point 10 (8/48) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 5.594 -0.000) 5.594 1.133 ( 0.000 4.178 0.000) 4.178 1.493 ( 0.000 11.871 -0.000) 11.871 1.571 ( 0.000 10.937 0.000) 10.937 1.654 ( 0.000 -0.097 0.000) 0.097 1.731 ( 0.000 2.001 -0.000) 2.001 1.826 ( 0.000 0.551 -0.000) 0.551 1.956 ( 0.000 -3.031 0.000) 3.031 2.090 ( 0.000 1.646 0.000) 1.646 2.175 ( 0.000 -10.049 -0.000) 10.049 2.260 ( -0.000 -2.272 0.000) 2.272 2.285 ( 0.000 -5.617 0.000) 5.617 2.301 ( 0.000 2.068 -0.000) 2.068 2.330 ( -0.000 -9.728 0.000) 9.728 2.371 ( -0.000 -2.293 0.000) 2.293 2.423 ( 0.000 4.113 0.000) 4.113 2.497 ( 0.000 -4.536 0.000) 4.536 2.593 ( 0.000 7.015 -0.000) 7.015 2.618 ( 0.000 5.415 -0.000) 5.415 2.708 ( 0.000 2.219 -0.000) 2.219 2.777 ( 0.000 4.409 -0.000) 4.409 2.850 ( 0.000 2.385 -0.000) 2.385 2.906 ( 0.000 -0.673 -0.000) 0.673 2.943 ( 0.000 -6.263 0.000) 6.263 2.982 ( 0.000 5.282 -0.000) 5.282 3.095 ( 0.000 1.596 -0.000) 1.596 3.148 ( -0.000 2.647 0.000) 2.647 3.263 ( 0.000 -1.613 0.000) 1.613 3.299 ( -0.000 2.646 -0.000) 2.646 3.370 ( 0.000 4.683 -0.000) 4.683 3.380 ( 0.000 -4.014 0.000) 4.014 3.467 ( 0.000 1.512 -0.000) 1.512 3.546 ( 0.000 4.032 0.000) 4.032 3.737 ( 0.000 -5.996 -0.000) 5.996 3.833 ( 0.000 -2.373 0.000) 2.373 3.842 ( -0.000 4.781 0.000) 4.781 3.926 ( 0.000 10.143 0.000) 10.143 3.962 ( 0.000 -3.692 0.000) 3.692 3.996 ( 0.000 0.244 0.000) 0.244 4.056 ( 0.000 -2.951 -0.000) 2.951 4.190 ( 0.000 -0.375 0.000) 0.375 4.311 ( 0.000 -4.413 -0.000) 4.413 4.320 ( -0.000 -1.501 -0.000) 1.501 4.394 ( 0.000 2.641 0.000) 2.641 4.519 ( 0.000 4.360 -0.000) 4.360 4.556 ( 0.000 -0.455 -0.000) 0.455 4.612 ( 0.000 3.591 -0.000) 3.591 4.639 ( -0.000 -0.966 0.000) 0.966 4.782 ( 0.000 -5.641 -0.000) 5.641 4.817 ( 0.000 -10.605 0.000) 10.605 4.907 ( 0.000 0.338 0.000) 0.338 4.960 ( 0.000 -3.089 0.000) 3.089 5.017 ( 0.000 1.621 -0.000) 1.621 5.240 ( 0.000 3.081 -0.000) 3.081 5.414 ( 0.000 3.709 0.000) 3.709 5.544 ( 0.000 -7.337 0.000) 7.337 5.581 ( 0.000 -2.592 0.000) 2.592 5.645 ( 0.000 -1.356 -0.000) 1.356 5.667 ( 0.000 3.989 -0.000) 3.989 5.843 ( 0.000 5.204 0.000) 5.204 5.926 ( 0.000 4.463 0.000) 4.463 5.945 ( 0.000 -1.945 -0.000) 1.945 6.012 ( 0.000 1.684 0.000) 1.684 6.422 ( 0.000 3.773 -0.000) 3.773 6.436 ( 0.000 -6.720 -0.000) 6.720 6.637 ( 0.000 -3.590 0.000) 3.590 6.737 ( 0.000 3.376 0.000) 3.376 6.855 ( 0.000 -3.893 0.000) 3.893 6.870 ( -0.000 2.908 0.000) 2.908 7.153 ( 0.000 -3.063 -0.000) 3.063 7.228 ( 0.000 0.560 -0.000) 0.560 7.343 ( 0.000 -1.763 0.000) 1.763 7.831 ( 0.000 2.811 -0.000) 2.811 7.923 ( 0.000 2.216 0.000) 2.216 8.062 ( 0.000 -1.747 0.000) 1.747 8.157 ( 0.000 -2.556 -0.000) 2.556 8.226 ( 0.000 1.933 0.000) 1.933 8.258 ( 0.000 2.795 0.000) 2.795 8.413 ( 0.000 -4.949 -0.000) 4.949 8.685 ( 0.000 -6.349 0.000) 6.349 9.059 ( 0.000 -0.879 -0.000) 0.879 9.230 ( 0.000 3.121 0.000) 3.121 9.260 ( 0.000 -2.266 -0.000) 2.266 9.261 ( 0.000 -0.162 -0.000) 0.162 9.468 ( 0.000 1.274 -0.000) 1.274 9.509 ( 0.000 -0.321 0.000) 0.321 9.567 ( 0.000 -1.076 -0.000) 1.076 9.572 ( 0.000 -1.074 -0.000) 1.074 9.802 ( 0.000 1.297 -0.000) 1.297 9.835 ( 0.000 0.156 -0.000) 0.156 10.172 ( 0.000 0.661 0.000) 0.661 10.240 ( 0.000 -1.118 -0.000) 1.118 11.925 ( 0.000 5.467 0.000) 5.467 12.036 ( 0.000 1.518 -0.000) 1.518 12.068 ( 0.000 -0.168 -0.000) 0.168 12.105 ( 0.000 -1.110 0.000) 1.110 12.143 ( 0.000 -1.020 0.000) 1.020 12.206 ( 0.000 -1.763 -0.000) 1.763 12.274 ( 0.000 3.931 0.000) 3.931 12.449 ( 0.000 -0.388 -0.000) 0.388 13.184 ( 0.000 -0.929 0.000) 0.929 13.192 ( 0.000 -4.592 -0.000) 4.592 13.310 ( 0.000 -1.290 0.000) 1.290 13.384 ( 0.000 0.498 0.000) 0.498 13.398 ( 0.000 -0.965 -0.000) 0.965 13.447 ( 0.000 -1.740 0.000) 1.740 13.683 ( 0.000 4.387 0.000) 4.387 13.846 ( 0.000 0.237 -0.000) 0.237 13.998 ( 0.000 4.319 -0.000) 4.319 14.031 ( 0.000 -0.261 0.000) 0.261 14.041 ( 0.000 -2.648 -0.000) 2.648 14.114 ( 0.000 -0.630 -0.000) 0.630 14.161 ( 0.000 -0.970 0.000) 0.970 14.308 ( 0.000 0.713 0.000) 0.713 14.379 ( 0.000 7.040 0.000) 7.040 14.740 ( 0.000 -1.108 0.000) 1.108 14.912 ( 0.000 0.299 -0.000) 0.299 15.205 ( 0.000 -5.691 -0.000) 5.691 15.248 ( 0.000 7.737 0.000) 7.737 15.567 ( 0.000 0.369 0.000) 0.369 15.751 ( 0.000 -3.152 0.000) 3.152 15.811 ( 0.000 -4.574 -0.000) 4.574 15.886 ( 0.000 0.589 -0.000) 0.589 15.965 ( 0.000 -0.561 0.000) 0.561 22.180 ( 0.000 2.787 0.000) 2.787 22.257 ( 0.000 5.045 0.000) 5.045 22.363 ( 0.000 -0.775 0.000) 0.775 22.513 ( 0.000 -0.155 0.000) 0.155 22.628 ( 0.000 -4.256 0.000) 4.256 22.663 ( 0.000 -1.376 -0.000) 1.376 22.811 ( 0.000 4.578 -0.000) 4.578 22.930 ( 0.000 -0.239 0.000) 0.239 22.963 ( 0.000 3.325 -0.000) 3.325 23.084 ( 0.000 -2.662 0.000) 2.662 23.247 ( 0.000 0.153 0.000) 0.153 23.295 ( 0.000 2.176 0.000) 2.176 23.370 ( 0.000 5.166 -0.000) 5.166 23.597 ( 0.000 0.394 0.000) 0.394 23.622 ( 0.000 0.304 -0.000) 0.304 23.783 ( -0.000 2.053 0.000) 2.053 23.793 ( 0.000 -2.628 -0.000) 2.628 24.035 ( -0.000 2.164 0.000) 2.164 24.037 ( 0.000 -2.654 -0.000) 2.654 24.114 ( 0.000 0.727 -0.000) 0.727 24.127 ( 0.000 0.825 0.000) 0.825 24.196 ( 0.000 -0.385 -0.000) 0.385 24.234 ( 0.000 0.872 0.000) 0.872 24.286 ( 0.000 0.577 -0.000) 0.577 24.394 ( 0.000 1.510 -0.000) 1.510 24.427 ( -0.000 -1.450 0.000) 1.450 24.591 ( 0.000 -3.082 0.000) 3.082 24.763 ( 0.000 -6.460 -0.000) 6.460 25.063 ( 0.000 2.238 -0.000) 2.238 25.287 ( 0.000 -2.824 0.000) 2.824 25.568 ( 0.000 -0.881 -0.000) 0.881 25.591 ( -0.000 -1.352 0.000) 1.352 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 20.565 0.000) 20.565 1.076 ( 0.000 19.885 0.000) 19.885 1.277 ( 0.000 -13.554 0.000) 13.554 1.366 ( 0.000 -7.904 0.000) 7.904 1.536 ( 0.000 11.468 0.000) 11.468 1.809 ( 0.000 -10.749 0.000) 10.749 1.855 ( 0.000 13.664 0.000) 13.664 2.000 ( 0.000 11.972 0.000) 11.972 2.002 ( 0.000 2.514 0.000) 2.514 2.047 ( 0.000 0.881 0.000) 0.881 2.090 ( 0.000 5.988 0.000) 5.988 2.255 ( 0.000 -4.105 0.000) 4.105 2.277 ( 0.000 3.204 0.000) 3.204 2.352 ( 0.000 -1.323 0.000) 1.323 2.391 ( 0.000 -2.766 0.000) 2.766 2.421 ( 0.000 -5.237 0.000) 5.237 2.500 ( 0.000 -1.894 0.000) 1.894 2.586 ( 0.000 3.696 0.000) 3.696 2.624 ( 0.000 -9.043 0.000) 9.043 2.685 ( 0.000 -0.904 0.000) 0.904 2.709 ( 0.000 8.258 0.000) 8.258 2.763 ( 0.000 -0.123 0.000) 0.123 2.852 ( 0.000 -7.609 0.000) 7.609 3.019 ( 0.000 5.391 0.000) 5.391 3.029 ( 0.000 -19.319 0.000) 19.319 3.096 ( 0.000 8.567 0.000) 8.567 3.114 ( 0.000 -5.134 0.000) 5.134 3.207 ( 0.000 3.722 0.000) 3.722 3.213 ( 0.000 -2.853 0.000) 2.853 3.331 ( 0.000 -8.979 0.000) 8.979 3.477 ( 0.000 7.408 0.000) 7.408 3.602 ( 0.000 -4.058 0.000) 4.058 3.689 ( 0.000 8.915 0.000) 8.915 3.781 ( 0.000 2.447 0.000) 2.447 3.823 ( 0.000 -2.055 0.000) 2.055 3.872 ( 0.000 -8.903 0.000) 8.903 3.962 ( 0.000 2.742 0.000) 2.742 4.046 ( 0.000 -3.859 0.000) 3.859 4.221 ( 0.000 4.981 0.000) 4.981 4.279 ( 0.000 2.653 0.000) 2.653 4.296 ( 0.000 8.203 0.000) 8.203 4.330 ( 0.000 -2.498 0.000) 2.498 4.344 ( 0.000 3.649 0.000) 3.649 4.417 ( 0.000 2.320 0.000) 2.320 4.463 ( 0.000 3.286 0.000) 3.286 4.598 ( 0.000 -11.622 0.000) 11.622 4.717 ( 0.000 2.302 0.000) 2.302 4.753 ( 0.000 1.628 0.000) 1.628 4.827 ( 0.000 0.861 0.000) 0.861 4.857 ( 0.000 -1.112 0.000) 1.112 4.990 ( 0.000 4.328 0.000) 4.328 5.091 ( 0.000 2.138 0.000) 2.138 5.137 ( 0.000 -1.660 0.000) 1.660 5.159 ( 0.000 -9.691 0.000) 9.691 5.316 ( 0.000 3.744 0.000) 3.744 5.365 ( 0.000 -0.202 0.000) 0.202 5.434 ( 0.000 -0.615 0.000) 0.615 5.465 ( 0.000 -4.378 0.000) 4.378 5.607 ( 0.000 4.497 0.000) 4.497 5.701 ( 0.000 -4.616 0.000) 4.616 5.971 ( 0.000 0.662 0.000) 0.662 5.999 ( 0.000 -1.801 0.000) 1.801 6.077 ( 0.000 2.997 0.000) 2.997 6.152 ( 0.000 -4.103 0.000) 4.103 6.511 ( 0.000 4.498 0.000) 4.498 6.597 ( 0.000 -3.324 0.000) 3.324 6.741 ( 0.000 8.844 0.000) 8.844 6.836 ( 0.000 -0.050 0.000) 0.050 7.035 ( 0.000 -1.071 0.000) 1.071 7.088 ( 0.000 -6.351 0.000) 6.351 7.194 ( 0.000 1.428 0.000) 1.428 7.229 ( 0.000 -2.042 0.000) 2.042 7.873 ( 0.000 2.166 0.000) 2.166 7.936 ( 0.000 -3.713 0.000) 3.713 7.956 ( 0.000 4.248 0.000) 4.248 8.059 ( 0.000 -4.936 0.000) 4.936 8.195 ( 0.000 2.021 0.000) 2.021 8.253 ( 0.000 -4.140 0.000) 4.140 8.403 ( 0.000 7.138 0.000) 7.138 8.557 ( 0.000 -7.515 0.000) 7.515 9.136 ( 0.000 3.344 0.000) 3.344 9.216 ( 0.000 -4.132 0.000) 4.132 9.328 ( 0.000 1.325 0.000) 1.325 9.354 ( 0.000 -1.141 0.000) 1.141 9.422 ( 0.000 2.766 0.000) 2.766 9.470 ( 0.000 -1.990 0.000) 1.990 9.573 ( 0.000 4.055 0.000) 4.055 9.657 ( 0.000 -3.870 0.000) 3.870 9.823 ( 0.000 1.043 0.000) 1.043 9.835 ( 0.000 -0.078 0.000) 0.078 10.194 ( 0.000 0.189 0.000) 0.189 10.200 ( 0.000 -0.452 0.000) 0.452 12.021 ( 0.000 0.900 0.000) 0.900 12.041 ( 0.000 -0.721 0.000) 0.721 12.143 ( 0.000 0.948 0.000) 0.948 12.146 ( 0.000 0.153 0.000) 0.153 12.232 ( 0.000 0.457 0.000) 0.457 12.236 ( 0.000 0.073 0.000) 0.073 12.411 ( 0.000 2.584 0.000) 2.584 12.470 ( 0.000 -2.858 0.000) 2.858 13.133 ( 0.000 1.004 0.000) 1.004 13.187 ( 0.000 -4.121 0.000) 4.121 13.257 ( 0.000 2.185 0.000) 2.185 13.306 ( 0.000 1.242 0.000) 1.242 13.315 ( 0.000 -3.388 0.000) 3.388 13.334 ( 0.000 -1.393 0.000) 1.393 13.693 ( 0.000 4.876 0.000) 4.876 13.764 ( 0.000 -1.708 0.000) 1.708 13.980 ( 0.000 0.774 0.000) 0.774 13.998 ( 0.000 -1.331 0.000) 1.331 14.061 ( 0.000 1.955 0.000) 1.955 14.092 ( 0.000 -0.670 0.000) 0.670 14.196 ( 0.000 1.174 0.000) 1.174 14.215 ( 0.000 -0.705 0.000) 0.705 14.386 ( 0.000 3.423 0.000) 3.423 14.468 ( 0.000 -4.099 0.000) 4.099 14.978 ( 0.000 1.170 0.000) 1.170 15.008 ( 0.000 -1.660 0.000) 1.660 15.397 ( 0.000 11.949 0.000) 11.949 15.624 ( 0.000 -8.152 0.000) 8.152 15.702 ( 0.000 -1.735 0.000) 1.735 15.703 ( 0.000 -0.072 0.000) 0.072 16.059 ( 0.000 0.643 0.000) 0.643 16.071 ( 0.000 -0.230 0.000) 0.230 22.320 ( 0.000 5.410 0.000) 5.410 22.409 ( 0.000 -1.958 0.000) 1.958 22.474 ( 0.000 0.054 0.000) 0.054 22.500 ( 0.000 -2.861 0.000) 2.861 22.669 ( 0.000 2.092 0.000) 2.092 22.748 ( 0.000 -4.939 0.000) 4.939 22.808 ( 0.000 1.442 0.000) 1.442 22.827 ( 0.000 -0.408 0.000) 0.408 23.094 ( 0.000 1.247 0.000) 1.247 23.119 ( 0.000 -1.166 0.000) 1.166 23.303 ( 0.000 1.454 0.000) 1.454 23.327 ( 0.000 -0.713 0.000) 0.713 23.476 ( 0.000 7.459 0.000) 7.459 23.625 ( 0.000 -6.848 0.000) 6.848 23.694 ( 0.000 6.485 0.000) 6.485 23.814 ( 0.000 -4.356 0.000) 4.356 23.879 ( 0.000 2.320 0.000) 2.320 23.927 ( 0.000 -2.293 0.000) 2.293 24.032 ( 0.000 0.863 0.000) 0.863 24.058 ( 0.000 -1.387 0.000) 1.387 24.131 ( 0.000 0.616 0.000) 0.616 24.140 ( 0.000 -0.027 0.000) 0.027 24.218 ( 0.000 1.926 0.000) 1.926 24.235 ( 0.000 0.445 0.000) 0.445 24.307 ( 0.000 0.771 0.000) 0.771 24.370 ( 0.000 -5.334 0.000) 5.334 24.909 ( 0.000 0.854 0.000) 0.854 24.925 ( 0.000 -0.813 0.000) 0.813 25.129 ( 0.000 -0.505 0.000) 0.505 25.130 ( 0.000 -0.510 0.000) 0.510 25.263 ( 0.000 1.212 0.000) 1.212 25.283 ( 0.000 -0.768 0.000) 0.768 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 7.390 14.614 5.263) 17.201 1.062 ( 3.053 12.634 0.113) 12.998 1.440 ( 9.794 -0.370 0.900) 9.842 1.496 ( 12.908 -7.335 1.096) 14.887 1.619 ( 8.236 2.663 3.272) 9.254 1.746 ( -3.157 -3.261 5.215) 6.913 1.882 ( 0.067 7.465 -0.788) 7.507 1.974 ( -0.340 10.943 1.553) 11.058 2.024 ( -1.806 4.879 4.679) 6.997 2.055 ( 1.654 -3.752 -5.365) 6.753 2.109 ( -2.305 0.454 -0.202) 2.358 2.178 ( -7.957 -1.697 0.540) 8.154 2.252 ( 1.513 -2.626 4.672) 5.569 2.303 ( 0.511 -4.843 0.155) 4.872 2.392 ( -3.244 -0.011 0.328) 3.261 2.433 ( -3.951 -5.332 -0.205) 6.639 2.474 ( 4.959 10.607 -0.597) 11.725 2.618 ( 3.153 -3.584 -4.463) 6.535 2.660 ( 1.517 2.275 0.844) 2.862 2.682 ( 3.792 1.791 -4.645) 6.258 2.746 ( 0.049 -2.649 -1.833) 3.221 2.824 ( 6.817 7.581 -8.406) 13.214 2.936 ( 4.573 -4.823 -0.520) 6.667 2.970 ( -2.747 -2.457 0.406) 3.708 3.023 ( -1.163 2.991 -6.021) 6.822 3.088 ( -1.186 -3.154 -1.197) 3.576 3.157 ( 1.254 -2.038 -0.662) 2.483 3.203 ( 1.738 -0.215 4.891) 5.195 3.242 ( 4.158 -8.643 0.630) 9.612 3.262 ( -5.491 -5.138 -0.025) 7.520 3.433 ( -3.089 6.050 -0.118) 6.794 3.535 ( -3.617 -3.042 4.455) 6.494 3.674 ( -1.616 4.877 4.698) 6.962 3.788 ( -1.387 -4.736 2.055) 5.345 3.871 ( 2.443 0.660 -0.145) 2.534 3.899 ( 2.277 -0.590 -3.529) 4.241 3.980 ( -4.939 0.846 -1.643) 5.273 3.983 ( -0.476 -1.450 1.761) 2.331 4.182 ( -2.436 5.076 1.919) 5.948 4.221 ( -5.825 2.314 -0.445) 6.283 4.271 ( -0.469 3.519 0.181) 3.554 4.353 ( 0.313 4.800 -5.389) 7.223 4.388 ( -0.072 -3.553 -0.301) 3.567 4.409 ( 1.190 3.064 0.642) 3.349 4.473 ( 0.106 3.394 -3.488) 4.868 4.593 ( -0.451 -9.096 -0.421) 9.116 4.642 ( -3.839 2.360 0.572) 4.542 4.714 ( -2.151 -1.235 2.740) 3.696 4.752 ( -9.270 -0.462 -1.765) 9.448 4.809 ( -1.928 -3.430 -2.598) 4.715 4.968 ( -2.635 3.384 1.525) 4.552 5.012 ( -6.146 3.477 1.682) 7.259 5.072 ( -0.513 2.258 -1.997) 3.058 5.210 ( 3.136 -7.972 -3.135) 9.122 5.311 ( 0.256 4.756 2.810) 5.530 5.423 ( 3.044 -4.272 2.984) 6.035 5.467 ( 1.729 0.714 0.585) 1.960 5.515 ( 3.248 -2.877 2.663) 5.091 5.692 ( 7.635 3.134 -1.804) 8.448 5.751 ( 4.414 -2.588 -2.414) 5.658 5.945 ( -3.333 2.837 -0.985) 4.487 6.004 ( -0.601 -2.236 -0.618) 2.396 6.137 ( 4.551 -1.957 3.783) 6.233 6.140 ( 0.825 -2.242 3.170) 3.970 6.553 ( 2.168 3.172 0.929) 3.953 6.620 ( 0.998 -2.804 0.112) 2.978 6.719 ( -0.652 7.371 -0.945) 7.460 6.807 ( -2.002 0.027 -1.049) 2.260 7.018 ( -2.331 -1.096 1.277) 2.875 7.057 ( -1.499 -4.364 -0.550) 4.647 7.221 ( 1.827 0.667 -0.784) 2.097 7.248 ( 1.816 -1.742 -0.072) 2.518 7.890 ( 1.158 2.576 0.542) 2.876 7.934 ( 0.687 0.226 1.255) 1.449 7.988 ( 2.173 -0.112 -0.056) 2.177 8.060 ( -0.052 -4.466 -0.484) 4.492 8.215 ( 1.908 1.627 -1.676) 3.016 8.268 ( 1.516 -3.892 -0.254) 4.184 8.390 ( -1.166 6.891 -0.363) 6.998 8.544 ( -1.085 -7.670 0.225) 7.750 9.118 ( -1.549 3.247 0.924) 3.714 9.196 ( -1.561 -3.998 0.870) 4.380 9.331 ( -0.546 1.196 -1.357) 1.890 9.348 ( -0.969 -0.254 -1.163) 1.535 9.430 ( 1.091 2.349 -1.311) 2.903 9.470 ( 0.537 -1.141 0.673) 1.429 9.568 ( -0.610 2.578 -0.346) 2.672 9.633 ( -2.295 -3.216 1.717) 4.308 9.820 ( -0.149 1.244 0.803) 1.488 9.836 ( -0.054 -0.307 0.748) 0.811 10.196 ( -0.119 0.080 0.655) 0.670 10.202 ( 0.477 -0.465 -1.291) 1.453 12.028 ( 0.715 0.783 -0.783) 1.318 12.044 ( 0.297 -0.374 -0.338) 0.585 12.128 ( -1.289 0.825 0.742) 1.701 12.138 ( -1.252 1.017 -0.437) 1.672 12.166 ( -4.147 2.625 2.088) 5.334 12.220 ( -2.128 -1.936 -1.289) 3.152 12.404 ( -1.076 2.037 -1.308) 2.649 12.446 ( -1.473 -1.740 -0.040) 2.281 13.134 ( 0.065 0.516 -0.444) 0.684 13.174 ( -0.947 -2.887 -0.842) 3.153 13.275 ( 1.486 1.994 -0.420) 2.522 13.326 ( 1.569 -2.054 -0.090) 2.587 13.345 ( 2.111 -0.911 1.820) 2.933 13.361 ( 2.029 -1.766 1.172) 2.934 13.715 ( 2.099 4.366 0.679) 4.892 13.777 ( 1.543 -1.269 0.575) 2.078 13.984 ( 0.380 0.569 1.263) 1.436 14.011 ( 0.714 -1.780 1.053) 2.188 14.071 ( 1.010 2.460 -1.171) 2.906 14.095 ( -0.610 -0.130 -1.992) 2.087 14.198 ( -1.006 -0.048 0.685) 1.218 14.215 ( 2.661 -1.137 1.469) 3.245 14.422 ( 3.438 5.226 -1.156) 6.361 14.532 ( 5.217 -5.226 -2.445) 7.779 14.979 ( 0.039 1.799 0.817) 1.976 15.027 ( 1.714 -3.097 1.221) 3.745 15.395 ( 0.099 11.253 -0.413) 11.261 15.610 ( -1.452 -8.174 0.057) 8.302 15.696 ( 0.271 0.685 0.672) 0.997 15.712 ( -0.161 -1.959 0.955) 2.185 16.015 ( -3.812 1.218 0.035) 4.002 16.036 ( -3.187 -0.698 -0.927) 3.391 22.310 ( -1.056 5.145 -0.468) 5.273 22.394 ( -1.552 -2.109 -0.425) 2.653 22.430 ( -3.430 2.102 1.464) 4.281 22.497 ( -0.922 -4.328 0.594) 4.465 22.632 ( -3.126 2.072 1.477) 4.031 22.682 ( -3.158 -2.287 1.948) 4.359 22.837 ( 2.363 2.408 -2.352) 4.112 22.875 ( 2.673 -1.422 -3.915) 4.949 23.061 ( -2.002 2.540 -3.203) 4.552 23.094 ( -1.984 -1.283 -1.439) 2.767 23.288 ( -1.194 1.336 0.368) 1.829 23.315 ( -1.232 -1.190 0.764) 1.875 23.520 ( 2.551 5.376 1.548) 6.148 23.621 ( -0.237 -3.670 -0.762) 3.756 23.690 ( -1.457 4.774 1.363) 5.174 23.786 ( -1.970 -2.913 -0.930) 3.638 23.888 ( -1.282 0.515 1.542) 2.071 23.925 ( 0.904 -2.164 -0.353) 2.372 24.045 ( 1.696 0.797 0.094) 1.876 24.062 ( 1.805 -0.689 0.915) 2.138 24.143 ( 0.386 2.299 0.609) 2.409 24.173 ( 2.201 0.037 0.239) 2.214 24.192 ( -0.508 1.470 -0.517) 1.639 24.249 ( 0.023 -2.353 0.216) 2.363 24.330 ( 2.350 -0.153 -1.263) 2.672 24.371 ( 0.613 -3.763 -2.605) 4.618 24.769 ( -10.382 3.144 0.887) 10.884 24.826 ( -7.050 -2.392 1.106) 7.527 25.113 ( 0.021 2.087 -1.444) 2.538 25.158 ( 2.086 -2.261 -1.447) 3.399 25.354 ( 7.466 3.074 0.623) 8.098 25.433 ( 8.633 -5.015 2.745) 10.354 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 7.102 11.272 4.311) 14.003 1.211 ( 7.570 4.911 3.233) 9.585 1.601 ( 6.756 3.473 0.923) 7.652 1.657 ( 1.820 0.281 1.186) 2.191 1.754 ( 2.176 2.197 4.012) 5.065 1.824 ( 6.627 -0.529 0.988) 6.721 1.872 ( 1.540 0.696 0.785) 1.863 1.911 ( -4.987 6.574 -0.964) 8.308 1.993 ( -3.859 -1.166 4.516) 6.054 2.048 ( 4.203 -2.553 -1.839) 5.250 2.073 ( 1.849 -5.112 3.484) 6.457 2.126 ( 0.347 -9.099 -2.694) 9.495 2.230 ( -4.359 -1.338 0.755) 4.622 2.280 ( -4.632 -5.468 1.316) 7.286 2.339 ( -3.078 0.201 -4.943) 5.826 2.358 ( -0.409 -1.901 -0.828) 2.114 2.629 ( 7.577 8.811 0.079) 11.621 2.683 ( 3.643 0.982 -1.424) 4.033 2.720 ( 3.298 3.995 1.390) 5.364 2.751 ( 0.122 -0.924 -1.305) 1.604 2.812 ( 7.533 8.948 -4.005) 12.363 2.854 ( -4.949 4.130 0.154) 6.448 2.906 ( -1.606 2.544 -2.414) 3.857 2.941 ( 0.263 1.090 -4.140) 4.289 3.044 ( 4.079 0.694 -7.075) 8.196 3.112 ( -0.699 -2.048 1.355) 2.553 3.144 ( -0.694 0.598 2.495) 2.658 3.215 ( 5.787 -3.446 -2.155) 7.072 3.278 ( 4.770 -3.099 3.864) 6.877 3.331 ( 0.025 -1.614 -1.012) 1.905 3.423 ( 4.578 2.382 0.659) 5.202 3.535 ( 4.011 -5.520 3.183) 7.529 3.623 ( -4.214 2.119 0.791) 4.783 3.709 ( -9.146 -1.193 0.677) 9.248 3.799 ( -4.680 -1.916 1.312) 5.224 3.894 ( -3.986 -4.506 3.258) 6.842 3.929 ( -1.255 1.552 -1.355) 2.413 3.975 ( -2.266 -1.780 0.622) 2.948 4.089 ( -2.916 10.802 0.400) 11.196 4.179 ( -0.878 2.151 1.399) 2.712 4.233 ( -3.572 1.366 -0.947) 3.939 4.287 ( -4.229 1.320 -4.635) 6.412 4.375 ( -1.306 -2.403 -0.075) 2.736 4.417 ( -3.134 0.244 -3.492) 4.698 4.422 ( -2.411 -1.551 -1.907) 3.443 4.586 ( -0.566 -10.550 -0.013) 10.565 4.611 ( -0.837 3.928 -2.796) 4.894 4.647 ( 0.957 0.412 1.713) 2.005 4.692 ( -0.171 -0.991 1.878) 2.131 4.732 ( -5.467 -3.390 -1.736) 6.663 4.916 ( -1.589 1.443 1.433) 2.582 4.932 ( -1.692 -0.226 2.861) 3.331 5.112 ( 3.053 7.978 -1.910) 8.753 5.280 ( 4.024 -2.781 -6.001) 7.742 5.338 ( 1.938 0.542 3.262) 3.833 5.464 ( 1.148 -6.342 2.589) 6.946 5.499 ( 1.397 3.003 0.404) 3.336 5.570 ( 2.202 -2.769 1.487) 3.838 5.786 ( 0.116 4.387 -0.584) 4.428 5.841 ( 3.959 -0.248 -1.680) 4.308 5.915 ( 1.693 1.011 -0.538) 2.044 5.978 ( -0.068 -3.146 2.079) 3.771 6.116 ( -2.206 5.248 3.323) 6.592 6.247 ( 3.149 -6.932 1.230) 7.712 6.534 ( -2.675 3.725 -0.066) 4.586 6.598 ( -2.518 -2.739 -0.077) 3.721 6.755 ( 2.942 2.437 -0.770) 3.897 6.797 ( 0.811 0.162 0.174) 0.845 6.961 ( -2.593 1.920 0.481) 3.262 7.048 ( 0.215 -5.368 -0.563) 5.402 7.248 ( 0.944 1.493 -0.385) 1.808 7.285 ( 1.530 -2.026 -0.248) 2.551 7.910 ( 0.922 4.681 0.264) 4.778 7.958 ( 1.218 1.541 1.969) 2.782 8.020 ( 0.739 -2.038 0.244) 2.181 8.056 ( -0.052 -4.986 -1.084) 5.102 8.255 ( 1.921 1.766 -1.557) 3.039 8.305 ( 1.861 -3.163 0.053) 3.670 8.365 ( -1.072 6.544 -0.837) 6.684 8.526 ( -0.643 -8.383 0.194) 8.410 9.090 ( -1.209 2.943 0.937) 3.316 9.170 ( -1.073 -4.400 0.929) 4.623 9.301 ( -1.776 1.709 -0.513) 2.518 9.316 ( -1.781 0.338 -1.099) 2.119 9.464 ( 2.198 1.614 -2.670) 3.816 9.494 ( 1.588 -0.470 -0.112) 1.660 9.550 ( -1.133 0.480 0.100) 1.235 9.583 ( -2.682 -2.028 2.618) 4.261 9.822 ( 0.256 1.020 0.550) 1.187 9.835 ( -0.027 -0.280 0.878) 0.922 10.193 ( -0.188 0.764 0.093) 0.792 10.211 ( 0.411 -1.033 -0.592) 1.259 12.041 ( 0.295 1.896 -2.207) 2.925 12.053 ( 0.688 0.589 -0.117) 0.913 12.088 ( -1.795 2.775 2.605) 4.208 12.106 ( -1.226 1.475 -0.856) 2.100 12.125 ( -1.295 -1.366 1.148) 2.205 12.175 ( -1.953 -3.073 -0.821) 3.733 12.375 ( -1.354 3.235 -0.712) 3.579 12.429 ( -0.473 -1.911 0.094) 1.971 13.134 ( -0.070 -0.425 -0.298) 0.524 13.157 ( -0.697 -2.129 -0.465) 2.288 13.304 ( 1.262 1.860 -0.547) 2.314 13.359 ( 1.646 -2.656 -1.085) 3.308 13.377 ( 0.875 -0.536 1.175) 1.560 13.386 ( 0.351 -1.203 2.042) 2.396 13.762 ( 2.180 4.293 0.605) 4.853 13.819 ( 2.272 -1.133 0.686) 2.629 13.994 ( 0.434 -0.154 1.036) 1.134 14.015 ( -0.388 -1.455 1.032) 1.826 14.070 ( -1.026 1.032 -1.337) 1.977 14.086 ( 0.222 -0.450 -1.607) 1.683 14.202 ( 1.246 3.792 0.555) 4.030 14.276 ( 2.585 -2.395 0.826) 3.620 14.491 ( 3.099 6.599 -1.268) 7.400 14.622 ( 3.539 -5.972 -2.165) 7.272 14.978 ( -0.261 3.653 1.798) 4.080 15.064 ( 1.726 -5.087 0.840) 5.437 15.408 ( 1.284 9.535 -1.155) 9.690 15.576 ( -1.774 -5.103 -0.477) 5.424 15.696 ( -1.011 -1.500 1.180) 2.160 15.706 ( 0.105 -2.172 1.731) 2.779 15.943 ( -3.143 1.231 0.380) 3.397 15.970 ( -2.793 -1.282 -1.628) 3.478 22.281 ( -1.680 4.651 -0.270) 4.953 22.354 ( -1.867 -1.927 -1.907) 3.291 22.376 ( -1.996 4.011 2.468) 5.115 22.472 ( -1.302 -5.325 0.677) 5.523 22.593 ( -0.753 2.148 0.096) 2.278 22.643 ( -1.489 -2.539 1.141) 3.156 22.876 ( 1.547 2.713 -1.829) 3.620 22.910 ( 1.195 -0.878 -2.330) 2.761 23.035 ( -0.530 2.514 -1.807) 3.141 23.063 ( -0.939 -0.815 -1.117) 1.671 23.265 ( -1.062 0.881 0.576) 1.496 23.290 ( -1.145 -1.447 0.586) 1.936 23.543 ( 0.090 6.555 0.574) 6.580 23.619 ( -0.007 -1.733 -0.212) 1.746 23.642 ( -2.703 3.115 0.777) 4.197 23.739 ( -2.739 -4.849 -0.181) 5.572 23.857 ( -1.063 3.387 0.117) 3.551 23.943 ( 0.579 -4.444 -0.940) 4.579 24.095 ( 2.228 2.112 0.525) 3.115 24.111 ( 2.254 0.408 1.592) 2.790 24.131 ( -0.542 3.241 -0.622) 3.344 24.206 ( 1.201 1.261 1.173) 2.100 24.219 ( 1.917 -1.100 1.808) 2.855 24.238 ( -0.629 -3.918 -0.962) 4.083 24.371 ( 2.451 0.931 -4.049) 4.824 24.428 ( 5.218 -3.996 -2.702) 7.106 24.589 ( -8.100 4.498 3.060) 9.758 24.695 ( -6.395 -5.506 1.940) 8.659 25.121 ( 0.587 3.407 -1.265) 3.681 25.196 ( 1.621 -3.693 -1.127) 4.187 25.487 ( 5.554 2.199 -0.085) 5.974 25.549 ( 2.992 -3.865 2.119) 5.327 ======================= Grid point 17 (12/48) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 5.892 0.000) 5.892 1.263 ( 0.000 5.113 0.000) 5.113 1.678 ( -0.000 2.813 0.000) 2.813 1.717 ( 0.000 8.106 -0.000) 8.106 1.718 ( -0.000 1.313 0.000) 1.313 1.814 ( 0.000 -0.871 -0.000) 0.871 1.843 ( 0.000 8.485 -0.000) 8.485 1.928 ( 0.000 0.441 0.000) 0.441 1.999 ( 0.000 -5.035 -0.000) 5.035 2.106 ( 0.000 0.123 0.000) 0.123 2.134 ( -0.000 -14.464 0.000) 14.464 2.153 ( -0.000 -4.661 -0.000) 4.661 2.171 ( 0.000 -4.865 -0.000) 4.865 2.187 ( 0.000 -5.361 0.000) 5.361 2.326 ( -0.000 0.270 0.000) 0.270 2.336 ( 0.000 -1.037 -0.000) 1.037 2.703 ( 0.000 3.085 -0.000) 3.085 2.721 ( -0.000 7.014 -0.000) 7.014 2.730 ( 0.000 2.000 0.000) 2.000 2.771 ( -0.000 -5.049 -0.000) 5.049 2.785 ( 0.000 7.905 0.000) 7.905 2.847 ( 0.000 1.366 0.000) 1.366 2.916 ( 0.000 2.627 0.000) 2.627 2.940 ( 0.000 0.293 0.000) 0.293 3.069 ( 0.000 2.192 -0.000) 2.192 3.116 ( 0.000 -3.801 0.000) 3.801 3.230 ( 0.000 5.517 -0.000) 5.517 3.296 ( 0.000 10.525 0.000) 10.525 3.341 ( 0.000 -2.817 -0.000) 2.817 3.387 ( 0.000 5.922 0.000) 5.922 3.466 ( 0.000 2.461 0.000) 2.461 3.508 ( -0.000 5.568 -0.000) 5.568 3.583 ( 0.000 -7.053 0.000) 7.053 3.608 ( 0.000 -2.168 0.000) 2.168 3.783 ( 0.000 -11.848 0.000) 11.848 3.787 ( -0.000 -10.435 -0.000) 10.435 3.878 ( -0.000 7.349 -0.000) 7.349 3.937 ( 0.000 2.729 0.000) 2.729 4.099 ( 0.000 4.721 0.000) 4.721 4.155 ( 0.000 2.831 -0.000) 2.831 4.194 ( 0.000 1.396 0.000) 1.396 4.229 ( 0.000 -1.862 0.000) 1.862 4.346 ( 0.000 4.970 0.000) 4.970 4.390 ( 0.000 -1.563 -0.000) 1.563 4.398 ( 0.000 -10.477 -0.000) 10.477 4.575 ( 0.000 -9.991 0.000) 9.991 4.626 ( 0.000 1.039 0.000) 1.039 4.643 ( -0.000 0.492 -0.000) 0.492 4.677 ( 0.000 1.620 -0.000) 1.620 4.697 ( 0.000 -1.491 0.000) 1.491 4.909 ( 0.000 0.321 0.000) 0.321 4.918 ( 0.000 -0.868 0.000) 0.868 5.146 ( 0.000 9.955 -0.000) 9.955 5.333 ( 0.000 6.333 -0.000) 6.333 5.356 ( -0.000 -9.606 0.000) 9.606 5.475 ( 0.000 -4.449 0.000) 4.449 5.517 ( 0.000 1.698 -0.000) 1.698 5.592 ( 0.000 -3.558 -0.000) 3.558 5.769 ( 0.000 5.380 0.000) 5.380 5.871 ( 0.000 -4.017 0.000) 4.017 5.949 ( 0.000 3.831 0.000) 3.831 6.012 ( 0.000 -1.743 0.000) 1.743 6.072 ( 0.000 8.928 -0.000) 8.928 6.265 ( 0.000 -9.361 0.000) 9.361 6.504 ( 0.000 3.623 -0.000) 3.623 6.569 ( 0.000 -3.055 0.000) 3.055 6.794 ( 0.000 1.158 -0.000) 1.158 6.800 ( -0.000 -0.835 0.000) 0.835 6.936 ( 0.000 4.507 -0.000) 4.507 7.053 ( 0.000 -6.049 -0.000) 6.049 7.257 ( 0.000 1.908 -0.000) 1.908 7.300 ( 0.000 -2.194 0.000) 2.194 7.921 ( 0.000 5.890 0.000) 5.890 7.973 ( 0.000 2.448 0.000) 2.448 8.020 ( 0.000 -2.237 0.000) 2.237 8.058 ( 0.000 -6.666 0.000) 6.666 8.275 ( 0.000 2.332 0.000) 2.332 8.326 ( 0.000 -3.078 0.000) 3.078 8.353 ( 0.000 6.756 -0.000) 6.756 8.520 ( 0.000 -8.858 -0.000) 8.858 9.077 ( 0.000 2.731 -0.000) 2.731 9.159 ( 0.000 -4.779 0.000) 4.779 9.282 ( 0.000 1.698 -0.000) 1.698 9.295 ( 0.000 0.505 0.000) 0.505 9.492 ( 0.000 1.520 0.000) 1.520 9.520 ( 0.000 1.208 -0.000) 1.208 9.531 ( -0.000 -2.058 0.000) 2.058 9.548 ( 0.000 -1.370 0.000) 1.370 9.826 ( 0.000 0.824 -0.000) 0.824 9.835 ( 0.000 -0.165 -0.000) 0.165 10.191 ( 0.000 1.114 -0.000) 1.114 10.215 ( 0.000 -1.235 -0.000) 1.235 12.038 ( 0.000 4.668 0.000) 4.668 12.063 ( 0.000 1.008 0.000) 1.008 12.081 ( -0.000 -1.193 -0.000) 1.193 12.089 ( 0.000 2.516 0.000) 2.516 12.110 ( 0.000 -2.175 0.000) 2.175 12.154 ( 0.000 -3.213 0.000) 3.213 12.360 ( 0.000 3.933 -0.000) 3.933 12.424 ( 0.000 -2.173 -0.000) 2.173 13.132 ( 0.000 -0.869 -0.000) 0.869 13.149 ( 0.000 -1.953 0.000) 1.953 13.317 ( 0.000 1.976 0.000) 1.976 13.379 ( 0.000 -3.543 -0.000) 3.543 13.384 ( 0.000 -0.513 -0.000) 0.513 13.385 ( -0.000 -0.232 0.000) 0.232 13.785 ( 0.000 4.560 0.000) 4.560 13.845 ( 0.000 -1.022 -0.000) 1.022 13.999 ( 0.000 -0.903 -0.000) 0.903 14.007 ( 0.000 -1.109 -0.000) 1.109 14.059 ( 0.000 1.149 -0.000) 1.149 14.087 ( 0.000 -1.643 -0.000) 1.643 14.220 ( 0.000 5.351 0.000) 5.351 14.302 ( 0.000 -1.952 0.000) 1.952 14.523 ( 0.000 6.793 0.000) 6.793 14.656 ( 0.000 -5.978 -0.000) 5.978 14.975 ( 0.000 4.740 -0.000) 4.740 15.083 ( 0.000 -5.733 -0.000) 5.733 15.427 ( 0.000 8.749 0.000) 8.749 15.553 ( 0.000 -2.571 0.000) 2.571 15.686 ( 0.000 -2.185 -0.000) 2.185 15.704 ( 0.000 -4.438 0.000) 4.438 15.909 ( 0.000 1.524 -0.000) 1.524 15.942 ( 0.000 -1.542 0.000) 1.542 22.261 ( 0.000 4.494 0.000) 4.494 22.335 ( 0.000 -2.284 0.000) 2.284 22.357 ( 0.000 4.587 -0.000) 4.587 22.458 ( 0.000 -5.101 0.000) 5.101 22.590 ( 0.000 0.976 0.000) 0.976 22.626 ( 0.000 -2.037 -0.000) 2.037 22.890 ( 0.000 2.608 -0.000) 2.608 22.920 ( 0.000 -0.717 0.000) 0.717 23.031 ( 0.000 2.434 -0.000) 2.434 23.055 ( 0.000 -0.546 -0.000) 0.546 23.254 ( 0.000 0.676 0.000) 0.676 23.278 ( 0.000 -1.582 0.000) 1.582 23.542 ( 0.000 8.897 -0.000) 8.897 23.608 ( 0.000 0.623 0.000) 0.623 23.623 ( 0.000 -0.138 -0.000) 0.138 23.705 ( 0.000 -6.024 0.000) 6.024 23.848 ( 0.000 4.162 -0.000) 4.162 23.947 ( 0.000 -5.236 0.000) 5.236 24.107 ( 0.000 4.828 0.000) 4.828 24.132 ( 0.000 0.801 -0.000) 0.801 24.139 ( 0.000 0.215 0.000) 0.215 24.216 ( 0.000 -1.405 -0.000) 1.405 24.229 ( 0.000 -2.375 -0.000) 2.375 24.245 ( 0.000 -0.132 0.000) 0.132 24.440 ( 0.000 2.962 -0.000) 2.962 24.462 ( -0.000 4.727 0.000) 4.727 24.515 ( 0.000 -3.781 0.000) 3.781 24.604 ( 0.000 -8.113 -0.000) 8.113 25.127 ( 0.000 3.835 -0.000) 3.835 25.212 ( 0.000 -4.183 0.000) 4.183 25.555 ( 0.000 -0.191 0.000) 0.191 25.564 ( 0.000 -1.041 0.000) 1.041 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -8.931 0.000 17.491) 19.640 0.521 ( -5.266 0.000 24.153) 24.720 0.888 ( 1.985 0.000 37.641) 37.694 1.316 ( 5.342 0.000 -6.801) 8.648 1.416 ( -0.913 0.000 7.573) 7.628 1.716 ( -4.063 0.000 14.912) 15.456 1.895 ( 3.140 0.000 1.299) 3.398 1.901 ( 1.965 0.000 10.955) 11.130 1.929 ( -1.585 0.000 -6.287) 6.483 2.052 ( 1.632 0.000 -8.791) 8.941 2.190 ( 7.625 0.000 -5.157) 9.205 2.263 ( 3.987 0.000 0.593) 4.031 2.284 ( 1.341 0.000 0.147) 1.349 2.390 ( 1.922 0.000 1.364) 2.357 2.462 ( -1.670 0.000 0.225) 1.685 2.465 ( -2.940 0.000 -8.447) 8.944 2.591 ( 0.301 0.000 0.900) 0.949 2.610 ( -5.806 0.000 2.435) 6.296 2.715 ( -0.542 0.000 0.073) 0.547 2.720 ( -1.628 0.000 -6.380) 6.585 2.745 ( -2.754 0.000 2.368) 3.632 2.824 ( -0.710 0.000 -2.715) 2.806 2.836 ( -3.200 0.000 -0.639) 3.263 3.034 ( -5.296 0.000 5.639) 7.736 3.087 ( -0.587 0.000 -3.365) 3.415 3.157 ( 7.038 0.000 2.188) 7.370 3.244 ( -1.135 0.000 13.280) 13.328 3.303 ( -1.903 0.000 -0.679) 2.021 3.354 ( -0.117 0.000 2.397) 2.400 3.357 ( 0.484 0.000 0.576) 0.752 3.443 ( -1.542 0.000 -13.544) 13.632 3.459 ( -1.574 0.000 1.353) 2.075 3.663 ( -1.481 0.000 -10.398) 10.503 3.682 ( 7.420 0.000 1.995) 7.684 3.836 ( 1.844 0.000 6.217) 6.485 3.837 ( -3.817 0.000 -8.201) 9.046 3.999 ( 8.325 0.000 -5.701) 10.090 4.078 ( 4.871 0.000 7.597) 9.025 4.090 ( 0.207 0.000 0.475) 0.518 4.139 ( -0.392 0.000 11.029) 11.036 4.199 ( -3.449 0.000 2.320) 4.156 4.244 ( -4.925 0.000 4.607) 6.744 4.270 ( 0.751 0.000 4.793) 4.852 4.355 ( 1.044 0.000 4.013) 4.147 4.463 ( -1.479 0.000 -1.595) 2.175 4.641 ( 4.066 0.000 -10.468) 11.230 4.765 ( -1.041 0.000 -7.311) 7.385 4.866 ( -2.217 0.000 -2.022) 3.000 4.919 ( 1.476 0.000 -1.415) 2.045 4.952 ( -3.824 0.000 -7.557) 8.470 5.008 ( 0.991 0.000 2.064) 2.290 5.037 ( 8.412 0.000 -4.033) 9.329 5.188 ( 0.312 0.000 1.702) 1.731 5.249 ( 1.263 0.000 -1.417) 1.898 5.276 ( 4.405 0.000 -2.048) 4.858 5.404 ( -16.668 0.000 1.759) 16.760 5.436 ( -4.360 0.000 4.020) 5.930 5.513 ( 9.949 0.000 -1.798) 10.110 5.617 ( -6.520 0.000 1.668) 6.730 5.739 ( 0.606 0.000 -4.885) 4.923 5.937 ( -1.526 0.000 -0.395) 1.576 6.087 ( -1.256 0.000 4.484) 4.657 6.091 ( 1.062 0.000 1.701) 2.006 6.201 ( 4.070 0.000 -6.138) 7.365 6.451 ( 13.980 0.000 0.619) 13.994 6.474 ( 0.290 0.000 1.649) 1.674 6.648 ( 0.965 0.000 1.185) 1.528 6.772 ( -1.156 0.000 -2.477) 2.734 6.841 ( 0.381 0.000 1.836) 1.875 7.144 ( -1.626 0.000 -5.552) 5.785 7.196 ( -1.223 0.000 3.465) 3.674 7.342 ( -2.457 0.000 2.032) 3.189 7.847 ( -0.704 0.000 -0.820) 1.081 7.854 ( 1.885 0.000 -1.431) 2.367 7.993 ( -0.232 0.000 -4.526) 4.532 8.087 ( 1.708 0.000 -4.861) 5.153 8.175 ( 0.602 0.000 0.056) 0.605 8.242 ( -6.634 0.000 1.249) 6.751 8.545 ( -2.257 0.000 6.322) 6.713 8.747 ( 0.615 0.000 -0.112) 0.625 9.070 ( 1.378 0.000 0.412) 1.438 9.158 ( 0.877 0.000 -3.737) 3.839 9.315 ( 0.862 0.000 -0.628) 1.066 9.342 ( -0.777 0.000 -0.914) 1.199 9.358 ( -3.171 0.000 1.722) 3.609 9.433 ( -2.125 0.000 -0.375) 2.158 9.563 ( 1.899 0.000 1.343) 2.326 9.675 ( 3.468 0.000 -1.877) 3.943 9.860 ( -0.057 0.000 2.929) 2.930 9.888 ( 0.106 0.000 7.983) 7.984 10.167 ( -2.528 0.000 -4.048) 4.773 10.259 ( -2.423 0.000 -1.646) 2.929 11.856 ( -0.157 0.000 0.794) 0.810 12.003 ( 0.173 0.000 -2.517) 2.523 12.069 ( 1.324 0.000 0.350) 1.370 12.159 ( 0.097 0.000 -1.290) 1.293 12.173 ( 0.811 0.000 0.827) 1.159 12.345 ( -1.954 0.000 -1.725) 2.606 12.406 ( -10.030 0.000 1.174) 10.098 12.428 ( 1.353 0.000 -0.182) 1.365 13.217 ( -0.397 0.000 -0.038) 0.399 13.220 ( -2.038 0.000 -0.235) 2.051 13.300 ( -1.689 0.000 2.425) 2.956 13.351 ( -1.881 0.000 1.561) 2.444 13.418 ( 2.296 0.000 -0.452) 2.340 13.495 ( 14.963 0.000 -1.905) 15.084 13.560 ( -1.865 0.000 2.798) 3.362 13.738 ( 0.887 0.000 -1.200) 1.492 13.917 ( 1.357 0.000 -0.086) 1.359 13.983 ( -0.558 0.000 -1.815) 1.899 14.103 ( 0.920 0.000 1.663) 1.900 14.131 ( -3.136 0.000 1.317) 3.401 14.229 ( -1.356 0.000 1.529) 2.043 14.345 ( 3.040 0.000 -0.733) 3.127 14.566 ( -12.374 0.000 1.839) 12.510 14.590 ( -7.109 0.000 1.750) 7.321 14.954 ( 3.805 0.000 -0.525) 3.841 15.021 ( -2.327 0.000 -1.595) 2.821 15.122 ( 21.528 0.000 0.723) 21.540 15.323 ( -1.298 0.000 -3.711) 3.931 15.668 ( -0.027 0.000 2.188) 2.188 15.703 ( 1.094 0.000 1.079) 1.536 15.998 ( 1.097 0.000 0.791) 1.352 16.163 ( -2.101 0.000 -2.621) 3.360 22.150 ( 0.124 0.000 -0.731) 0.742 22.169 ( -0.107 0.000 -1.376) 1.380 22.574 ( -1.118 0.000 1.760) 2.085 22.584 ( 3.165 0.000 -1.175) 3.376 22.608 ( -0.877 0.000 -1.286) 1.556 22.772 ( 1.315 0.000 -0.116) 1.320 22.776 ( 3.018 0.000 4.358) 5.301 22.929 ( -5.436 0.000 2.933) 6.176 23.016 ( -9.875 0.000 -0.339) 9.881 23.236 ( 0.859 0.000 -2.232) 2.392 23.273 ( 2.957 0.000 3.896) 4.891 23.353 ( -1.141 0.000 -0.008) 1.141 23.363 ( 1.096 0.000 -0.274) 1.130 23.686 ( -1.576 0.000 -1.430) 2.128 23.724 ( -24.545 0.000 3.928) 24.858 23.793 ( -3.050 0.000 -3.982) 5.016 23.860 ( 4.256 0.000 -1.655) 4.567 23.970 ( 4.337 0.000 0.974) 4.445 24.006 ( 0.772 0.000 -0.347) 0.846 24.051 ( -1.306 0.000 -0.509) 1.401 24.061 ( 0.394 0.000 0.956) 1.034 24.154 ( -0.708 0.000 -0.673) 0.977 24.223 ( -0.969 0.000 1.128) 1.488 24.282 ( -0.657 0.000 -2.384) 2.473 24.382 ( 3.018 0.000 0.471) 3.055 24.496 ( 5.150 0.000 -1.162) 5.280 24.885 ( 1.735 0.000 2.287) 2.871 25.023 ( -18.122 0.000 -0.614) 18.132 25.057 ( -1.212 0.000 0.235) 1.234 25.128 ( 1.438 0.000 -2.087) 2.535 25.201 ( -1.822 0.000 -0.100) 1.825 25.267 ( 26.312 0.000 -1.316) 26.345 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 19.998 0.000 9.138) 21.987 0.632 ( 13.528 0.000 16.090) 21.021 1.246 ( 25.125 0.000 28.606) 38.074 1.467 ( 8.768 0.000 -0.630) 8.791 1.492 ( 3.111 0.000 5.406) 6.237 1.710 ( 5.178 0.000 10.565) 11.765 1.897 ( -2.185 0.000 -3.984) 4.544 1.922 ( -0.846 0.000 -2.452) 2.593 1.969 ( 4.227 0.000 1.529) 4.495 2.105 ( 3.629 0.000 -1.633) 3.980 2.196 ( -3.340 0.000 0.713) 3.415 2.285 ( -1.656 0.000 2.221) 2.771 2.336 ( -7.469 0.000 5.897) 9.516 2.403 ( 4.610 0.000 -2.375) 5.185 2.436 ( -0.168 0.000 -5.783) 5.786 2.454 ( 0.906 0.000 -2.102) 2.289 2.508 ( -1.740 0.000 -3.873) 4.246 2.524 ( -7.309 0.000 -6.036) 9.479 2.601 ( -7.801 0.000 2.104) 8.080 2.627 ( 1.957 0.000 3.387) 3.911 2.720 ( -4.823 0.000 -7.132) 8.610 2.794 ( -0.534 0.000 -3.903) 3.940 2.812 ( -3.326 0.000 0.433) 3.355 3.006 ( 3.082 0.000 2.236) 3.807 3.034 ( -2.914 0.000 -2.185) 3.643 3.176 ( -3.587 0.000 2.188) 4.202 3.224 ( -3.659 0.000 2.142) 4.240 3.231 ( -2.068 0.000 8.684) 8.927 3.337 ( -1.254 0.000 2.489) 2.787 3.412 ( 0.964 0.000 -4.327) 4.433 3.458 ( 6.279 0.000 -5.916) 8.627 3.559 ( 8.033 0.000 5.252) 9.598 3.653 ( -0.304 0.000 -4.143) 4.155 3.749 ( -2.512 0.000 2.465) 3.519 3.780 ( -0.968 0.000 -9.966) 10.013 3.871 ( 2.666 0.000 5.162) 5.810 4.084 ( -4.899 0.000 8.777) 10.052 4.118 ( 2.286 0.000 -0.516) 2.344 4.137 ( 5.988 0.000 -6.963) 9.184 4.156 ( 1.047 0.000 -4.038) 4.171 4.186 ( 2.855 0.000 7.779) 8.286 4.215 ( -0.357 0.000 5.058) 5.071 4.295 ( 1.387 0.000 6.971) 7.108 4.355 ( -1.522 0.000 3.147) 3.496 4.444 ( 0.750 0.000 -0.734) 1.049 4.566 ( -13.405 0.000 -6.173) 14.758 4.756 ( 0.634 0.000 -6.972) 7.000 4.788 ( -22.802 0.000 16.715) 28.273 4.811 ( -2.884 0.000 -2.488) 3.809 4.898 ( 3.406 0.000 -2.611) 4.292 4.949 ( 1.288 0.000 -0.281) 1.318 5.009 ( -0.957 0.000 3.256) 3.393 5.052 ( -4.127 0.000 -1.365) 4.347 5.217 ( 2.318 0.000 -1.657) 2.850 5.293 ( 3.074 0.000 -0.365) 3.096 5.362 ( -2.684 0.000 1.251) 2.961 5.503 ( 8.635 0.000 -1.959) 8.854 5.545 ( -0.497 0.000 -0.803) 0.944 5.669 ( 3.153 0.000 -2.253) 3.875 5.734 ( -0.498 0.000 -3.327) 3.364 5.906 ( -1.838 0.000 -0.643) 1.947 6.088 ( -1.923 0.000 2.916) 3.493 6.204 ( 8.149 0.000 -3.110) 8.722 6.228 ( -0.862 0.000 -3.684) 3.783 6.449 ( -2.631 0.000 1.822) 3.200 6.677 ( 1.486 0.000 1.838) 2.364 6.695 ( -3.907 0.000 -4.888) 6.258 6.852 ( 11.358 0.000 -12.725) 17.057 6.853 ( 2.547 0.000 -0.229) 2.558 7.122 ( 0.146 0.000 -1.268) 1.277 7.178 ( -0.743 0.000 2.402) 2.514 7.306 ( -0.348 0.000 1.209) 1.258 7.820 ( -1.600 0.000 -1.182) 1.990 7.886 ( 1.146 0.000 -0.855) 1.429 8.010 ( 2.347 0.000 -5.517) 5.996 8.106 ( 0.306 0.000 -3.520) 3.533 8.184 ( 0.851 0.000 1.923) 2.103 8.189 ( 0.660 0.000 0.408) 0.776 8.514 ( -1.075 0.000 5.585) 5.687 8.757 ( 0.294 0.000 0.117) 0.317 9.095 ( 1.029 0.000 1.936) 2.193 9.187 ( 2.206 0.000 -4.352) 4.879 9.283 ( -2.642 0.000 0.587) 2.706 9.322 ( -1.578 0.000 1.213) 1.990 9.357 ( 0.696 0.000 -0.480) 0.846 9.390 ( -0.000 0.000 -0.404) 0.404 9.606 ( 1.111 0.000 -1.282) 1.697 9.729 ( 1.844 0.000 -0.968) 2.082 9.843 ( -1.571 0.000 4.832) 5.081 9.898 ( 0.024 0.000 7.061) 7.061 10.122 ( -0.692 0.000 -3.956) 4.016 10.231 ( -0.620 0.000 -0.192) 0.649 11.855 ( 0.028 0.000 0.638) 0.638 12.002 ( -0.093 0.000 -2.498) 2.500 12.095 ( -2.692 0.000 -0.922) 2.845 12.109 ( 2.468 0.000 1.405) 2.840 12.223 ( 0.705 0.000 3.013) 3.095 12.242 ( -4.548 0.000 4.512) 6.406 12.290 ( -3.202 0.000 -2.348) 3.971 12.449 ( 0.682 0.000 0.180) 0.705 13.205 ( -0.657 0.000 0.074) 0.662 13.213 ( 0.980 0.000 1.445) 1.746 13.290 ( 0.363 0.000 0.286) 0.462 13.330 ( -0.229 0.000 -0.034) 0.232 13.469 ( 2.091 0.000 1.949) 2.859 13.544 ( 0.789 0.000 0.985) 1.262 13.635 ( -0.232 0.000 -0.217) 0.318 13.765 ( 2.333 0.000 -1.642) 2.853 13.947 ( 1.067 0.000 0.855) 1.368 13.979 ( 0.507 0.000 -2.033) 2.096 14.096 ( 0.243 0.000 0.140) 0.280 14.117 ( 0.135 0.000 2.232) 2.236 14.206 ( -0.284 0.000 -0.310) 0.421 14.327 ( -4.941 0.000 1.989) 5.327 14.370 ( -4.240 0.000 9.142) 10.077 14.555 ( 3.888 0.000 -4.324) 5.815 14.992 ( -0.068 0.000 -3.904) 3.905 14.998 ( 0.032 0.000 2.188) 2.188 15.288 ( -1.178 0.000 -3.040) 3.261 15.570 ( 10.625 0.000 -9.441) 14.214 15.696 ( 2.445 0.000 0.832) 2.583 15.756 ( 6.627 0.000 -1.025) 6.706 15.991 ( -1.925 0.000 1.909) 2.711 16.061 ( -6.743 0.000 -2.063) 7.051 22.151 ( -0.018 0.000 -0.655) 0.655 22.155 ( -0.889 0.000 -1.323) 1.594 22.546 ( -1.831 0.000 -0.088) 1.834 22.562 ( -7.612 0.000 10.461) 12.937 22.602 ( 0.622 0.000 0.110) 0.632 22.672 ( -1.420 0.000 -2.800) 3.139 22.828 ( 1.350 0.000 5.660) 5.819 22.878 ( 2.968 0.000 -1.500) 3.325 22.963 ( -0.198 0.000 4.527) 4.531 23.241 ( -0.546 0.000 -1.556) 1.649 23.245 ( -4.748 0.000 4.898) 6.821 23.296 ( -3.584 0.000 -0.275) 3.595 23.372 ( 0.551 0.000 1.903) 1.981 23.544 ( 2.317 0.000 2.532) 3.432 23.635 ( -2.871 0.000 -4.116) 5.018 23.747 ( -1.421 0.000 -1.907) 2.378 23.913 ( 1.616 0.000 -2.418) 2.909 23.952 ( -5.669 0.000 -0.794) 5.724 24.007 ( -0.048 0.000 -0.050) 0.069 24.055 ( 2.437 0.000 0.797) 2.564 24.093 ( 2.117 0.000 1.758) 2.752 24.170 ( 1.723 0.000 -0.690) 1.856 24.208 ( -0.611 0.000 0.909) 1.095 24.289 ( 0.159 0.000 -1.367) 1.376 24.455 ( 4.562 0.000 -0.050) 4.562 24.457 ( -6.178 0.000 -3.927) 7.320 24.787 ( -7.523 0.000 7.913) 10.919 24.902 ( -0.827 0.000 1.634) 1.831 25.034 ( -0.272 0.000 0.467) 0.541 25.198 ( 6.908 0.000 -3.551) 7.767 25.219 ( 3.134 0.000 -0.512) 3.176 25.642 ( 8.522 0.000 -10.132) 13.239 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 20.297 0.000 8.229) 21.902 0.977 ( 19.547 0.000 6.604) 20.632 1.404 ( -9.581 0.000 11.806) 15.204 1.593 ( 2.813 0.000 0.941) 2.966 1.708 ( 17.440 0.000 7.518) 18.991 1.770 ( -9.755 0.000 4.694) 10.826 1.888 ( -4.342 0.000 -2.720) 5.124 2.012 ( 1.282 0.000 0.683) 1.452 2.018 ( 17.940 0.000 3.551) 18.288 2.065 ( -7.334 0.000 -6.835) 10.025 2.144 ( 1.654 0.000 -2.175) 2.732 2.243 ( -5.286 0.000 3.540) 6.361 2.308 ( 2.051 0.000 -1.872) 2.777 2.308 ( -4.616 0.000 1.362) 4.812 2.385 ( 1.399 0.000 -1.531) 2.074 2.451 ( -1.107 0.000 -1.136) 1.586 2.466 ( -3.350 0.000 -9.546) 10.117 2.501 ( 1.338 0.000 2.689) 3.003 2.580 ( -3.313 0.000 -5.575) 6.485 2.654 ( 7.092 0.000 -9.015) 11.470 2.697 ( 2.346 0.000 1.042) 2.567 2.793 ( -0.104 0.000 -7.062) 7.063 2.798 ( 1.478 0.000 -1.787) 2.319 2.982 ( -2.314 0.000 4.571) 5.124 3.056 ( -7.236 0.000 3.832) 8.188 3.074 ( 8.926 0.000 0.568) 8.944 3.181 ( -2.819 0.000 4.965) 5.710 3.244 ( -1.906 0.000 6.735) 6.999 3.362 ( 6.377 0.000 1.559) 6.565 3.389 ( -2.483 0.000 -5.916) 6.416 3.546 ( -1.067 0.000 5.954) 6.049 3.582 ( -7.698 0.000 6.764) 10.247 3.661 ( 4.374 0.000 -2.789) 5.187 3.748 ( 2.948 0.000 2.221) 3.691 3.782 ( 0.663 0.000 -8.500) 8.526 3.858 ( -11.296 0.000 7.481) 13.549 3.937 ( -4.075 0.000 10.600) 11.357 4.122 ( -5.810 0.000 -2.982) 6.531 4.157 ( -1.905 0.000 -2.269) 2.962 4.204 ( -5.753 0.000 6.664) 8.803 4.232 ( 7.398 0.000 -1.215) 7.497 4.235 ( -3.940 0.000 6.556) 7.649 4.256 ( 5.413 0.000 -4.584) 7.093 4.358 ( 1.435 0.000 0.532) 1.530 4.391 ( -0.093 0.000 5.025) 5.026 4.490 ( 3.399 0.000 -2.471) 4.202 4.563 ( -2.484 0.000 6.509) 6.967 4.733 ( -5.390 0.000 -2.609) 5.989 4.769 ( 0.729 0.000 -5.591) 5.638 4.957 ( -0.929 0.000 0.297) 0.975 4.964 ( 2.459 0.000 -2.412) 3.445 4.997 ( 0.200 0.000 4.196) 4.201 5.004 ( -1.124 0.000 0.689) 1.318 5.216 ( -1.922 0.000 1.540) 2.463 5.356 ( 2.707 0.000 -0.533) 2.759 5.401 ( 6.916 0.000 -7.503) 10.204 5.532 ( -0.241 0.000 -3.742) 3.750 5.599 ( 2.436 0.000 -0.117) 2.439 5.704 ( -0.564 0.000 1.115) 1.250 5.723 ( -0.277 0.000 -2.502) 2.517 5.916 ( 3.315 0.000 -2.498) 4.150 6.007 ( -6.728 0.000 4.806) 8.268 6.175 ( -4.007 0.000 1.006) 4.132 6.352 ( 6.185 0.000 -5.947) 8.580 6.393 ( -2.808 0.000 0.654) 2.883 6.621 ( -1.550 0.000 -4.571) 4.827 6.695 ( 0.173 0.000 0.771) 0.790 6.861 ( 0.039 0.000 3.401) 3.401 6.932 ( -1.481 0.000 -8.708) 8.833 7.152 ( 2.177 0.000 -2.771) 3.524 7.174 ( 0.308 0.000 1.370) 1.404 7.320 ( 1.081 0.000 -1.562) 1.900 7.797 ( -0.432 0.000 -0.726) 0.845 7.892 ( -0.496 0.000 -1.159) 1.261 8.059 ( 2.508 0.000 -6.186) 6.676 8.094 ( -1.100 0.000 -2.943) 3.142 8.196 ( -0.062 0.000 1.211) 1.212 8.231 ( 2.985 0.000 1.605) 3.389 8.517 ( 0.986 0.000 4.866) 4.965 8.756 ( -0.448 0.000 -0.270) 0.523 9.115 ( 0.757 0.000 2.941) 3.037 9.219 ( 0.474 0.000 0.027) 0.475 9.262 ( 0.973 0.000 -2.537) 2.717 9.272 ( -2.637 0.000 1.649) 3.110 9.377 ( 1.551 0.000 -2.112) 2.620 9.412 ( 1.291 0.000 -1.692) 2.129 9.608 ( -0.359 0.000 0.433) 0.563 9.728 ( -2.176 0.000 0.851) 2.337 9.825 ( -0.325 0.000 4.912) 4.923 9.896 ( -0.583 0.000 6.029) 6.057 10.115 ( -0.089 0.000 -4.315) 4.316 10.233 ( 0.823 0.000 -0.899) 1.219 11.858 ( 0.254 0.000 0.500) 0.561 11.995 ( -0.410 0.000 -2.435) 2.469 12.066 ( -0.615 0.000 -0.903) 1.093 12.155 ( 1.519 0.000 1.225) 1.951 12.169 ( -2.190 0.000 3.708) 4.306 12.230 ( -2.207 0.000 -1.838) 2.872 12.255 ( 1.284 0.000 3.210) 3.457 12.455 ( -0.114 0.000 0.182) 0.215 13.195 ( -0.275 0.000 0.160) 0.319 13.238 ( 1.096 0.000 0.144) 1.105 13.302 ( 0.611 0.000 -1.149) 1.302 13.334 ( 0.334 0.000 -1.223) 1.268 13.488 ( 0.184 0.000 4.211) 4.215 13.577 ( -4.296 0.000 4.886) 6.506 13.597 ( 3.604 0.000 -0.493) 3.638 13.812 ( 1.807 0.000 -2.385) 2.992 13.948 ( -0.709 0.000 1.042) 1.261 14.002 ( 1.921 0.000 -1.935) 2.726 14.106 ( -1.372 0.000 2.364) 2.733 14.122 ( 1.892 0.000 0.772) 2.043 14.218 ( 1.054 0.000 -2.526) 2.737 14.238 ( -3.331 0.000 0.288) 3.344 14.340 ( -0.501 0.000 6.055) 6.076 14.652 ( 5.112 0.000 -4.852) 7.048 14.951 ( -4.209 0.000 1.576) 4.495 15.018 ( 2.962 0.000 -5.997) 6.689 15.302 ( 2.419 0.000 1.276) 2.735 15.609 ( -1.493 0.000 -0.135) 1.499 15.747 ( 2.354 0.000 -0.583) 2.425 15.882 ( 1.821 0.000 -2.508) 3.099 15.932 ( -3.887 0.000 2.131) 4.433 15.947 ( -2.187 0.000 -2.743) 3.508 22.145 ( 0.014 0.000 -1.885) 1.885 22.149 ( -0.063 0.000 -0.675) 0.678 22.467 ( -2.871 0.000 7.095) 7.654 22.515 ( -1.044 0.000 -0.292) 1.084 22.628 ( 1.899 0.000 0.211) 1.911 22.675 ( 0.640 0.000 -3.705) 3.759 22.819 ( -2.718 0.000 5.363) 6.012 22.938 ( 2.510 0.000 -0.040) 2.510 22.978 ( 1.678 0.000 5.099) 5.368 23.181 ( -1.927 0.000 2.471) 3.133 23.210 ( -1.416 0.000 -0.182) 1.428 23.252 ( -1.424 0.000 -0.672) 1.575 23.380 ( -0.060 0.000 2.903) 2.904 23.591 ( 0.615 0.000 -0.168) 0.637 23.597 ( -0.271 0.000 -2.969) 2.981 23.728 ( -0.363 0.000 -2.009) 2.042 23.848 ( -4.281 0.000 -1.504) 4.537 23.938 ( 1.628 0.000 -3.698) 4.041 24.014 ( 0.703 0.000 -0.940) 1.174 24.092 ( 1.170 0.000 -0.063) 1.172 24.133 ( 1.464 0.000 1.727) 2.264 24.196 ( 1.046 0.000 -0.381) 1.113 24.204 ( 0.526 0.000 1.392) 1.488 24.276 ( -1.133 0.000 0.076) 1.136 24.340 ( -4.551 0.000 -3.176) 5.550 24.540 ( 3.506 0.000 -2.675) 4.410 24.683 ( -4.402 0.000 8.117) 9.234 24.863 ( -2.437 0.000 -0.756) 2.551 25.051 ( 1.318 0.000 2.274) 2.628 25.292 ( 3.675 0.000 1.004) 3.809 25.341 ( 7.243 0.000 -5.923) 9.356 25.685 ( -1.611 0.000 -4.678) 4.948 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -12.133 0.000 6.403) 13.719 1.340 ( 14.558 0.000 -0.508) 14.567 1.373 ( 11.668 0.000 16.770) 20.430 1.458 ( -14.526 0.000 5.526) 15.542 1.687 ( -3.027 0.000 -0.099) 3.028 1.726 ( -3.294 0.000 2.892) 4.383 1.921 ( -3.951 0.000 4.542) 6.020 1.959 ( 7.885 0.000 -9.046) 12.000 2.025 ( -2.191 0.000 -4.997) 5.456 2.105 ( -0.811 0.000 -1.549) 1.749 2.146 ( -3.616 0.000 -0.660) 3.675 2.225 ( 0.390 0.000 -7.478) 7.489 2.302 ( -1.394 0.000 -7.959) 8.080 2.308 ( -3.050 0.000 -3.742) 4.827 2.418 ( 2.458 0.000 -0.168) 2.464 2.434 ( -0.002 0.000 1.149) 1.149 2.527 ( 7.594 0.000 -2.204) 7.907 2.568 ( 5.021 0.000 4.868) 6.994 2.612 ( -1.836 0.000 -2.362) 2.991 2.634 ( -2.035 0.000 -4.473) 4.914 2.725 ( -0.101 0.000 -3.553) 3.555 2.804 ( 2.545 0.000 -3.495) 4.323 2.883 ( 7.238 0.000 0.315) 7.245 2.924 ( -5.298 0.000 8.493) 10.010 3.059 ( -4.606 0.000 2.605) 5.291 3.145 ( 0.079 0.000 2.876) 2.878 3.169 ( 6.864 0.000 3.106) 7.534 3.288 ( -3.673 0.000 -0.993) 3.805 3.310 ( -13.702 0.000 4.130) 14.311 3.350 ( 12.147 0.000 -2.861) 12.479 3.480 ( 4.750 0.000 9.009) 10.184 3.505 ( -1.711 0.000 2.573) 3.090 3.659 ( -6.421 0.000 10.604) 12.396 3.739 ( -2.211 0.000 -4.504) 5.017 3.762 ( 2.261 0.000 -2.964) 3.728 3.799 ( 1.094 0.000 4.003) 4.150 3.940 ( 0.746 0.000 7.158) 7.196 4.022 ( -2.824 0.000 3.720) 4.670 4.070 ( -4.812 0.000 6.380) 7.991 4.093 ( -4.120 0.000 -7.147) 8.250 4.221 ( -0.801 0.000 5.568) 5.625 4.349 ( 2.333 0.000 -3.348) 4.081 4.353 ( 3.461 0.000 -0.383) 3.483 4.380 ( 2.337 0.000 -1.587) 2.825 4.402 ( 0.601 0.000 5.018) 5.054 4.547 ( 1.898 0.000 -2.789) 3.373 4.620 ( 6.280 0.000 3.449) 7.164 4.647 ( -2.497 0.000 -0.250) 2.509 4.761 ( -0.943 0.000 -3.908) 4.020 4.935 ( -0.524 0.000 -0.260) 0.585 4.948 ( -3.651 0.000 -1.300) 3.875 5.006 ( -0.368 0.000 3.197) 3.218 5.038 ( 4.218 0.000 1.414) 4.449 5.216 ( 2.203 0.000 -1.103) 2.464 5.368 ( -1.786 0.000 0.736) 1.932 5.517 ( -0.946 0.000 -5.198) 5.283 5.553 ( 7.568 0.000 -8.125) 11.104 5.622 ( -0.958 0.000 -3.330) 3.465 5.670 ( -1.334 0.000 2.559) 2.886 5.738 ( 2.272 0.000 -4.130) 4.714 5.847 ( -8.586 0.000 4.161) 9.541 5.983 ( 2.333 0.000 0.377) 2.363 6.094 ( -3.966 0.000 6.113) 7.287 6.358 ( -0.379 0.000 -0.994) 1.064 6.410 ( 1.343 0.000 -7.856) 7.970 6.641 ( 1.877 0.000 -4.609) 4.976 6.687 ( -0.836 0.000 -0.765) 1.134 6.858 ( -0.611 0.000 3.461) 3.514 6.865 ( -3.706 0.000 -4.857) 6.109 7.183 ( 1.294 0.000 -3.490) 3.722 7.191 ( 1.208 0.000 1.495) 1.922 7.334 ( 0.531 0.000 -2.226) 2.289 7.803 ( 0.868 0.000 0.110) 0.875 7.867 ( -1.700 0.000 -1.906) 2.554 8.067 ( -1.294 0.000 -3.608) 3.833 8.084 ( 0.287 0.000 -5.291) 5.299 8.189 ( -0.606 0.000 1.425) 1.548 8.286 ( 2.368 0.000 2.275) 3.284 8.549 ( 1.698 0.000 5.018) 5.297 8.744 ( -0.569 0.000 -0.905) 1.069 9.114 ( -1.293 0.000 1.970) 2.357 9.211 ( -0.971 0.000 2.087) 2.302 9.250 ( 0.636 0.000 1.893) 1.997 9.296 ( 1.926 0.000 -2.514) 3.167 9.417 ( 2.772 0.000 -4.240) 5.066 9.422 ( -0.273 0.000 -1.955) 1.974 9.601 ( -0.382 0.000 1.421) 1.471 9.663 ( -4.053 0.000 2.717) 4.880 9.826 ( -0.126 0.000 3.747) 3.749 9.889 ( -0.423 0.000 5.335) 5.352 10.116 ( 0.693 0.000 -3.315) 3.387 10.254 ( 1.244 0.000 -1.337) 1.826 11.863 ( 0.164 0.000 0.538) 0.563 11.987 ( -0.179 0.000 -2.374) 2.380 12.057 ( -0.317 0.000 -0.670) 0.741 12.136 ( -2.513 0.000 -1.408) 2.881 12.155 ( 0.393 0.000 2.588) 2.618 12.239 ( 2.364 0.000 0.714) 2.470 12.293 ( 2.522 0.000 4.961) 5.566 12.447 ( -0.596 0.000 -0.291) 0.663 13.195 ( 0.277 0.000 0.317) 0.421 13.245 ( -0.432 0.000 -1.559) 1.618 13.311 ( 0.518 0.000 -1.462) 1.551 13.335 ( -0.124 0.000 -1.563) 1.568 13.490 ( -0.428 0.000 4.662) 4.682 13.498 ( -3.939 0.000 4.727) 6.153 13.649 ( 1.205 0.000 0.353) 1.256 13.816 ( -1.049 0.000 -2.612) 2.814 13.939 ( -0.228 0.000 0.388) 0.450 14.034 ( 0.679 0.000 -0.778) 1.033 14.084 ( -0.452 0.000 0.857) 0.968 14.150 ( 0.582 0.000 2.535) 2.601 14.201 ( -0.452 0.000 -0.594) 0.746 14.233 ( 0.667 0.000 -2.184) 2.283 14.344 ( 0.455 0.000 3.645) 3.673 14.728 ( 2.897 0.000 -1.427) 3.229 14.878 ( -2.576 0.000 -2.978) 3.938 15.081 ( 3.226 0.000 -5.743) 6.587 15.352 ( 1.663 0.000 5.787) 6.021 15.569 ( -2.157 0.000 0.723) 2.275 15.768 ( -0.653 0.000 -1.446) 1.587 15.798 ( -5.691 0.000 -4.935) 7.533 15.874 ( -1.142 0.000 1.025) 1.535 16.002 ( 3.800 0.000 0.556) 3.840 22.147 ( -0.093 0.000 -0.786) 0.792 22.149 ( 0.478 0.000 -2.074) 2.128 22.441 ( -0.340 0.000 4.529) 4.542 22.514 ( 1.051 0.000 0.241) 1.078 22.670 ( 2.186 0.000 -0.152) 2.191 22.686 ( 0.705 0.000 -3.008) 3.090 22.745 ( -4.560 0.000 4.014) 6.075 22.964 ( 0.525 0.000 2.509) 2.563 23.033 ( 2.752 0.000 5.223) 5.904 23.178 ( 1.495 0.000 3.338) 3.658 23.206 ( 0.830 0.000 0.937) 1.252 23.225 ( -1.086 0.000 -1.757) 2.065 23.368 ( -1.486 0.000 1.806) 2.339 23.571 ( -1.343 0.000 -1.359) 1.910 23.626 ( 3.134 0.000 0.307) 3.149 23.735 ( 1.270 0.000 -2.214) 2.552 23.794 ( -1.056 0.000 -2.157) 2.402 23.973 ( 1.971 0.000 -5.804) 6.129 24.026 ( 0.509 0.000 -0.746) 0.903 24.094 ( -0.898 0.000 -1.099) 1.419 24.136 ( -0.785 0.000 2.842) 2.948 24.218 ( 1.286 0.000 -0.400) 1.347 24.246 ( 2.998 0.000 -0.652) 3.068 24.253 ( -1.217 0.000 0.522) 1.325 24.284 ( -1.272 0.000 -0.345) 1.318 24.561 ( -1.412 0.000 -4.980) 5.176 24.622 ( -2.222 0.000 7.998) 8.301 24.829 ( -0.715 0.000 -0.682) 0.988 25.074 ( 0.755 0.000 2.710) 2.813 25.343 ( 1.131 0.000 2.444) 2.693 25.454 ( 4.614 0.000 -8.438) 9.617 25.608 ( -5.801 0.000 -2.126) 6.178 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -17.358 0.000 9.572) 19.823 1.106 ( -19.070 0.000 11.229) 22.130 1.426 ( -6.816 0.000 -7.256) 9.955 1.556 ( 3.554 0.000 18.858) 19.190 1.679 ( 7.628 0.000 -1.619) 7.798 1.789 ( -11.314 0.000 8.041) 13.881 1.859 ( 7.902 0.000 0.579) 7.923 1.974 ( -16.027 0.000 0.195) 16.028 1.978 ( 1.642 0.000 0.417) 1.694 2.059 ( -3.618 0.000 -10.407) 11.018 2.157 ( -10.327 0.000 0.748) 10.354 2.158 ( 3.067 0.000 -3.235) 4.457 2.203 ( 1.444 0.000 -3.087) 3.408 2.290 ( 1.695 0.000 -10.214) 10.353 2.403 ( 1.124 0.000 4.168) 4.317 2.420 ( -0.536 0.000 -1.028) 1.159 2.533 ( 0.988 0.000 0.013) 0.988 2.625 ( 0.509 0.000 -4.459) 4.488 2.654 ( 2.182 0.000 -4.098) 4.643 2.656 ( 1.589 0.000 6.632) 6.819 2.707 ( 0.187 0.000 -1.086) 1.102 2.796 ( 3.585 0.000 -4.216) 5.534 2.846 ( 1.456 0.000 -0.272) 1.481 2.981 ( -3.644 0.000 3.141) 4.811 3.105 ( -1.518 0.000 4.947) 5.174 3.161 ( -5.777 0.000 -0.455) 5.795 3.163 ( 10.695 0.000 1.196) 10.762 3.193 ( 3.848 0.000 4.568) 5.973 3.375 ( 5.737 0.000 2.775) 6.373 3.473 ( -1.005 0.000 -0.826) 1.300 3.530 ( -6.872 0.000 9.765) 11.941 3.547 ( -0.460 0.000 0.169) 0.490 3.630 ( 6.378 0.000 0.095) 6.378 3.686 ( 4.499 0.000 -6.126) 7.600 3.800 ( -3.049 0.000 5.648) 6.418 3.805 ( -0.364 0.000 -5.603) 5.614 3.885 ( -0.355 0.000 8.490) 8.498 3.969 ( -4.372 0.000 -3.907) 5.864 4.076 ( 5.380 0.000 -1.402) 5.560 4.121 ( 6.047 0.000 5.206) 7.979 4.206 ( -1.073 0.000 5.965) 6.061 4.310 ( -5.709 0.000 2.425) 6.203 4.349 ( -2.538 0.000 0.978) 2.720 4.437 ( 1.322 0.000 -2.279) 2.634 4.449 ( 5.140 0.000 1.657) 5.400 4.547 ( -1.622 0.000 -0.396) 1.670 4.620 ( -0.888 0.000 0.232) 0.917 4.760 ( 1.365 0.000 -5.556) 5.721 4.782 ( 9.444 0.000 5.310) 10.834 4.892 ( -0.640 0.000 -0.549) 0.843 4.947 ( 1.581 0.000 -1.084) 1.917 4.979 ( -2.564 0.000 2.335) 3.468 5.097 ( 0.458 0.000 1.685) 1.747 5.241 ( -1.431 0.000 3.564) 3.841 5.308 ( -3.249 0.000 -0.539) 3.294 5.492 ( -0.814 0.000 -4.891) 4.959 5.566 ( -3.668 0.000 -4.809) 6.048 5.627 ( -3.055 0.000 -0.436) 3.086 5.663 ( -1.260 0.000 -5.713) 5.850 5.676 ( 1.196 0.000 2.171) 2.478 5.895 ( 9.270 0.000 -6.776) 11.482 5.988 ( -1.473 0.000 1.564) 2.148 6.053 ( -0.513 0.000 7.376) 7.394 6.379 ( 2.427 0.000 -0.922) 2.597 6.416 ( -1.114 0.000 -7.134) 7.220 6.612 ( -4.382 0.000 -3.760) 5.774 6.666 ( -1.155 0.000 -1.477) 1.875 6.814 ( -1.609 0.000 -4.226) 4.522 6.846 ( -0.692 0.000 2.836) 2.920 7.196 ( 0.160 0.000 -4.601) 4.604 7.214 ( 0.688 0.000 2.546) 2.637 7.343 ( 0.703 0.000 -1.157) 1.354 7.824 ( 1.171 0.000 0.435) 1.249 7.834 ( -1.235 0.000 -2.619) 2.896 8.048 ( -0.138 0.000 -4.547) 4.549 8.063 ( -1.885 0.000 -4.228) 4.629 8.177 ( -0.640 0.000 0.809) 1.031 8.322 ( 1.142 0.000 2.557) 2.800 8.579 ( 0.679 0.000 5.653) 5.693 8.737 ( -0.075 0.000 -1.327) 1.330 9.082 ( -1.627 0.000 0.220) 1.642 9.187 ( -1.538 0.000 0.785) 1.727 9.284 ( 2.063 0.000 1.483) 2.541 9.324 ( 1.077 0.000 -0.728) 1.300 9.407 ( -0.670 0.000 -1.301) 1.463 9.467 ( 1.842 0.000 -4.447) 4.814 9.593 ( -2.491 0.000 2.213) 3.332 9.594 ( -0.564 0.000 1.663) 1.757 9.828 ( 0.212 0.000 3.445) 3.452 9.888 ( -0.162 0.000 5.385) 5.387 10.139 ( 1.738 0.000 -2.438) 2.994 10.276 ( 1.093 0.000 -1.517) 1.870 11.864 ( -0.169 0.000 0.695) 0.715 11.987 ( 0.418 0.000 -2.380) 2.416 12.058 ( 0.611 0.000 0.830) 1.031 12.089 ( -2.021 0.000 -1.332) 2.421 12.176 ( 1.349 0.000 1.622) 2.109 12.293 ( 3.007 0.000 0.740) 3.097 12.363 ( 4.313 0.000 6.001) 7.390 12.433 ( -0.774 0.000 -1.145) 1.382 13.206 ( 0.695 0.000 0.665) 0.961 13.223 ( -1.255 0.000 -1.183) 1.724 13.321 ( 0.599 0.000 -0.961) 1.133 13.327 ( -0.738 0.000 -2.652) 2.753 13.436 ( -2.756 0.000 3.582) 4.520 13.467 ( -2.519 0.000 4.057) 4.775 13.641 ( -1.727 0.000 1.670) 2.402 13.782 ( -1.947 0.000 -2.797) 3.408 13.928 ( -1.041 0.000 -0.832) 1.332 14.023 ( -1.228 0.000 -0.283) 1.261 14.083 ( -0.024 0.000 0.487) 0.488 14.157 ( 0.363 0.000 5.401) 5.413 14.222 ( 2.339 0.000 -1.056) 2.566 14.242 ( 0.321 0.000 -0.793) 0.855 14.364 ( 1.706 0.000 1.681) 2.396 14.778 ( 2.536 0.000 1.441) 2.917 14.840 ( -1.746 0.000 -4.529) 4.854 15.111 ( -0.179 0.000 -2.970) 2.976 15.357 ( -1.218 0.000 5.212) 5.353 15.514 ( -4.936 0.000 -7.117) 8.661 15.697 ( -3.398 0.000 -3.233) 4.690 15.733 ( -2.128 0.000 -0.441) 2.173 15.895 ( 2.619 0.000 -0.648) 2.698 16.075 ( 3.587 0.000 2.387) 4.308 22.146 ( 0.021 0.000 -0.853) 0.854 22.157 ( 0.455 0.000 -1.835) 1.891 22.458 ( 1.819 0.000 3.124) 3.615 22.553 ( 2.689 0.000 0.808) 2.808 22.663 ( -3.632 0.000 2.844) 4.613 22.700 ( 1.056 0.000 -2.188) 2.429 22.706 ( 1.182 0.000 -0.199) 1.198 22.969 ( -0.205 0.000 4.113) 4.118 23.082 ( 2.209 0.000 6.150) 6.534 23.211 ( 0.006 0.000 -2.421) 2.421 23.234 ( 3.249 0.000 5.247) 6.172 23.248 ( 3.274 0.000 1.017) 3.428 23.325 ( -2.616 0.000 -0.533) 2.670 23.579 ( 2.889 0.000 -1.423) 3.221 23.693 ( 2.168 0.000 2.785) 3.530 23.768 ( 3.061 0.000 -1.430) 3.378 23.814 ( 2.913 0.000 -3.886) 4.857 23.991 ( 0.175 0.000 -6.213) 6.216 24.035 ( 0.499 0.000 0.165) 0.525 24.064 ( -1.775 0.000 -1.116) 2.097 24.130 ( 0.128 0.000 5.021) 5.023 24.214 ( -1.832 0.000 0.258) 1.850 24.248 ( -1.606 0.000 -2.397) 2.885 24.261 ( 2.189 0.000 -0.538) 2.255 24.312 ( 2.206 0.000 1.408) 2.617 24.487 ( -5.315 0.000 -5.265) 7.481 24.630 ( 3.153 0.000 7.258) 7.913 24.831 ( 0.740 0.000 -0.156) 0.756 25.081 ( -0.236 0.000 2.119) 2.132 25.334 ( -2.205 0.000 3.045) 3.760 25.461 ( -8.151 0.000 -1.402) 8.271 25.499 ( -0.657 0.000 -11.697) 11.715 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -9.599 0.000 18.570) 20.904 0.752 ( -17.386 0.000 17.841) 24.911 1.278 ( -34.158 0.000 22.005) 40.632 1.304 ( -3.384 0.000 -8.732) 9.365 1.517 ( -7.471 0.000 14.086) 15.944 1.809 ( -2.069 0.000 7.940) 8.205 1.816 ( 5.204 0.000 0.561) 5.234 1.912 ( -7.629 0.000 7.112) 10.430 1.944 ( 2.582 0.000 -3.010) 3.966 2.048 ( 3.991 0.000 -7.930) 8.878 2.056 ( -1.385 0.000 -7.519) 7.645 2.219 ( 0.001 0.000 -4.088) 4.088 2.252 ( 4.643 0.000 -1.605) 4.913 2.313 ( 3.153 0.000 1.321) 3.419 2.466 ( 2.967 0.000 -3.484) 4.576 2.479 ( 4.224 0.000 -4.803) 6.397 2.568 ( -0.302 0.000 -0.134) 0.330 2.636 ( -0.596 0.000 5.342) 5.375 2.659 ( 4.405 0.000 -2.743) 5.189 2.728 ( -0.505 0.000 -0.033) 0.506 2.765 ( 7.330 0.000 -0.359) 7.339 2.858 ( -5.949 0.000 1.179) 6.064 2.862 ( 0.341 0.000 -0.367) 0.501 2.938 ( 9.813 0.000 -3.282) 10.347 3.095 ( -1.210 0.000 -1.291) 1.769 3.124 ( -0.148 0.000 3.915) 3.918 3.252 ( 0.693 0.000 9.434) 9.460 3.285 ( 2.053 0.000 2.480) 3.220 3.372 ( -3.532 0.000 2.768) 4.487 3.399 ( -4.677 0.000 0.116) 4.678 3.501 ( -2.237 0.000 -6.175) 6.568 3.547 ( -0.278 0.000 -4.775) 4.783 3.600 ( -0.692 0.000 7.639) 7.671 3.732 ( -4.643 0.000 -11.864) 12.740 3.774 ( 1.732 0.000 6.667) 6.888 3.835 ( 8.645 0.000 -4.358) 9.681 3.905 ( -2.339 0.000 -4.352) 4.941 3.965 ( 4.980 0.000 7.030) 8.615 4.160 ( -6.382 0.000 0.794) 6.432 4.172 ( -2.292 0.000 8.005) 8.327 4.217 ( 4.000 0.000 0.719) 4.064 4.226 ( 3.207 0.000 5.495) 6.362 4.293 ( -2.110 0.000 3.475) 4.065 4.397 ( -5.070 0.000 1.803) 5.381 4.501 ( -2.521 0.000 -0.185) 2.528 4.574 ( 3.160 0.000 -5.458) 6.307 4.683 ( 12.570 0.000 0.524) 12.581 4.783 ( 0.566 0.000 -6.980) 7.003 4.905 ( 1.760 0.000 -4.705) 5.024 4.922 ( -2.303 0.000 0.598) 2.379 4.979 ( 1.585 0.000 0.399) 1.635 5.023 ( 14.511 0.000 11.248) 18.360 5.054 ( -3.469 0.000 0.940) 3.594 5.199 ( -1.752 0.000 4.971) 5.271 5.255 ( -1.824 0.000 -1.804) 2.566 5.450 ( -5.420 0.000 -2.726) 6.067 5.513 ( 0.490 0.000 -4.624) 4.650 5.522 ( -4.983 0.000 3.518) 6.100 5.704 ( 0.627 0.000 2.357) 2.439 5.709 ( 2.896 0.000 -8.172) 8.670 5.959 ( -0.919 0.000 1.185) 1.500 6.050 ( 4.171 0.000 0.213) 4.176 6.092 ( 5.753 0.000 -2.935) 6.458 6.319 ( -9.217 0.000 -5.916) 10.952 6.437 ( 3.000 0.000 0.582) 3.056 6.475 ( -9.661 0.000 -4.286) 10.569 6.646 ( -0.660 0.000 -0.713) 0.972 6.783 ( -0.797 0.000 -2.210) 2.350 6.838 ( -0.244 0.000 2.020) 2.035 7.179 ( -1.371 0.000 -6.045) 6.198 7.215 ( -0.758 0.000 3.475) 3.557 7.359 ( 0.525 0.000 0.394) 0.657 7.827 ( 0.769 0.000 -2.444) 2.562 7.845 ( 0.775 0.000 -0.131) 0.786 8.019 ( -1.956 0.000 -3.979) 4.433 8.058 ( 1.387 0.000 -5.140) 5.324 8.170 ( -0.098 0.000 0.138) 0.169 8.327 ( -1.293 0.000 1.006) 1.638 8.578 ( -1.222 0.000 6.255) 6.374 8.738 ( 0.302 0.000 -0.933) 0.981 9.060 ( -0.478 0.000 -0.435) 0.646 9.160 ( -0.895 0.000 -1.535) 1.777 9.309 ( 0.320 0.000 -0.764) 0.828 9.338 ( 0.455 0.000 -0.147) 0.478 9.417 ( 1.848 0.000 0.357) 1.882 9.439 ( -3.916 0.000 0.103) 3.917 9.576 ( -1.605 0.000 1.832) 2.436 9.608 ( 3.203 0.000 -2.014) 3.784 9.843 ( 1.049 0.000 3.498) 3.652 9.888 ( -0.284 0.000 6.217) 6.224 10.173 ( 1.527 0.000 -2.468) 2.902 10.289 ( 0.095 0.000 -2.722) 2.723 11.859 ( -0.260 0.000 0.811) 0.851 11.997 ( 0.613 0.000 -2.516) 2.589 12.062 ( -0.555 0.000 -0.685) 0.882 12.091 ( 2.818 0.000 2.687) 3.893 12.195 ( 0.084 0.000 -0.038) 0.092 12.347 ( 1.978 0.000 0.291) 2.000 12.418 ( -0.498 0.000 -1.581) 1.658 12.457 ( 3.813 0.000 3.207) 4.983 13.217 ( 0.301 0.000 0.549) 0.626 13.232 ( 3.073 0.000 0.929) 3.211 13.299 ( -0.864 0.000 -1.051) 1.360 13.329 ( -0.298 0.000 1.355) 1.388 13.395 ( -1.879 0.000 2.560) 3.176 13.411 ( -2.236 0.000 1.067) 2.478 13.600 ( -2.353 0.000 2.761) 3.628 13.745 ( -1.426 0.000 -2.279) 2.688 13.908 ( -0.473 0.000 -0.743) 0.881 13.999 ( -1.029 0.000 -1.138) 1.534 14.087 ( 0.487 0.000 1.053) 1.160 14.166 ( -0.450 0.000 4.399) 4.422 14.243 ( -0.278 0.000 1.541) 1.565 14.277 ( 3.327 0.000 -1.091) 3.501 14.450 ( 8.759 0.000 2.907) 9.229 14.737 ( -6.596 0.000 2.272) 6.977 14.870 ( 4.430 0.000 -1.828) 4.793 15.076 ( -2.796 0.000 -0.850) 2.922 15.295 ( -17.301 0.000 -14.496) 22.571 15.338 ( -0.578 0.000 -0.505) 0.768 15.681 ( 0.925 0.000 0.439) 1.024 15.692 ( -2.082 0.000 1.560) 2.601 15.954 ( 3.087 0.000 -0.466) 3.122 16.143 ( 3.021 0.000 1.570) 3.405 22.147 ( 0.188 0.000 -0.822) 0.843 22.164 ( 0.408 0.000 -1.424) 1.482 22.513 ( 3.524 0.000 1.374) 3.782 22.594 ( -0.128 0.000 2.219) 2.223 22.614 ( -0.487 0.000 -0.050) 0.490 22.727 ( 1.437 0.000 1.625) 2.170 22.728 ( 2.060 0.000 -1.287) 2.429 22.961 ( -0.885 0.000 4.962) 5.040 23.127 ( 0.764 0.000 5.628) 5.680 23.219 ( 0.894 0.000 -2.649) 2.796 23.243 ( -1.942 0.000 0.360) 1.975 23.324 ( 3.650 0.000 0.819) 3.741 23.325 ( 2.576 0.000 -0.538) 2.631 23.698 ( 9.165 0.000 2.428) 9.481 23.703 ( -0.423 0.000 0.702) 0.820 23.835 ( 0.557 0.000 -2.383) 2.447 23.873 ( 4.638 0.000 -2.337) 5.194 23.986 ( 0.133 0.000 -2.723) 2.726 24.032 ( -1.906 0.000 -0.939) 2.125 24.047 ( 0.456 0.000 -0.024) 0.457 24.119 ( -4.370 0.000 -1.795) 4.725 24.177 ( -1.630 0.000 0.260) 1.651 24.223 ( 0.624 0.000 2.310) 2.393 24.309 ( 2.007 0.000 0.086) 2.009 24.352 ( 3.491 0.000 3.841) 5.190 24.372 ( -4.910 0.000 -4.623) 6.744 24.779 ( 12.897 0.000 7.558) 14.948 24.853 ( 1.371 0.000 0.918) 1.650 25.072 ( -0.625 0.000 0.986) 1.168 25.269 ( -4.216 0.000 2.175) 4.744 25.281 ( -9.228 0.000 -0.291) 9.233 25.392 ( -11.514 0.000 -16.027) 19.735 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -2.023 18.627 9.794) 21.141 0.739 ( 2.382 17.626 14.880) 23.190 1.241 ( 2.967 19.894 14.335) 24.699 1.374 ( 2.806 4.155 -5.409) 7.376 1.453 ( -4.083 6.538 9.484) 12.221 1.749 ( -3.669 3.572 11.566) 12.649 1.798 ( 4.136 -3.623 7.249) 9.098 1.902 ( -1.172 0.710 -2.452) 2.809 2.002 ( 1.713 4.302 1.992) 5.041 2.065 ( 4.529 -3.704 -5.718) 8.181 2.129 ( 1.601 -2.532 -7.455) 8.034 2.226 ( 4.246 -1.169 -2.177) 4.913 2.255 ( -2.841 -7.449 2.174) 8.263 2.328 ( 2.108 0.080 0.200) 2.119 2.378 ( 3.821 -4.903 -3.748) 7.259 2.495 ( -3.246 -0.896 2.312) 4.085 2.565 ( 1.062 -0.867 -1.605) 2.111 2.611 ( -5.029 0.114 -1.756) 5.328 2.679 ( -1.072 -2.644 0.949) 3.007 2.701 ( -0.652 0.627 1.477) 1.732 2.786 ( -0.827 -1.534 -2.617) 3.144 2.807 ( -5.565 1.450 3.142) 6.553 2.891 ( -3.745 4.610 -3.436) 6.862 3.044 ( -4.550 0.220 4.020) 6.076 3.092 ( 1.836 0.101 -2.460) 3.071 3.129 ( -1.710 -5.413 9.077) 10.705 3.161 ( 4.553 -2.708 1.901) 5.628 3.274 ( -1.101 -2.617 -3.146) 4.237 3.320 ( 1.724 0.031 7.426) 7.623 3.399 ( -2.234 -1.521 -0.514) 2.751 3.471 ( 1.167 6.170 -0.521) 6.301 3.589 ( 0.332 7.882 -6.026) 9.927 3.616 ( 2.245 -3.044 4.731) 6.057 3.717 ( 1.901 -6.944 2.923) 7.770 3.827 ( -3.172 7.764 -7.192) 11.048 3.986 ( 3.546 2.086 -2.902) 5.035 4.025 ( -0.644 -0.798 2.866) 3.044 4.040 ( 1.334 7.020 -5.219) 8.849 4.141 ( -0.498 2.470 4.889) 5.500 4.149 ( -1.985 3.151 4.552) 5.882 4.193 ( -0.085 0.464 3.915) 3.943 4.270 ( 1.245 0.561 3.072) 3.362 4.316 ( -2.796 3.302 1.955) 4.748 4.368 ( 1.601 1.385 3.181) 3.821 4.461 ( -0.838 -1.069 -3.440) 3.698 4.606 ( 2.216 0.014 -8.030) 8.330 4.717 ( 2.905 -9.373 -2.833) 10.214 4.832 ( -3.627 -3.716 -1.446) 5.390 4.879 ( 0.349 -2.727 -0.232) 2.759 4.901 ( -1.178 -3.451 1.308) 3.874 4.963 ( 0.299 0.227 -2.626) 2.653 5.004 ( -1.725 1.051 0.319) 2.045 5.141 ( 4.784 -1.714 -0.041) 5.082 5.151 ( -7.070 -6.617 -4.357) 10.618 5.262 ( 3.453 1.954 -0.234) 3.975 5.372 ( 3.322 1.643 -2.684) 4.576 5.511 ( 1.495 0.140 -1.541) 2.152 5.534 ( -0.043 -1.226 1.369) 1.838 5.579 ( -5.488 -1.694 5.566) 7.998 5.768 ( 1.775 -2.188 -2.997) 4.113 5.933 ( -5.071 0.866 -2.807) 5.860 6.067 ( -0.041 -1.973 1.397) 2.418 6.073 ( 3.029 -0.006 4.616) 5.521 6.212 ( 4.062 -0.970 -3.675) 5.562 6.444 ( 4.108 2.277 1.442) 4.913 6.527 ( -0.499 5.351 -0.369) 5.386 6.651 ( 0.262 -0.924 0.774) 1.233 6.787 ( -0.679 1.207 -2.621) 2.964 6.977 ( 3.117 5.896 -6.151) 9.072 7.132 ( -1.434 -1.535 -1.800) 2.766 7.177 ( -0.797 -1.354 -0.815) 1.770 7.279 ( -1.855 -4.709 1.627) 5.316 7.843 ( 0.673 0.227 -0.635) 0.953 7.878 ( 0.585 1.951 -1.368) 2.453 7.967 ( 0.123 -2.160 -3.324) 3.966 8.080 ( 1.129 -1.170 -3.939) 4.262 8.209 ( -1.180 1.193 -0.246) 1.696 8.220 ( -2.201 0.711 1.288) 2.648 8.481 ( -1.646 -5.133 5.697) 7.844 8.671 ( 0.440 -5.842 -1.078) 5.956 9.089 ( 1.259 1.786 0.446) 2.230 9.199 ( 0.520 1.931 -4.964) 5.351 9.299 ( -0.930 -0.511 -0.694) 1.268 9.343 ( -1.597 -0.490 -1.482) 2.233 9.389 ( -0.257 1.521 1.642) 2.253 9.471 ( 1.173 2.403 -1.489) 3.061 9.541 ( -1.759 -0.136 2.749) 3.266 9.704 ( 3.437 0.470 -1.773) 3.896 9.870 ( -0.492 0.676 3.792) 3.883 9.885 ( 0.764 0.115 6.567) 6.612 10.153 ( -1.467 -0.573 -2.840) 3.247 10.235 ( -1.075 -1.793 -0.791) 2.235 11.927 ( -0.068 3.877 -3.064) 4.942 12.013 ( 0.116 0.562 -2.597) 2.660 12.083 ( 1.500 1.692 -0.138) 2.266 12.142 ( -1.686 -1.174 -1.654) 2.638 12.189 ( 2.801 1.629 1.546) 3.590 12.324 ( -2.089 -2.556 0.540) 3.345 12.379 ( -3.700 0.714 1.193) 3.953 12.462 ( -1.055 0.392 -2.437) 2.684 13.210 ( -2.318 -1.168 1.868) 3.198 13.227 ( 0.554 0.653 0.158) 0.870 13.266 ( -2.142 -1.432 1.725) 3.101 13.347 ( 0.750 -1.428 1.298) 2.071 13.383 ( 3.711 -3.363 0.150) 5.010 13.402 ( 3.750 -4.316 1.727) 5.973 13.620 ( 0.617 3.877 2.042) 4.425 13.753 ( 1.036 1.142 -1.160) 1.930 13.940 ( 1.335 1.819 -0.338) 2.282 13.990 ( -0.588 0.173 -1.750) 1.855 14.071 ( 0.381 -1.369 1.965) 2.425 14.133 ( -3.528 -1.007 0.367) 3.687 14.243 ( -1.267 0.762 1.956) 2.452 14.322 ( 1.860 -6.688 10.759) 12.804 14.343 ( 2.063 0.287 -0.694) 2.195 14.559 ( -6.484 -3.812 1.177) 7.613 14.968 ( 0.028 0.948 0.631) 1.139 15.077 ( 4.602 -1.574 2.695) 5.560 15.142 ( -0.794 9.619 -1.861) 9.829 15.589 ( 2.705 7.397 -13.814) 15.901 15.682 ( 0.539 1.131 1.220) 1.748 15.709 ( 0.997 0.475 0.987) 1.481 15.982 ( 0.287 -0.457 0.205) 0.577 16.131 ( -1.526 -2.427 -0.987) 3.032 22.203 ( -0.299 3.857 -1.324) 4.089 22.279 ( 1.181 6.633 -5.416) 8.644 22.524 ( 0.325 -2.106 1.992) 2.917 22.582 ( -0.779 -1.215 1.844) 2.342 22.665 ( 1.021 3.024 -3.226) 4.539 22.730 ( 4.739 -2.483 1.168) 5.476 22.792 ( 0.363 0.327 1.048) 1.157 22.978 ( -1.169 -0.350 4.269) 4.440 23.006 ( -13.085 2.570 -2.155) 13.508 23.214 ( -1.583 -4.051 4.063) 5.952 23.245 ( 0.874 1.069 -2.002) 2.432 23.346 ( 1.415 -1.047 0.348) 1.794 23.404 ( 1.652 3.597 2.526) 4.696 23.600 ( -3.510 -0.885 0.883) 3.726 23.746 ( -3.428 -2.069 0.207) 4.009 23.787 ( -0.397 -0.520 -1.230) 1.393 23.884 ( -0.855 1.252 -2.288) 2.745 23.979 ( 1.052 -1.987 1.733) 2.839 24.014 ( 0.606 2.669 -3.887) 4.753 24.040 ( -0.917 -0.136 0.676) 1.147 24.077 ( -0.081 0.644 0.491) 0.814 24.146 ( -0.064 -0.558 -1.000) 1.147 24.203 ( 0.283 -1.668 1.293) 2.130 24.278 ( 1.609 -1.390 0.848) 2.289 24.294 ( 1.785 -0.544 1.266) 2.255 24.470 ( -1.447 -4.725 -2.443) 5.513 24.903 ( 0.517 1.137 1.618) 2.044 24.968 ( -2.276 -1.792 1.397) 3.216 25.111 ( -1.840 0.116 -2.060) 2.765 25.126 ( -5.247 0.118 -2.071) 5.643 25.214 ( -0.804 1.702 -0.352) 1.915 25.282 ( 14.205 0.458 -1.336) 14.275 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 13.415 18.404 5.791) 23.499 0.893 ( 11.213 16.595 10.936) 22.819 1.463 ( 11.471 14.542 14.448) 23.491 1.485 ( 7.992 0.968 -0.560) 8.070 1.538 ( 11.321 7.483 5.194) 14.531 1.742 ( 3.945 3.965 10.157) 11.595 1.858 ( 1.219 -3.968 -0.669) 4.205 1.923 ( 2.588 -0.937 1.214) 3.008 1.966 ( -4.396 3.191 -0.227) 5.437 2.089 ( 0.886 -0.560 -6.438) 6.523 2.180 ( 0.713 -5.643 4.534) 7.273 2.218 ( -1.363 -3.768 3.852) 5.558 2.281 ( -2.739 -2.907 -2.503) 4.714 2.343 ( 1.894 -3.597 -1.369) 4.289 2.439 ( -2.014 -1.581 2.525) 3.596 2.461 ( 4.426 1.965 -6.942) 8.464 2.510 ( -6.120 1.176 -2.305) 6.644 2.547 ( -1.775 0.253 -5.034) 5.343 2.560 ( -4.777 -2.442 0.598) 5.398 2.674 ( -0.421 2.678 3.937) 4.779 2.730 ( -3.152 -0.213 -5.864) 6.661 2.792 ( -4.174 0.589 -4.627) 6.260 2.843 ( 2.078 2.561 -1.053) 3.462 2.976 ( 1.083 -1.722 1.472) 2.511 3.013 ( -6.009 -5.006 6.884) 10.419 3.124 ( -1.473 -2.550 3.730) 4.752 3.189 ( -3.966 -2.044 0.497) 4.489 3.245 ( -1.578 2.469 -1.734) 3.405 3.368 ( 2.304 0.508 4.229) 4.842 3.416 ( 3.589 2.047 5.307) 6.726 3.507 ( -2.620 -1.151 5.572) 6.264 3.553 ( 5.805 3.187 -4.219) 7.852 3.723 ( -2.310 4.248 -2.083) 5.265 3.751 ( 2.814 -0.055 0.763) 2.916 3.804 ( 3.260 0.129 -3.307) 4.645 3.946 ( -3.261 8.916 -5.544) 10.994 3.989 ( -1.903 -6.838 2.813) 7.635 4.052 ( -1.747 -2.299 5.890) 6.559 4.149 ( 2.140 0.263 2.369) 3.203 4.170 ( 2.754 2.071 -2.029) 3.999 4.207 ( -0.177 1.074 3.914) 4.063 4.272 ( -1.467 -0.913 6.491) 6.717 4.319 ( 2.072 5.004 0.527) 5.441 4.378 ( -1.063 0.843 0.345) 1.400 4.463 ( 1.595 1.446 -2.277) 3.134 4.589 ( -7.672 2.541 -5.631) 9.850 4.650 ( -8.792 -8.194 7.189) 14.004 4.750 ( -3.237 -0.279 -4.051) 5.192 4.805 ( -2.716 -3.021 -2.790) 4.928 4.901 ( -1.787 -2.587 2.244) 3.863 4.905 ( -1.601 -5.595 1.579) 6.030 4.942 ( -1.061 1.425 -2.488) 3.057 5.039 ( -1.409 -0.039 -0.358) 1.454 5.187 ( 1.357 -3.046 -4.721) 5.780 5.358 ( -3.693 0.297 3.605) 5.170 5.396 ( 3.322 5.271 -3.309) 7.055 5.541 ( 1.173 -0.522 -0.308) 1.320 5.546 ( 6.652 2.391 -0.095) 7.069 5.622 ( 4.174 -2.489 -1.563) 5.105 5.765 ( -0.477 -0.566 -2.109) 2.235 5.882 ( -1.458 -0.659 -1.224) 2.015 6.068 ( -0.431 -2.184 1.701) 2.802 6.187 ( 7.066 -0.834 -0.283) 7.121 6.237 ( -1.522 0.035 -2.405) 2.846 6.488 ( -3.033 4.247 -0.267) 5.226 6.621 ( 8.849 -4.543 0.270) 9.951 6.664 ( -0.423 -1.690 -1.523) 2.313 6.750 ( -0.685 0.787 -1.446) 1.784 7.009 ( -0.838 3.226 -8.058) 8.720 7.106 ( -0.128 -1.603 1.146) 1.975 7.171 ( 0.348 -0.243 -0.389) 0.576 7.268 ( 0.915 -2.927 -0.187) 3.072 7.835 ( -1.010 1.515 -0.897) 2.029 7.906 ( 1.627 1.390 -1.232) 2.470 7.990 ( 2.304 -1.793 -4.437) 5.311 8.092 ( 0.231 -1.647 -2.844) 3.294 8.186 ( 0.972 0.627 1.635) 2.003 8.225 ( 0.574 2.813 -1.094) 3.073 8.457 ( -0.902 -4.513 5.467) 7.146 8.679 ( 0.375 -6.306 -0.506) 6.338 9.103 ( 0.109 0.974 1.467) 1.764 9.214 ( 1.358 1.271 -5.104) 5.432 9.266 ( -1.672 -0.622 0.505) 1.854 9.327 ( -0.386 1.371 0.015) 1.424 9.378 ( -1.772 -0.226 0.014) 1.786 9.463 ( -0.288 6.101 0.859) 6.168 9.550 ( 1.497 -3.710 -0.562) 4.040 9.736 ( -0.102 -1.211 -0.239) 1.238 9.856 ( -1.009 1.462 5.021) 5.326 9.900 ( 0.132 0.191 5.948) 5.952 10.129 ( -0.356 0.727 -3.773) 3.859 10.219 ( -0.448 -1.114 -0.644) 1.362 11.920 ( -0.408 4.015 -2.358) 4.674 12.012 ( -0.087 0.597 -2.546) 2.617 12.082 ( -1.548 0.021 -0.615) 1.666 12.132 ( 1.137 1.085 0.161) 1.580 12.225 ( -0.338 0.151 3.071) 3.093 12.237 ( -3.736 -0.247 3.120) 4.874 12.316 ( -2.770 2.185 -1.707) 3.919 12.452 ( -0.059 -0.127 -0.520) 0.538 13.187 ( -0.277 -1.868 1.722) 2.555 13.210 ( -1.574 -0.215 0.383) 1.635 13.263 ( 1.276 -1.411 0.543) 1.978 13.334 ( -0.047 -0.007 -0.491) 0.493 13.438 ( 2.327 -2.526 2.110) 4.031 13.498 ( 2.647 -4.762 1.916) 5.775 13.651 ( 1.333 2.753 0.467) 3.095 13.772 ( 1.471 0.752 -1.023) 1.943 13.972 ( 1.137 1.315 -0.260) 1.757 13.989 ( 1.020 1.197 -1.671) 2.295 14.082 ( 0.468 -1.771 1.869) 2.617 14.099 ( -0.597 -0.360 1.031) 1.245 14.220 ( -0.276 1.268 0.696) 1.472 14.305 ( -3.026 -1.205 3.520) 4.796 14.375 ( 0.106 0.628 5.812) 5.847 14.534 ( 4.002 -2.073 -3.943) 5.989 14.972 ( 0.200 0.659 0.174) 0.711 15.098 ( -1.878 3.440 -0.783) 3.997 15.217 ( 5.605 0.029 0.189) 5.608 15.629 ( 1.331 2.249 -5.124) 5.752 15.704 ( 0.966 0.469 0.680) 1.271 15.761 ( 4.630 -1.224 -3.043) 5.674 15.951 ( -3.076 -1.478 0.245) 3.421 16.061 ( -4.850 -0.785 -0.951) 5.004 22.192 ( -0.688 3.628 -1.362) 3.936 22.264 ( -2.109 6.477 -4.785) 8.324 22.501 ( -2.642 -1.218 3.927) 4.887 22.577 ( 0.532 -1.820 1.277) 2.286 22.656 ( -8.049 4.099 3.003) 9.519 22.704 ( -1.018 2.786 -2.814) 4.089 22.793 ( 1.118 -2.894 4.392) 5.378 22.867 ( 2.233 -1.091 -1.102) 2.718 22.981 ( 0.224 1.954 3.854) 4.326 23.155 ( -3.394 -3.664 3.088) 5.872 23.257 ( 0.246 1.017 -1.150) 1.555 23.356 ( -0.776 -0.877 0.677) 1.353 23.427 ( -1.253 6.652 1.099) 6.857 23.563 ( 1.343 1.589 0.007) 2.081 23.659 ( -3.947 2.266 -1.914) 4.937 23.760 ( -1.239 1.195 -1.712) 2.428 23.890 ( 0.733 -2.002 -3.188) 3.835 23.939 ( -4.542 -1.146 -0.198) 4.689 24.019 ( -0.049 1.154 -0.047) 1.156 24.065 ( 2.493 0.874 0.148) 2.646 24.096 ( 2.155 0.179 1.349) 2.549 24.172 ( 1.886 0.157 -0.951) 2.118 24.207 ( -0.170 -0.044 1.202) 1.215 24.292 ( 0.630 -0.326 -0.852) 1.109 24.384 ( 5.456 -4.659 1.096) 7.258 24.400 ( -4.788 -4.712 -3.105) 7.401 24.792 ( -7.686 0.757 5.083) 9.246 24.904 ( -3.517 -0.853 1.769) 4.028 25.051 ( -0.643 1.538 -0.147) 1.673 25.176 ( 4.783 -1.735 -1.055) 5.196 25.259 ( 5.095 3.248 -2.337) 6.478 25.558 ( 9.225 -6.297 -5.373) 12.394 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 15.253 11.008 8.889) 20.805 1.146 ( 12.651 12.353 6.371) 18.795 1.499 ( -7.389 7.113 7.014) 12.425 1.604 ( 3.729 1.258 1.558) 4.232 1.731 ( 5.967 1.983 -0.069) 6.289 1.815 ( -2.201 1.020 -0.462) 2.469 1.845 ( -3.048 -2.609 -3.737) 5.483 1.993 ( 2.345 -0.888 3.304) 4.148 2.046 ( -5.531 -2.131 -4.357) 7.356 2.060 ( 11.696 2.596 7.149) 13.951 2.120 ( -2.100 -2.781 0.571) 3.532 2.180 ( 0.767 -3.299 -4.932) 5.983 2.279 ( -3.679 -1.454 2.057) 4.459 2.349 ( 4.755 0.152 3.394) 5.844 2.394 ( 0.178 3.023 0.582) 3.083 2.424 ( 0.145 -1.443 1.076) 1.806 2.482 ( -0.762 4.570 -1.876) 4.998 2.568 ( 2.301 4.470 -4.941) 7.049 2.610 ( 4.334 -1.924 -7.328) 8.729 2.622 ( -4.222 0.881 -8.146) 9.217 2.713 ( -0.437 1.518 -5.295) 5.525 2.770 ( 2.938 -0.055 -0.550) 2.989 2.820 ( 0.715 1.721 2.078) 2.791 2.950 ( -1.248 -4.964 8.556) 9.970 3.049 ( -0.021 -1.391 2.289) 2.678 3.113 ( -0.547 -0.965 -0.501) 1.217 3.128 ( 4.017 1.753 2.166) 4.889 3.205 ( -1.019 -2.165 -1.002) 2.594 3.371 ( -2.474 5.022 1.873) 5.904 3.478 ( 2.132 2.281 2.312) 3.885 3.492 ( -0.800 -3.329 10.670) 11.206 3.597 ( -7.593 3.281 3.068) 8.822 3.673 ( 5.104 0.416 -0.641) 5.161 3.788 ( 0.555 -0.134 0.668) 0.879 3.854 ( 1.499 3.526 -3.963) 5.512 3.888 ( -9.909 3.327 5.490) 11.806 3.932 ( -2.129 0.611 2.429) 3.287 4.027 ( 1.152 -5.470 1.297) 5.738 4.144 ( -5.589 -4.711 5.081) 8.902 4.157 ( -5.718 -1.622 4.921) 7.716 4.204 ( 0.854 2.959 -2.468) 3.946 4.246 ( 3.389 -0.787 1.813) 3.924 4.360 ( -1.649 -0.704 1.960) 2.657 4.375 ( 2.586 3.112 -1.460) 4.302 4.429 ( -1.484 6.641 -0.117) 6.806 4.518 ( -0.964 -3.911 2.208) 4.593 4.527 ( 1.468 3.316 -2.459) 4.381 4.691 ( -3.034 -1.136 -2.282) 3.963 4.793 ( -0.731 -3.470 -4.054) 5.386 4.864 ( -2.198 -4.936 2.617) 6.004 4.897 ( 1.571 -4.723 0.061) 4.977 4.953 ( -0.048 -1.887 -1.980) 2.735 5.027 ( 0.005 0.748 1.664) 1.824 5.186 ( -1.024 -2.866 -3.202) 4.418 5.355 ( 3.881 -0.767 -3.010) 4.971 5.435 ( 1.739 4.569 -1.034) 4.997 5.556 ( 0.376 0.233 -2.469) 2.509 5.635 ( 2.645 1.148 0.891) 3.018 5.690 ( 1.183 0.346 -0.364) 1.285 5.761 ( -0.808 2.500 -1.850) 3.213 5.897 ( 4.710 -1.533 -2.470) 5.535 6.022 ( -4.887 1.471 3.091) 5.967 6.167 ( -4.750 -0.829 1.432) 5.030 6.320 ( 5.434 -2.806 -4.002) 7.309 6.427 ( -2.685 3.456 -0.650) 4.425 6.610 ( -2.447 -1.037 -3.483) 4.381 6.698 ( 1.182 -0.073 -0.506) 1.288 6.807 ( 3.329 -3.511 -1.435) 5.046 6.946 ( -4.066 0.992 -2.489) 4.870 7.124 ( 1.370 -2.528 0.071) 2.876 7.185 ( 0.936 0.928 -1.608) 2.079 7.295 ( 1.466 -2.104 -2.055) 3.286 7.822 ( -0.057 2.488 -0.641) 2.570 7.916 ( -0.449 1.948 -1.448) 2.468 8.035 ( 2.050 -1.943 -4.652) 5.443 8.085 ( -0.559 -1.194 -2.799) 3.094 8.227 ( 1.438 1.848 0.287) 2.359 8.235 ( 1.532 1.367 1.157) 2.357 8.461 ( 0.838 -4.546 4.925) 6.755 8.682 ( -0.076 -6.526 -0.451) 6.542 9.102 ( -0.338 -0.271 2.468) 2.506 9.233 ( 0.578 -0.777 -3.371) 3.507 9.248 ( -0.421 0.349 1.024) 1.161 9.306 ( -1.609 1.735 1.877) 3.020 9.360 ( 0.963 0.861 -2.579) 2.884 9.473 ( 0.715 3.783 -0.118) 3.852 9.571 ( 0.682 -3.019 -0.009) 3.095 9.706 ( -2.802 -2.310 1.632) 3.981 9.846 ( -0.394 1.710 4.581) 4.905 9.898 ( -0.594 0.138 5.309) 5.344 10.124 ( -0.021 0.919 -4.020) 4.124 10.221 ( 0.640 -1.153 -1.191) 1.777 11.913 ( -0.070 4.194 -1.031) 4.319 12.007 ( -0.195 0.919 -2.445) 2.619 12.062 ( -0.510 -0.050 -0.755) 0.913 12.141 ( -0.903 -1.088 1.099) 1.791 12.175 ( -1.134 0.374 3.166) 3.383 12.244 ( 0.582 -1.022 3.084) 3.301 12.268 ( -1.358 3.326 -1.585) 3.927 12.450 ( -0.256 -0.685 -0.257) 0.775 13.187 ( -0.467 -1.131 -0.028) 1.224 13.189 ( -0.102 -3.224 0.580) 3.278 13.289 ( 1.149 -0.663 -0.041) 1.328 13.343 ( 0.753 0.544 -1.289) 1.589 13.467 ( 0.341 -1.946 3.933) 4.402 13.522 ( -0.202 -3.637 3.541) 5.080 13.662 ( 0.569 4.471 -0.232) 4.513 13.810 ( 1.763 0.041 -2.166) 2.793 13.986 ( 0.707 1.507 -0.702) 1.807 14.009 ( 0.661 1.614 -0.972) 1.997 14.078 ( -0.905 -1.756 2.530) 3.210 14.108 ( 1.380 -1.359 0.752) 2.078 14.202 ( -1.873 0.080 1.691) 2.525 14.284 ( 1.127 2.966 -1.546) 3.529 14.381 ( 0.136 3.127 4.301) 5.319 14.630 ( 5.208 -2.284 -4.707) 7.382 14.964 ( -2.146 1.553 1.284) 2.944 15.057 ( -0.285 2.235 -4.972) 5.459 15.312 ( 4.183 1.992 2.698) 5.361 15.619 ( -1.777 0.687 0.402) 1.947 15.733 ( 1.276 -1.330 -0.718) 1.978 15.811 ( -0.528 -4.968 0.273) 5.003 15.918 ( 1.562 -0.929 -2.733) 3.282 15.957 ( -5.709 -0.282 -0.446) 5.733 22.177 ( -0.710 3.220 -1.143) 3.490 22.221 ( -1.357 5.039 -2.686) 5.869 22.452 ( -2.209 -0.648 4.770) 5.296 22.543 ( -3.044 1.233 1.127) 3.472 22.600 ( 1.476 -1.542 1.252) 2.475 22.718 ( 0.848 3.063 -3.249) 4.545 22.785 ( -1.953 -2.615 4.513) 5.570 22.928 ( 3.268 -1.364 -0.612) 3.594 22.995 ( 1.016 1.837 4.303) 4.788 23.115 ( -0.711 -2.543 2.806) 3.853 23.251 ( -0.746 0.838 -0.724) 1.335 23.315 ( -2.568 2.456 -0.425) 3.579 23.399 ( -0.971 4.346 2.211) 4.972 23.597 ( 0.975 0.359 -1.282) 1.651 23.610 ( -1.166 1.350 -1.630) 2.416 23.743 ( -0.615 1.113 -1.881) 2.270 23.830 ( -3.935 -1.478 -1.504) 4.464 23.927 ( 1.768 -1.121 -4.045) 4.555 24.025 ( 0.598 1.288 -0.243) 1.441 24.102 ( 1.111 0.852 -0.020) 1.400 24.136 ( 1.269 0.107 1.169) 1.728 24.197 ( -0.179 -0.209 0.117) 0.299 24.209 ( 1.532 1.019 -0.355) 1.874 24.293 ( -0.193 -0.013 0.162) 0.253 24.311 ( -3.035 -1.446 -2.227) 4.033 24.493 ( 4.735 -4.212 -1.655) 6.549 24.672 ( -5.205 -0.493 6.917) 8.671 24.826 ( -4.016 -3.346 0.034) 5.228 25.067 ( 1.531 1.685 1.843) 2.929 25.262 ( 3.721 -2.651 0.996) 4.676 25.373 ( 5.958 2.727 -5.097) 8.302 25.634 ( 0.083 -4.344 -3.739) 5.732 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -10.677 7.153 6.090) 14.222 1.330 ( 4.814 2.112 12.454) 13.518 1.436 ( 3.048 6.074 -1.195) 6.900 1.607 ( -3.439 6.338 3.386) 7.966 1.709 ( 1.875 2.682 -1.808) 3.739 1.728 ( -3.766 1.684 2.988) 5.094 1.915 ( -3.792 -1.509 3.552) 5.411 1.934 ( 0.936 -2.853 -8.965) 9.455 2.009 ( -1.323 -3.036 -3.775) 5.022 2.028 ( 1.169 -3.036 -1.716) 3.678 2.172 ( 0.510 -3.752 -5.659) 6.809 2.229 ( 1.278 -1.130 1.356) 2.180 2.248 ( -0.084 -0.861 -3.864) 3.960 2.363 ( -4.439 5.866 -1.165) 7.448 2.435 ( 0.201 -0.415 0.504) 0.683 2.455 ( 0.042 2.700 1.202) 2.955 2.507 ( 1.402 -0.752 1.252) 2.025 2.577 ( 5.508 2.125 -1.240) 6.032 2.644 ( 2.482 2.581 -3.719) 5.163 2.682 ( 0.455 -0.473 -1.675) 1.800 2.687 ( -0.389 1.731 -4.604) 4.934 2.786 ( -0.713 -0.011 -1.686) 1.831 2.903 ( 8.427 0.955 0.544) 8.499 2.981 ( -5.551 -2.702 2.183) 6.548 3.001 ( -2.788 -1.206 4.021) 5.039 3.103 ( 5.897 6.584 4.197) 9.784 3.205 ( -5.363 -1.900 1.466) 5.876 3.302 ( 13.328 0.440 0.072) 13.336 3.341 ( -0.450 2.934 -0.271) 2.980 3.387 ( -7.390 1.400 6.544) 9.970 3.457 ( -3.349 4.447 1.175) 5.690 3.535 ( 3.269 -0.605 7.852) 8.527 3.656 ( -5.968 -0.071 10.364) 11.960 3.770 ( 0.904 1.159 0.122) 1.475 3.790 ( -2.992 5.392 -5.007) 7.943 3.866 ( 2.017 -2.600 5.085) 6.057 3.934 ( -1.051 3.685 1.554) 4.135 3.999 ( -3.310 -1.896 1.387) 4.059 4.024 ( -2.879 -4.095 3.585) 6.157 4.124 ( -0.203 -0.550 2.223) 2.299 4.213 ( 0.108 2.482 3.689) 4.447 4.304 ( 2.493 -3.309 -1.160) 4.302 4.363 ( 1.280 -2.523 3.564) 4.550 4.403 ( 0.481 1.490 0.274) 1.590 4.459 ( 2.338 7.352 -3.206) 8.354 4.544 ( 5.297 -3.820 -0.494) 6.549 4.584 ( 2.643 0.848 -3.491) 4.460 4.644 ( -1.644 -0.797 1.831) 2.587 4.764 ( -1.987 -1.274 -2.409) 3.373 4.830 ( -1.625 -7.202 1.480) 7.530 4.918 ( -1.251 -2.912 -2.850) 4.262 4.940 ( 0.774 -5.387 1.390) 5.617 5.034 ( 0.864 0.702 1.457) 1.834 5.198 ( 2.698 -1.189 -4.403) 5.299 5.405 ( -0.258 1.777 -1.523) 2.354 5.491 ( 2.887 -1.815 -2.485) 4.220 5.544 ( -1.032 0.210 -3.180) 3.349 5.633 ( -2.805 -0.908 -2.156) 3.652 5.698 ( 0.791 2.241 2.280) 3.293 5.770 ( 2.550 2.623 -5.058) 6.243 5.888 ( -7.802 4.696 1.803) 9.283 5.994 ( 3.101 0.438 0.108) 3.134 6.085 ( -3.240 -0.979 5.259) 6.254 6.362 ( 0.060 -4.378 -5.901) 7.348 6.400 ( 0.267 3.635 -1.344) 3.884 6.605 ( 1.126 -2.583 -3.001) 4.116 6.709 ( 0.194 1.577 -2.207) 2.720 6.816 ( -2.630 -3.797 -4.384) 6.368 6.891 ( -0.368 2.648 2.519) 3.673 7.151 ( 1.250 -3.097 -0.004) 3.340 7.200 ( 0.635 0.833 -1.951) 2.215 7.313 ( 0.487 -1.882 -2.389) 3.080 7.829 ( 0.660 2.652 0.002) 2.733 7.892 ( -1.700 2.111 -2.015) 3.377 8.048 ( -0.350 -2.157 -2.525) 3.339 8.073 ( -0.538 -0.313 -4.847) 4.887 8.230 ( -0.232 3.144 0.318) 3.168 8.284 ( 2.132 -0.074 2.201) 3.065 8.488 ( 1.269 -4.969 4.882) 7.081 8.676 ( -0.378 -6.251 -0.847) 6.319 9.090 ( -1.063 -1.044 2.286) 2.729 9.220 ( -1.171 0.414 -0.886) 1.526 9.254 ( 0.704 -2.286 -0.252) 2.405 9.301 ( 1.068 1.944 2.616) 3.430 9.397 ( 2.543 1.631 -4.005) 5.017 9.480 ( 0.103 2.576 -1.077) 2.794 9.580 ( 0.265 -1.916 1.153) 2.252 9.642 ( -3.574 -1.956 2.511) 4.786 9.841 ( -0.371 1.241 3.633) 3.857 9.889 ( -0.656 -0.093 4.901) 4.945 10.126 ( 0.559 0.944 -3.221) 3.402 10.236 ( 0.902 -1.582 -1.518) 2.371 11.915 ( 0.277 4.310 -0.484) 4.346 12.003 ( 0.014 1.425 -2.349) 2.748 12.055 ( -0.243 -0.048 -0.400) 0.471 12.120 ( -1.039 -1.364 -0.200) 1.727 12.160 ( -0.642 0.174 2.084) 2.188 12.251 ( 0.899 -0.017 1.561) 1.801 12.289 ( 2.608 0.863 2.682) 3.839 12.442 ( -0.492 -0.716 -0.650) 1.085 13.183 ( 0.178 -1.756 -0.147) 1.771 13.189 ( -0.147 -3.074 -0.144) 3.081 13.304 ( 0.339 -0.332 -0.245) 0.534 13.352 ( 0.202 0.795 -1.602) 1.800 13.457 ( -1.543 -1.714 4.293) 4.873 13.503 ( -1.736 -1.914 3.918) 4.693 13.674 ( 0.294 3.394 -0.617) 3.462 13.818 ( -0.824 0.047 -2.743) 2.865 13.992 ( -0.321 3.477 -0.260) 3.501 14.022 ( 0.571 -0.969 -0.721) 1.336 14.062 ( -0.484 -1.272 1.605) 2.105 14.135 ( 0.926 -1.467 1.376) 2.214 14.180 ( -0.210 0.426 1.438) 1.514 14.298 ( -0.153 3.378 -0.924) 3.506 14.390 ( 0.468 4.237 1.601) 4.553 14.715 ( 3.637 -2.285 -2.805) 5.131 14.897 ( -3.481 2.505 -0.568) 4.326 15.089 ( 2.633 -0.209 -5.903) 6.467 15.369 ( 0.535 2.771 6.498) 7.084 15.583 ( -1.370 0.990 1.228) 2.090 15.714 ( -2.065 -3.941 -2.520) 5.114 15.821 ( 1.345 0.700 -2.120) 2.606 15.842 ( -5.044 -2.467 -0.110) 5.616 15.978 ( 3.558 -2.129 -0.194) 4.151 22.169 ( 0.115 2.866 -0.824) 2.984 22.210 ( 0.126 4.170 -2.411) 4.819 22.430 ( -0.279 -0.801 4.004) 4.093 22.518 ( 0.249 -0.159 0.355) 0.462 22.631 ( 1.348 -2.374 0.667) 2.811 22.704 ( -2.491 -1.148 2.642) 3.809 22.762 ( 0.226 3.572 -1.802) 4.007 22.975 ( 1.418 -0.074 0.812) 1.636 23.032 ( 2.367 0.742 5.620) 6.144 23.125 ( 1.211 -2.161 3.851) 4.579 23.232 ( -0.935 0.661 -1.199) 1.658 23.287 ( -0.078 2.691 -0.726) 2.789 23.385 ( -0.783 3.614 1.804) 4.115 23.578 ( -1.540 0.734 -1.209) 2.090 23.627 ( 2.405 -0.069 -0.065) 2.407 23.743 ( 1.328 -0.669 -3.145) 3.479 23.783 ( -1.121 0.279 -1.065) 1.571 23.963 ( 1.868 -1.492 -6.052) 6.507 24.037 ( 0.625 1.305 0.161) 1.456 24.103 ( -1.063 0.714 -0.969) 1.606 24.139 ( -0.590 0.020 1.506) 1.618 24.192 ( -0.202 -0.890 0.155) 0.926 24.229 ( -0.245 -0.138 -1.153) 1.187 24.272 ( -0.871 -0.979 -1.130) 1.730 24.326 ( 3.434 3.804 0.897) 5.203 24.531 ( -1.232 -2.440 -3.746) 4.637 24.604 ( -2.085 -1.504 7.289) 7.729 24.770 ( -1.041 -5.203 0.229) 5.311 25.096 ( 0.990 2.069 2.690) 3.535 25.313 ( 1.160 -2.802 2.457) 3.903 25.461 ( 3.214 0.726 -7.387) 8.089 25.583 ( -4.720 -2.146 -2.401) 5.714 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -14.347 10.652 7.810) 19.501 1.171 ( -15.101 6.679 10.333) 19.479 1.479 ( -5.641 4.629 -6.112) 9.518 1.593 ( 5.798 -2.720 1.634) 6.610 1.669 ( -5.198 4.844 8.408) 11.008 1.797 ( -0.342 -1.886 -1.871) 2.679 1.830 ( 0.951 -2.830 3.553) 4.641 1.977 ( 0.700 -2.358 -3.216) 4.049 1.985 ( 2.215 -4.218 -8.300) 9.570 2.051 ( -9.331 -0.517 2.352) 9.636 2.139 ( 0.430 -0.310 -2.325) 2.384 2.182 ( -8.025 5.100 4.795) 10.649 2.240 ( 0.446 5.585 -3.192) 6.449 2.294 ( 1.286 -0.208 -7.910) 8.016 2.404 ( -2.218 -1.639 0.919) 2.907 2.467 ( -3.314 4.586 4.463) 7.206 2.533 ( 2.976 -4.205 3.694) 6.340 2.566 ( -0.411 1.588 -1.080) 1.964 2.643 ( -0.451 1.063 -2.088) 2.386 2.688 ( -0.152 1.150 -0.858) 1.443 2.730 ( 4.671 3.063 -2.476) 6.110 2.801 ( 0.607 1.131 -1.289) 1.819 2.844 ( 3.291 0.540 -2.010) 3.893 2.991 ( -2.627 1.341 4.498) 5.379 3.063 ( 3.493 -2.021 -1.342) 4.252 3.164 ( -1.979 0.620 2.383) 3.159 3.234 ( -0.015 2.637 4.176) 4.939 3.256 ( 3.399 -4.740 4.486) 7.358 3.306 ( 2.855 4.363 2.034) 5.596 3.440 ( -0.358 -0.601 1.999) 2.118 3.515 ( -1.877 -2.348 6.333) 7.011 3.546 ( -3.295 -0.368 0.884) 3.431 3.695 ( 7.332 2.724 1.724) 8.009 3.728 ( 2.251 0.913 -1.864) 3.062 3.745 ( -4.009 3.044 -0.777) 5.094 3.856 ( 0.124 -1.336 4.701) 4.889 3.938 ( 1.560 5.243 -1.393) 5.645 3.983 ( -0.065 0.607 -0.384) 0.721 4.046 ( 2.639 -2.574 5.246) 6.412 4.143 ( 3.132 0.476 -1.688) 3.590 4.215 ( -0.436 2.312 4.700) 5.256 4.323 ( -1.409 0.037 1.661) 2.178 4.388 ( 0.492 -2.451 0.821) 2.632 4.407 ( 0.415 5.056 1.372) 5.255 4.498 ( 2.638 4.007 -1.423) 5.004 4.571 ( -1.168 2.381 0.179) 2.658 4.621 ( -1.053 -1.107 2.211) 2.687 4.717 ( 7.767 -4.700 -1.579) 9.215 4.743 ( -0.352 -5.127 -2.500) 5.715 4.815 ( 3.094 -1.839 -0.303) 3.612 4.901 ( -0.776 -6.371 -1.545) 6.601 4.943 ( 0.052 -2.094 1.345) 2.489 5.064 ( 0.976 -1.475 1.450) 2.287 5.232 ( -0.239 -0.073 -1.028) 1.058 5.367 ( -2.668 3.096 -0.954) 4.197 5.462 ( -3.974 -3.923 -2.246) 6.018 5.524 ( -1.162 -1.686 -2.895) 3.546 5.597 ( -1.856 -1.556 -3.160) 3.981 5.679 ( -2.424 2.054 1.319) 3.440 5.755 ( -1.267 4.495 -2.577) 5.333 5.893 ( 6.241 0.751 -5.622) 8.434 5.999 ( -1.091 -0.013 0.969) 1.460 6.057 ( -0.207 0.375 6.087) 6.102 6.343 ( -2.597 -6.103 -5.111) 8.373 6.430 ( 2.726 4.378 -0.943) 5.243 6.599 ( -2.275 -0.844 -3.518) 4.274 6.704 ( -0.257 2.821 -2.777) 3.967 6.753 ( -2.526 -2.957 -1.073) 4.034 6.910 ( 1.421 3.064 -0.075) 3.378 7.166 ( 0.077 -3.475 0.545) 3.518 7.206 ( 0.107 0.007 -2.333) 2.336 7.313 ( -0.184 -2.461 -1.437) 2.855 7.839 ( -0.005 1.805 -0.363) 1.841 7.862 ( -0.650 2.226 -1.973) 3.044 8.030 ( -1.466 -2.206 -2.690) 3.775 8.057 ( -0.347 0.264 -4.840) 4.859 8.220 ( -0.684 3.331 0.052) 3.401 8.310 ( 0.288 -0.848 2.600) 2.750 8.508 ( 0.298 -5.620 5.211) 7.670 8.669 ( -0.262 -6.152 -1.195) 6.272 9.070 ( -0.800 -0.323 1.120) 1.413 9.201 ( -0.644 0.393 -1.475) 1.656 9.274 ( 1.325 -2.020 -0.106) 2.418 9.334 ( 1.657 2.435 2.340) 3.761 9.428 ( 0.434 1.933 -3.095) 3.675 9.485 ( 0.112 1.113 -1.309) 1.722 9.572 ( -0.954 -1.342 1.401) 2.162 9.597 ( -0.411 -0.322 1.910) 1.980 9.840 ( 0.162 0.961 3.297) 3.438 9.882 ( -0.389 -0.487 5.035) 5.074 10.142 ( 1.208 0.431 -2.462) 2.776 10.250 ( 0.583 -2.173 -1.457) 2.680 11.921 ( 0.336 4.625 -0.933) 4.730 12.005 ( 0.344 1.453 -2.543) 2.949 12.054 ( 0.113 0.221 0.994) 1.025 12.100 ( -0.411 0.326 -0.839) 0.990 12.163 ( 0.556 -0.816 1.698) 1.964 12.283 ( 2.067 -1.178 1.920) 3.057 12.359 ( 4.186 -0.114 3.308) 5.337 12.432 ( -0.436 -0.360 -1.343) 1.457 13.182 ( -0.152 -2.555 0.193) 2.567 13.197 ( 1.069 -1.062 0.191) 1.519 13.301 ( -0.664 -0.386 -0.115) 0.776 13.348 ( -0.585 0.271 -2.244) 2.335 13.419 ( -2.360 -1.181 3.181) 4.133 13.464 ( -2.554 -1.244 3.652) 4.627 13.664 ( -1.318 2.782 0.507) 3.120 13.785 ( -1.984 0.157 -2.739) 3.385 13.967 ( -1.960 2.450 -0.939) 3.275 14.019 ( -0.632 -0.549 -0.398) 0.927 14.065 ( 0.161 -0.214 1.296) 1.323 14.153 ( 1.567 -0.965 3.511) 3.964 14.197 ( 1.540 -0.882 1.050) 2.063 14.278 ( -1.665 1.409 -0.932) 2.372 14.390 ( -0.723 3.607 0.965) 3.803 14.757 ( -0.245 -4.030 -0.530) 4.072 14.861 ( 0.780 3.665 -1.511) 4.040 15.122 ( 0.752 -2.174 -4.613) 5.155 15.317 ( -6.015 2.587 5.707) 8.685 15.579 ( 0.507 2.768 -2.248) 3.601 15.683 ( -1.075 -1.118 -1.708) 2.307 15.742 ( -3.373 -0.553 -2.763) 4.395 15.879 ( 3.372 -0.454 -0.792) 3.494 16.048 ( 3.618 -2.398 1.504) 4.594 22.182 ( 1.201 3.233 -0.955) 3.579 22.217 ( 0.739 4.761 -2.512) 5.433 22.447 ( 1.700 -1.073 3.070) 3.670 22.549 ( 2.906 -0.943 0.517) 3.099 22.629 ( -1.922 -2.563 2.464) 4.041 22.675 ( -0.129 -0.777 0.870) 1.174 22.770 ( 0.545 4.451 -2.363) 5.068 22.990 ( 0.102 0.943 2.788) 2.945 23.084 ( 2.526 0.551 6.167) 6.687 23.162 ( 2.183 -2.807 4.937) 6.085 23.226 ( 0.584 0.880 -1.313) 1.685 23.296 ( 0.368 -0.245 -1.050) 1.139 23.376 ( 0.157 6.186 -0.023) 6.188 23.576 ( 1.786 0.047 -1.824) 2.553 23.683 ( 2.538 -1.305 2.347) 3.695 23.780 ( 1.334 1.220 -1.112) 2.123 23.791 ( 3.308 -1.993 -3.709) 5.355 23.974 ( -0.525 -2.134 -5.950) 6.342 24.049 ( 0.444 1.255 0.035) 1.332 24.069 ( -1.718 0.558 -0.656) 1.922 24.132 ( -0.454 -0.798 2.264) 2.443 24.180 ( -0.914 -1.001 0.545) 1.461 24.216 ( -0.666 -1.076 -0.332) 1.309 24.257 ( -1.024 0.268 -0.773) 1.311 24.390 ( 1.381 2.934 -0.616) 3.301 24.474 ( -2.914 -0.679 -3.783) 4.823 24.607 ( 3.144 -1.518 7.255) 8.051 24.789 ( 2.438 -3.733 0.539) 4.491 25.105 ( -0.167 2.238 2.329) 3.234 25.306 ( -2.087 -2.569 3.024) 4.483 25.456 ( -7.295 -0.441 -1.992) 7.575 25.477 ( -2.044 -1.668 -9.680) 10.033 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -6.623 15.509 13.024) 21.308 0.879 ( -14.439 12.424 12.125) 22.580 1.358 ( -6.791 5.029 -3.531) 9.158 1.440 ( -13.411 6.277 2.929) 15.094 1.644 ( -12.385 0.980 5.125) 13.439 1.716 ( 0.920 6.345 12.030) 13.632 1.837 ( -2.757 -0.436 6.110) 6.718 1.898 ( 5.389 -0.768 -1.902) 5.766 1.962 ( -5.090 0.387 4.409) 6.745 2.005 ( 1.199 -2.063 -4.279) 4.900 2.111 ( 3.417 -0.739 -12.581) 13.058 2.166 ( -0.643 -0.982 -4.217) 4.377 2.254 ( 2.927 1.380 2.146) 3.883 2.300 ( -0.233 -1.554 0.279) 1.596 2.382 ( -1.977 -3.260 1.217) 4.002 2.485 ( 4.400 -1.283 0.491) 4.609 2.554 ( -2.038 -2.043 -0.681) 2.965 2.628 ( 2.791 0.210 -1.400) 3.129 2.644 ( 3.994 0.454 1.500) 4.290 2.722 ( 0.082 0.821 1.521) 1.731 2.796 ( -0.410 -0.488 1.768) 1.880 2.866 ( 5.337 2.676 -4.937) 7.747 2.914 ( -0.735 4.646 0.424) 4.722 2.946 ( 5.128 1.424 -0.998) 5.415 3.069 ( -0.653 -1.885 -0.052) 1.995 3.144 ( -0.748 0.920 4.054) 4.223 3.211 ( -3.353 -5.853 6.919) 9.663 3.273 ( -1.026 -1.948 3.337) 3.998 3.356 ( -2.712 -3.753 0.992) 4.735 3.430 ( -2.899 -1.303 0.484) 3.215 3.461 ( 1.469 5.293 3.911) 6.743 3.517 ( 2.261 -1.071 -4.318) 4.991 3.682 ( -1.765 6.276 -0.500) 6.538 3.706 ( -2.713 -6.472 5.641) 9.004 3.857 ( 5.447 1.829 -2.769) 6.378 3.914 ( 0.495 11.170 -5.168) 12.318 3.953 ( 4.405 0.443 3.758) 5.808 3.984 ( 2.921 3.613 -1.948) 5.038 4.146 ( 1.649 -1.170 3.127) 3.724 4.191 ( 1.778 -3.097 0.480) 3.603 4.205 ( 2.130 2.731 2.164) 4.084 4.251 ( -5.665 5.594 2.091) 8.231 4.355 ( -2.135 4.108 3.518) 5.815 4.389 ( -3.142 -0.545 2.234) 3.894 4.512 ( -2.935 0.880 -2.153) 3.745 4.590 ( -0.935 1.678 -2.535) 3.181 4.620 ( 5.574 -4.864 0.325) 7.405 4.784 ( 5.355 -1.328 -4.145) 6.901 4.838 ( 3.715 -6.676 1.059) 7.713 4.891 ( 4.527 -2.513 -3.971) 6.525 4.937 ( 0.785 -3.102 1.331) 3.465 4.973 ( 6.501 -1.567 2.165) 7.029 5.039 ( -2.769 1.605 1.756) 3.651 5.207 ( -1.534 0.951 0.984) 2.056 5.330 ( -0.399 1.845 -2.703) 3.297 5.368 ( -5.916 -4.874 -2.879) 8.189 5.501 ( -0.693 -0.917 -1.616) 1.983 5.537 ( -2.245 -1.107 0.117) 2.506 5.693 ( -0.154 -0.451 2.333) 2.381 5.725 ( -0.745 1.092 -4.249) 4.450 5.943 ( 1.384 -0.006 -0.121) 1.390 6.061 ( 1.705 -0.103 -0.388) 1.752 6.074 ( 4.585 -1.493 -0.818) 4.891 6.227 ( -8.491 -6.030 -1.832) 10.574 6.476 ( -1.268 2.651 0.267) 2.951 6.518 ( -2.153 4.946 -3.146) 6.244 6.671 ( -2.181 0.269 -0.604) 2.279 6.763 ( 2.520 0.520 -1.648) 3.056 6.935 ( 1.470 4.907 -2.705) 5.793 7.155 ( -1.015 -2.870 -0.024) 3.044 7.197 ( -0.897 -0.955 -2.381) 2.718 7.306 ( -0.701 -4.193 0.299) 4.262 7.833 ( 0.044 0.897 -1.783) 1.996 7.868 ( 0.739 1.912 -0.795) 2.198 7.990 ( -1.948 -2.094 -2.906) 4.077 8.061 ( 0.948 -0.151 -4.669) 4.767 8.210 ( -0.233 3.137 -0.721) 3.228 8.290 ( -2.764 -2.229 2.454) 4.316 8.504 ( -0.978 -5.775 5.527) 8.053 8.666 ( 0.088 -6.030 -1.262) 6.161 9.067 ( 0.544 1.181 0.396) 1.359 9.195 ( 0.175 1.292 -2.986) 3.259 9.299 ( 0.977 -0.726 -1.102) 1.642 9.353 ( 0.230 1.784 -0.013) 1.799 9.429 ( -1.231 0.326 -0.396) 1.333 9.448 ( -1.320 1.038 0.782) 1.852 9.575 ( -0.925 0.155 2.097) 2.298 9.625 ( 3.858 0.896 -1.406) 4.203 9.856 ( 1.117 0.926 3.556) 3.841 9.879 ( -0.295 -0.599 5.691) 5.730 10.162 ( 0.712 -0.574 -2.269) 2.446 10.253 ( -0.348 -2.625 -1.391) 2.991 11.926 ( 0.290 4.531 -2.274) 5.078 12.011 ( 0.344 0.911 -2.705) 2.875 12.060 ( 0.645 0.889 0.339) 1.150 12.121 ( 2.486 1.874 1.205) 3.339 12.170 ( -0.172 -1.496 0.570) 1.611 12.322 ( 1.450 -2.197 1.391) 2.977 12.416 ( -0.525 0.023 0.278) 0.594 12.448 ( 3.262 -0.960 -0.383) 3.422 13.199 ( 1.848 -1.735 2.384) 3.480 13.229 ( 2.883 -0.321 0.697) 2.984 13.269 ( -2.797 -0.608 -0.257) 2.874 13.328 ( -1.465 -0.979 0.316) 1.790 13.377 ( -1.643 -1.700 0.461) 2.409 13.418 ( -2.232 -0.669 2.301) 3.275 13.632 ( -1.663 3.147 1.905) 4.037 13.751 ( -1.023 0.637 -1.820) 2.182 13.935 ( -0.835 1.939 -0.793) 2.255 14.005 ( -0.714 -0.055 -1.293) 1.478 14.065 ( 0.010 -0.531 1.598) 1.684 14.198 ( -0.304 1.635 2.555) 3.048 14.223 ( 1.742 -2.590 3.433) 4.640 14.252 ( 0.998 -3.810 -0.231) 3.945 14.364 ( -1.942 0.714 2.041) 2.906 14.691 ( -5.784 -4.829 1.227) 7.634 14.923 ( 4.348 3.229 -0.257) 5.422 15.093 ( -4.096 -5.024 -1.127) 6.579 15.194 ( -4.876 8.295 0.749) 9.651 15.572 ( -0.236 6.299 -10.213) 12.002 15.684 ( 0.989 0.253 0.235) 1.048 15.699 ( -1.379 0.316 0.359) 1.460 15.945 ( 3.104 -0.000 -0.578) 3.157 16.114 ( 2.706 -2.504 1.087) 3.844 22.203 ( 0.593 3.555 -1.253) 3.815 22.242 ( 2.196 6.341 -3.512) 7.574 22.493 ( 2.407 -1.722 1.895) 3.514 22.596 ( -1.191 -0.728 2.517) 2.878 22.625 ( 4.536 -0.680 0.334) 4.599 22.671 ( -0.230 -0.865 -0.247) 0.928 22.779 ( 0.562 2.757 -0.842) 2.937 22.987 ( -0.569 1.223 4.041) 4.260 23.130 ( 0.523 0.294 4.462) 4.502 23.201 ( 1.357 -2.361 2.964) 4.025 23.239 ( 0.003 1.166 -1.718) 2.076 23.308 ( 1.894 -1.004 -0.878) 2.316 23.388 ( 0.684 4.460 -0.364) 4.527 23.626 ( 1.632 -2.391 0.291) 2.910 23.718 ( 2.250 -1.735 1.512) 3.218 23.829 ( -0.646 -1.516 -4.445) 4.740 23.840 ( 4.197 -0.788 0.854) 4.355 23.952 ( 0.000 -3.221 -2.363) 3.995 24.051 ( -0.200 0.968 -0.134) 0.998 24.055 ( 0.139 0.921 0.029) 0.932 24.093 ( -3.514 -1.540 -1.726) 4.207 24.180 ( -1.539 0.145 -0.478) 1.618 24.201 ( 0.504 -1.631 2.882) 3.350 24.230 ( -0.552 0.550 0.812) 1.125 24.340 ( -3.999 -0.457 -1.811) 4.414 24.467 ( 1.126 -0.201 -1.705) 2.054 24.769 ( 12.532 0.577 5.949) 13.884 24.854 ( 4.233 -0.501 0.833) 4.343 25.099 ( -0.195 2.061 1.067) 2.329 25.237 ( -5.088 -2.110 1.518) 5.714 25.301 ( -7.137 0.877 -0.553) 7.212 25.365 ( -9.507 -1.852 -10.877) 14.564 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.080 17.456 6.507) 18.630 1.138 ( 1.905 18.609 5.666) 19.545 1.298 ( -2.285 -10.010 1.892) 10.441 1.421 ( 3.592 -6.271 4.108) 8.313 1.542 ( 5.692 7.735 -0.730) 9.631 1.769 ( 6.880 -6.281 -2.283) 9.592 1.866 ( -1.817 0.974 -4.416) 4.873 1.886 ( 1.891 -0.405 -1.194) 2.273 2.019 ( 4.812 -3.584 -2.719) 6.587 2.071 ( 2.712 -4.236 -3.294) 6.013 2.123 ( -0.945 3.612 -1.593) 4.060 2.163 ( -1.648 3.448 2.073) 4.348 2.260 ( -1.390 6.674 -2.197) 7.163 2.305 ( -1.332 -0.018 -0.421) 1.397 2.345 ( 3.553 4.627 2.266) 6.259 2.487 ( 1.219 -3.323 4.128) 5.437 2.584 ( -4.207 4.146 5.469) 8.050 2.612 ( -6.494 -0.575 1.155) 6.620 2.658 ( 1.101 4.158 1.567) 4.578 2.746 ( -2.489 3.294 2.682) 4.923 2.753 ( -1.751 -1.273 2.823) 3.558 2.825 ( -6.595 0.697 0.568) 6.656 2.900 ( -6.974 -5.054 4.335) 9.642 3.033 ( 3.046 -7.774 3.170) 8.931 3.053 ( -3.593 2.918 2.076) 5.073 3.090 ( -2.128 1.082 0.618) 2.466 3.122 ( 1.357 -5.649 0.177) 5.812 3.176 ( 0.382 -3.901 1.007) 4.047 3.306 ( 3.599 1.474 7.426) 8.383 3.401 ( -1.571 -7.095 6.418) 9.696 3.471 ( 2.187 2.898 -0.260) 3.640 3.542 ( 4.941 -2.080 -4.254) 6.843 3.677 ( 3.888 4.116 0.444) 5.680 3.730 ( 0.347 1.301 -1.505) 2.019 3.906 ( -1.788 2.204 2.936) 4.083 3.972 ( -2.940 -3.715 6.619) 8.140 4.059 ( 1.826 4.989 2.540) 5.888 4.125 ( 2.084 -0.620 4.797) 5.267 4.193 ( -0.951 4.782 -3.111) 5.783 4.209 ( -2.295 2.214 0.215) 3.196 4.259 ( -4.470 1.049 -3.656) 5.869 4.300 ( 1.036 -1.879 -2.763) 3.498 4.363 ( 2.121 0.121 -0.067) 2.126 4.394 ( -2.185 1.172 -3.086) 3.959 4.428 ( -1.051 4.020 -0.038) 4.155 4.585 ( -0.142 -3.822 -3.729) 5.341 4.685 ( 2.152 4.197 -4.264) 6.358 4.725 ( -1.868 -0.387 3.162) 3.693 4.805 ( -0.373 -4.650 -2.216) 5.164 4.841 ( -1.298 -4.722 -1.009) 5.000 4.970 ( 0.570 1.593 -2.233) 2.802 5.027 ( -2.777 -3.743 -6.005) 7.601 5.077 ( -0.907 3.650 -1.637) 4.102 5.135 ( 1.616 -1.149 -1.612) 2.555 5.315 ( 4.976 3.046 -1.126) 5.942 5.376 ( 3.574 -1.142 -4.475) 5.839 5.438 ( 0.282 -3.361 0.947) 3.504 5.469 ( 0.172 -4.058 0.482) 4.090 5.618 ( -2.338 3.737 3.168) 5.429 5.697 ( -0.975 -3.723 0.946) 3.963 5.960 ( -4.614 1.821 -1.279) 5.123 6.010 ( -1.928 -2.929 0.370) 3.525 6.109 ( 5.428 2.544 2.673) 6.564 6.165 ( 5.301 -2.840 -0.052) 6.014 6.518 ( 0.719 4.347 0.745) 4.469 6.605 ( -0.119 -3.562 0.623) 3.618 6.677 ( -0.930 7.907 -4.343) 9.069 6.791 ( -0.854 -2.126 -4.385) 4.948 7.028 ( 1.272 0.869 -1.581) 2.208 7.075 ( -0.314 -3.427 1.112) 3.616 7.167 ( -0.387 0.616 -3.161) 3.243 7.199 ( -0.522 -2.565 -1.153) 2.860 7.864 ( 0.795 1.827 -0.666) 2.101 7.912 ( 1.038 -2.540 -1.773) 3.267 7.939 ( -0.546 3.643 -1.276) 3.899 8.026 ( 0.150 -3.998 -2.710) 4.832 8.218 ( -1.662 1.266 1.613) 2.640 8.249 ( -0.454 -0.731 0.001) 0.860 8.430 ( -0.309 2.185 1.924) 2.928 8.537 ( 0.368 -6.692 -1.447) 6.856 9.139 ( 0.965 2.983 0.226) 3.143 9.198 ( 0.784 -2.126 -1.633) 2.793 9.301 ( -1.420 0.895 -1.727) 2.408 9.324 ( -1.054 -1.185 -2.079) 2.615 9.429 ( -0.726 2.108 0.722) 2.343 9.468 ( 0.817 -1.597 -0.260) 1.813 9.595 ( -0.632 3.980 2.027) 4.511 9.672 ( 1.428 -3.111 0.664) 3.487 9.884 ( 0.448 0.708 4.784) 4.857 9.892 ( 0.765 0.102 4.625) 4.689 10.159 ( -0.415 1.180 -2.378) 2.687 10.195 ( -0.352 -2.038 -1.558) 2.590 11.980 ( -0.336 1.786 -2.661) 3.222 12.009 ( -0.197 -0.971 -2.544) 2.730 12.124 ( 0.670 1.462 -0.851) 1.819 12.133 ( -0.206 0.141 -0.862) 0.898 12.227 ( 1.324 1.971 0.735) 2.485 12.271 ( -0.747 -2.365 0.872) 2.629 12.408 ( -1.521 1.737 -0.320) 2.331 12.445 ( -0.218 -1.683 -1.712) 2.411 13.189 ( -1.248 0.117 3.592) 3.805 13.220 ( -1.406 -2.124 2.027) 3.256 13.266 ( -1.322 1.464 0.704) 2.094 13.301 ( 2.588 -1.356 0.166) 2.927 13.338 ( 1.916 -1.876 1.386) 3.018 13.341 ( 0.508 -1.258 0.672) 1.514 13.705 ( 0.466 3.933 0.865) 4.054 13.759 ( 0.667 -1.017 -0.451) 1.297 13.965 ( 1.085 0.524 -0.836) 1.466 13.979 ( 0.262 -0.924 -1.188) 1.528 14.074 ( -0.561 1.490 1.144) 1.961 14.106 ( -1.525 -1.358 0.515) 2.106 14.253 ( 1.049 0.700 3.292) 3.526 14.272 ( 2.543 -0.965 5.688) 6.305 14.382 ( -1.416 3.488 -0.337) 3.780 14.470 ( -3.750 -4.623 0.043) 5.953 14.997 ( 0.309 1.915 1.898) 2.714 15.040 ( 1.319 -2.072 2.658) 3.619 15.365 ( -0.245 11.155 -2.621) 11.462 15.565 ( 0.998 -7.279 -6.017) 9.497 15.703 ( 0.255 0.958 1.237) 1.585 15.715 ( 0.676 -0.090 1.040) 1.244 16.011 ( -0.225 2.837 -2.138) 3.559 16.075 ( -0.660 -3.055 -1.409) 3.428 22.301 ( -0.332 4.998 -1.292) 5.173 22.359 ( 0.118 0.685 -3.429) 3.499 22.494 ( 1.387 -0.245 2.009) 2.453 22.533 ( 0.101 -3.221 2.423) 4.032 22.689 ( 2.582 0.616 1.027) 2.847 22.711 ( 2.863 -0.664 -1.325) 3.224 22.816 ( -2.786 2.924 0.799) 4.117 22.900 ( -5.558 -4.728 2.351) 7.666 23.089 ( -4.135 3.353 0.816) 5.385 23.146 ( -2.264 -2.651 2.731) 4.429 23.281 ( 0.741 2.083 -1.690) 2.783 23.320 ( 1.162 -1.576 -0.763) 2.101 23.496 ( 2.006 5.208 1.371) 5.747 23.595 ( -0.317 -3.108 -2.129) 3.781 23.717 ( 1.608 2.430 1.533) 3.292 23.779 ( -0.937 -1.529 -1.669) 2.450 23.894 ( 1.049 0.224 -0.428) 1.155 23.919 ( 1.758 -2.644 0.823) 3.280 24.040 ( -0.618 0.715 -0.462) 1.051 24.058 ( -1.595 -0.469 -1.441) 2.200 24.097 ( 0.890 2.318 -0.994) 2.675 24.132 ( 1.288 -0.943 -0.898) 1.831 24.199 ( -1.279 1.339 -0.307) 1.877 24.245 ( 0.076 -2.322 -0.213) 2.333 24.313 ( -0.478 1.609 0.814) 1.865 24.365 ( -1.784 -4.039 -0.418) 4.435 24.922 ( -0.102 0.816 1.055) 1.337 24.941 ( 0.069 -1.084 1.113) 1.555 25.107 ( -0.759 0.060 -1.470) 1.656 25.116 ( -3.215 -0.726 -1.370) 3.570 25.252 ( 0.757 1.603 -0.627) 1.881 25.277 ( 5.193 -0.789 -0.715) 5.301 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 10.374 14.321 3.907) 18.110 1.203 ( 5.656 11.972 8.574) 15.775 1.415 ( 11.348 -4.169 -2.596) 12.365 1.557 ( 7.980 -9.700 1.450) 12.644 1.674 ( 4.762 9.756 3.511) 11.410 1.836 ( -1.076 2.237 0.619) 2.558 1.868 ( 0.922 2.808 -1.267) 3.216 1.931 ( 0.938 -8.593 1.554) 8.783 1.998 ( -2.019 -0.573 -2.891) 3.572 2.055 ( -1.682 -2.844 -4.530) 5.607 2.141 ( 0.468 7.609 2.857) 8.141 2.189 ( 2.500 -0.606 1.156) 2.820 2.264 ( -1.386 1.674 -1.826) 2.839 2.305 ( 2.773 -0.212 1.486) 3.153 2.432 ( 0.369 0.511 2.622) 2.696 2.455 ( -1.952 -2.479 -0.971) 3.301 2.494 ( 2.571 4.453 0.691) 5.188 2.567 ( -3.023 2.010 5.227) 6.364 2.641 ( -1.181 5.406 -5.778) 8.000 2.692 ( -3.545 -0.879 -1.078) 3.809 2.707 ( 1.045 1.479 3.898) 4.298 2.770 ( -3.656 -4.261 0.751) 5.664 2.853 ( 8.622 1.063 -2.239) 8.972 2.943 ( -6.407 2.599 2.684) 7.416 3.024 ( -4.975 3.134 2.323) 6.322 3.056 ( -2.101 -5.091 -0.142) 5.510 3.148 ( -2.500 -2.822 -0.478) 3.801 3.216 ( 7.369 -14.509 3.445) 16.634 3.349 ( -1.049 2.229 5.589) 6.108 3.378 ( 0.269 -2.478 7.443) 7.849 3.507 ( 1.653 5.145 5.657) 7.823 3.584 ( 0.752 -1.112 -0.690) 1.509 3.785 ( 1.554 3.167 0.470) 3.559 3.801 ( 6.734 1.437 -2.199) 7.228 3.855 ( -2.859 3.214 2.118) 4.795 3.898 ( -4.262 -2.203 5.440) 7.253 4.033 ( -5.247 1.705 4.419) 7.069 4.107 ( -3.025 -3.340 5.361) 7.003 4.157 ( -2.316 8.895 -8.596) 12.585 4.188 ( 1.740 0.506 -1.223) 2.186 4.221 ( 1.365 -1.918 1.548) 2.818 4.270 ( -4.685 -0.391 -1.390) 4.902 4.372 ( -0.244 -0.684 -2.351) 2.461 4.406 ( 2.052 4.453 -1.121) 5.029 4.435 ( -1.032 -2.443 1.101) 2.872 4.587 ( 0.470 -4.557 -3.181) 5.577 4.637 ( -5.215 -1.179 2.441) 5.877 4.679 ( -2.731 4.608 -4.431) 6.952 4.721 ( -6.368 -4.682 -0.332) 7.911 4.794 ( -1.273 -5.225 -0.571) 5.408 4.946 ( -1.294 5.057 -2.656) 5.857 5.012 ( -0.009 3.010 -2.830) 4.132 5.017 ( -3.775 -0.209 -2.027) 4.290 5.123 ( -1.053 -4.083 -2.915) 5.126 5.378 ( -0.335 2.511 2.575) 3.612 5.464 ( 2.140 -4.453 0.967) 5.034 5.476 ( 4.815 2.323 -2.671) 5.976 5.550 ( 6.866 -3.069 -2.664) 7.979 5.630 ( 3.174 2.681 -0.166) 4.158 5.694 ( 0.767 -3.904 0.154) 3.982 5.923 ( 0.200 3.695 -1.304) 3.923 6.004 ( 1.230 -3.801 -0.006) 3.995 6.190 ( 3.137 0.996 2.217) 3.968 6.217 ( -0.123 -1.472 1.110) 1.848 6.575 ( 1.422 1.900 0.642) 2.459 6.619 ( 1.097 -0.842 -0.694) 1.547 6.638 ( -0.605 4.803 -4.174) 6.393 6.743 ( -2.331 -2.682 -4.746) 5.929 7.027 ( -1.742 0.328 -1.205) 2.144 7.059 ( -0.705 -2.500 2.302) 3.471 7.180 ( 1.642 1.069 -2.930) 3.524 7.213 ( 1.770 -2.144 -2.227) 3.563 7.883 ( 0.910 2.917 -0.922) 3.192 7.937 ( 2.116 -0.864 -1.113) 2.543 7.951 ( 1.290 1.202 -2.646) 3.179 8.030 ( 0.210 -4.227 -1.975) 4.671 8.213 ( 1.036 1.932 1.237) 2.517 8.255 ( 1.034 -1.259 -0.209) 1.643 8.418 ( -0.928 2.856 2.204) 3.725 8.535 ( -0.384 -7.106 -0.816) 7.163 9.140 ( -0.727 2.526 0.690) 2.717 9.195 ( -0.682 -2.470 -1.408) 2.924 9.286 ( 0.027 1.831 -1.351) 2.275 9.322 ( 0.130 -1.550 -1.001) 1.850 9.413 ( -0.734 3.045 -0.081) 3.134 9.478 ( 0.368 -3.259 -0.037) 3.280 9.579 ( -0.994 5.123 1.400) 5.403 9.675 ( -1.068 -4.151 1.397) 4.508 9.888 ( -0.387 1.276 4.730) 4.915 9.902 ( -0.052 -0.131 4.927) 4.929 10.152 ( -0.043 1.529 -3.036) 3.400 10.188 ( -0.128 -1.771 -1.782) 2.516 11.978 ( 0.231 1.882 -2.623) 3.236 12.007 ( 0.179 -1.011 -2.514) 2.716 12.107 ( -1.366 1.861 -0.957) 2.499 12.137 ( -0.340 -0.714 -0.437) 0.904 12.229 ( -1.840 0.285 2.327) 2.980 12.234 ( -1.829 -0.119 1.815) 2.580 12.372 ( -1.649 3.111 -1.283) 3.748 12.430 ( -0.802 -2.141 -1.118) 2.545 13.159 ( -1.387 -0.324 1.988) 2.446 13.179 ( -2.020 -1.969 1.117) 3.034 13.274 ( 1.358 1.944 0.259) 2.385 13.318 ( 0.739 -1.775 -0.291) 1.944 13.394 ( 2.851 -0.953 2.299) 3.784 13.412 ( 3.635 -2.669 2.491) 5.152 13.726 ( 1.483 3.677 0.056) 3.966 13.776 ( 1.250 -0.938 -0.641) 1.689 13.981 ( 0.685 0.538 -1.181) 1.467 14.002 ( 1.737 -0.941 -1.420) 2.433 14.073 ( 0.077 1.014 1.376) 1.711 14.090 ( -0.744 -0.525 0.752) 1.181 14.253 ( -0.666 1.841 3.743) 4.225 14.287 ( -0.268 -1.097 4.529) 4.668 14.406 ( 2.819 2.634 0.233) 3.865 14.474 ( 3.796 -3.510 -2.769) 5.865 15.005 ( 0.408 2.363 1.268) 2.713 15.063 ( 0.610 -3.207 1.810) 3.733 15.375 ( 1.347 10.739 -1.386) 10.912 15.580 ( 0.485 -7.892 -2.993) 8.455 15.710 ( 0.488 0.774 0.561) 1.073 15.727 ( 0.761 -0.753 1.112) 1.543 15.969 ( -3.459 2.461 -2.368) 4.861 16.025 ( -4.026 -2.542 -1.486) 4.988 22.283 ( -1.274 4.534 -1.397) 4.913 22.337 ( -1.994 0.295 -3.194) 3.777 22.496 ( -1.691 0.601 3.284) 3.742 22.528 ( -0.546 -2.463 1.893) 3.154 22.700 ( -4.703 0.964 3.292) 5.822 22.733 ( -1.141 -2.442 2.463) 3.652 22.770 ( 0.736 3.306 -2.545) 4.237 22.831 ( 1.341 -2.444 -1.484) 3.158 23.039 ( -1.007 3.128 1.868) 3.780 23.096 ( -2.240 -2.498 1.871) 3.842 23.288 ( -0.172 1.852 -0.388) 1.900 23.326 ( -0.496 -1.781 0.353) 1.883 23.539 ( 1.095 4.005 -0.067) 4.153 23.584 ( -0.105 -0.255 -2.335) 2.352 23.717 ( -2.496 2.980 0.619) 3.936 23.770 ( -0.520 -1.431 0.136) 1.528 23.867 ( -2.199 1.091 -3.515) 4.288 23.908 ( -2.271 -1.909 -0.274) 2.979 24.052 ( 1.487 1.734 -0.288) 2.302 24.076 ( 3.260 -0.435 -0.959) 3.426 24.110 ( 0.631 2.110 -0.435) 2.245 24.167 ( 1.508 -1.412 -2.227) 3.038 24.204 ( 1.432 -0.071 1.326) 1.953 24.235 ( -0.467 -4.066 -0.730) 4.157 24.327 ( 1.990 -0.614 0.884) 2.263 24.336 ( -1.013 -1.132 -0.063) 1.520 24.820 ( -7.440 1.883 2.863) 8.191 24.866 ( -5.957 -2.398 1.900) 6.696 25.089 ( 0.474 2.039 -0.591) 2.175 25.134 ( 2.727 -2.261 -0.626) 3.597 25.338 ( 6.226 4.292 -1.946) 7.808 25.435 ( 7.897 -5.330 -2.189) 9.776 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 7.893 11.531 7.641) 15.927 1.373 ( 8.375 7.086 6.983) 13.004 1.610 ( 4.702 2.193 -5.419) 7.502 1.649 ( -4.508 4.305 2.525) 6.725 1.713 ( 8.263 -6.636 -7.547) 13.011 1.736 ( -5.728 -4.290 0.206) 7.160 1.838 ( -3.106 2.456 0.436) 3.983 1.951 ( -2.463 -6.795 -3.206) 7.907 1.996 ( 1.109 0.577 0.113) 1.255 2.019 ( 0.264 -2.096 -0.554) 2.185 2.131 ( -2.036 4.145 7.068) 8.443 2.221 ( -3.187 2.674 -4.452) 6.093 2.244 ( 3.260 -1.438 2.976) 4.642 2.309 ( -1.747 -3.461 6.271) 7.372 2.390 ( -0.538 -0.094 5.940) 5.965 2.453 ( -3.530 -5.633 4.528) 8.043 2.562 ( 4.007 3.277 -4.283) 6.719 2.591 ( 5.578 0.545 -6.576) 8.640 2.645 ( 2.286 3.103 -5.396) 6.631 2.657 ( 2.089 2.801 -6.544) 7.419 2.771 ( 0.411 3.934 -1.904) 4.390 2.803 ( 0.625 2.167 -1.065) 2.495 2.890 ( -0.304 3.044 3.939) 4.987 2.909 ( -3.862 2.635 1.241) 4.837 3.023 ( 7.420 0.793 2.108) 7.754 3.072 ( 8.757 -2.208 -1.515) 9.157 3.102 ( 1.137 2.395 0.710) 2.744 3.316 ( -1.901 2.891 3.283) 4.770 3.356 ( 3.226 -7.030 4.913) 9.164 3.411 ( 4.276 -3.901 3.778) 6.912 3.547 ( 1.855 3.196 8.314) 9.099 3.606 ( 1.685 -3.498 5.789) 6.970 3.717 ( -9.330 4.791 4.312) 11.340 3.780 ( -2.379 4.075 -0.389) 4.735 3.813 ( -3.235 -4.268 5.002) 7.328 3.914 ( 0.957 -2.671 -0.457) 2.874 3.959 ( -3.312 2.531 4.170) 5.896 4.047 ( -4.032 -5.145 4.901) 8.169 4.082 ( -4.387 3.600 -6.527) 8.649 4.122 ( -7.085 1.529 -1.480) 7.398 4.226 ( 0.121 0.124 1.648) 1.657 4.251 ( 1.919 0.902 1.268) 2.471 4.363 ( -0.610 -0.528 -0.241) 0.842 4.389 ( -1.636 -4.867 0.740) 5.188 4.431 ( -0.732 3.669 2.459) 4.477 4.547 ( -0.692 2.919 -2.258) 3.755 4.588 ( -0.446 -4.406 -0.087) 4.430 4.639 ( -3.630 -3.871 -2.956) 6.074 4.670 ( 2.395 1.467 -1.179) 3.046 4.783 ( -0.148 -4.958 1.900) 5.311 4.898 ( -2.947 3.768 -3.025) 5.660 4.938 ( -3.800 -0.299 -1.620) 4.142 5.046 ( 2.861 2.473 -3.910) 5.440 5.124 ( 1.890 -3.559 -6.979) 8.059 5.382 ( 0.816 3.640 1.766) 4.127 5.487 ( 0.412 -5.148 0.578) 5.197 5.532 ( 1.105 4.108 0.225) 4.260 5.617 ( 0.799 -2.901 1.882) 3.549 5.718 ( 3.600 1.546 -3.768) 5.436 5.758 ( 5.265 -2.570 -4.315) 7.276 5.928 ( 0.976 4.960 0.638) 5.095 6.025 ( 0.143 -2.959 1.523) 3.331 6.174 ( -3.935 2.781 1.159) 4.956 6.251 ( 1.974 -3.806 -0.893) 4.380 6.515 ( -3.528 4.110 -1.534) 5.629 6.578 ( -3.403 -2.174 -1.758) 4.404 6.698 ( 3.047 1.091 -3.275) 4.605 6.748 ( 1.783 -2.827 -4.793) 5.843 6.981 ( -2.161 2.745 1.549) 3.821 7.054 ( 0.060 -3.950 1.609) 4.265 7.210 ( 1.404 1.512 -2.884) 3.547 7.248 ( 1.690 -2.179 -2.731) 3.881 7.899 ( 0.869 4.788 -1.050) 4.978 7.959 ( -0.186 2.126 -1.961) 2.898 7.987 ( 2.142 -2.666 -2.593) 4.292 8.029 ( 0.011 -4.074 -1.158) 4.235 8.251 ( 2.450 1.653 1.043) 3.134 8.281 ( 1.320 0.176 -0.487) 1.418 8.406 ( -0.234 1.878 2.908) 3.470 8.526 ( -0.475 -7.799 -0.245) 7.817 9.122 ( -1.071 2.222 1.552) 2.915 9.181 ( -0.702 -3.121 -0.351) 3.218 9.280 ( -0.633 1.681 -0.482) 1.860 9.307 ( -1.208 -0.881 -0.224) 1.511 9.420 ( 1.630 3.708 -0.750) 4.120 9.494 ( 1.389 -3.341 0.241) 3.626 9.560 ( -1.136 3.729 0.688) 3.959 9.640 ( -2.441 -3.804 1.830) 4.876 9.880 ( -0.741 1.355 4.380) 4.644 9.897 ( -0.733 -0.367 4.553) 4.626 10.152 ( 0.168 1.700 -3.212) 3.638 10.189 ( 0.376 -1.797 -2.096) 2.786 11.985 ( 0.748 2.411 -2.214) 3.358 12.014 ( 0.720 -0.513 -2.288) 2.453 12.081 ( -1.216 1.753 -0.957) 2.339 12.115 ( -1.617 -1.431 -0.098) 2.162 12.186 ( -1.663 0.978 3.509) 4.004 12.215 ( -0.835 -1.622 3.183) 3.668 12.347 ( -0.718 3.963 -1.615) 4.339 12.417 ( -0.471 -2.594 -1.058) 2.841 13.142 ( -0.564 -0.889 0.877) 1.371 13.153 ( -0.719 -1.687 0.230) 1.848 13.301 ( 1.282 1.729 0.373) 2.184 13.339 ( 1.151 -1.244 -0.568) 1.787 13.432 ( 0.716 -0.674 3.321) 3.463 13.453 ( 0.546 -2.558 3.342) 4.244 13.753 ( 1.117 3.885 -1.280) 4.240 13.806 ( 1.398 -1.072 -1.892) 2.585 13.997 ( 1.021 0.813 -0.879) 1.573 14.023 ( 0.139 -1.123 -0.585) 1.274 14.065 ( -1.013 0.178 1.061) 1.477 14.077 ( 0.001 -1.183 0.880) 1.474 14.249 ( 0.231 3.992 3.478) 5.300 14.312 ( 1.690 -1.099 2.246) 3.018 14.460 ( 2.633 4.688 -0.932) 5.457 14.559 ( 4.388 -4.473 -3.477) 7.166 15.010 ( -0.504 2.587 0.734) 2.736 15.060 ( -0.693 -1.832 -1.111) 2.251 15.416 ( 2.818 7.582 1.498) 8.226 15.575 ( -0.488 -6.462 0.442) 6.496 15.712 ( -1.413 0.988 0.358) 1.761 15.746 ( 1.077 -1.739 1.934) 2.815 15.908 ( -1.763 0.319 -3.287) 3.744 15.933 ( -4.558 -1.689 -1.723) 5.157 22.257 ( -1.138 3.843 -1.331) 4.223 22.293 ( -1.739 1.064 -2.543) 3.259 22.453 ( -2.376 0.965 3.330) 4.203 22.502 ( -2.085 -3.516 1.519) 4.361 22.628 ( -1.628 3.049 3.037) 4.601 22.698 ( -2.178 -3.577 3.679) 5.574 22.812 ( 2.609 3.817 -2.953) 5.486 22.883 ( 3.156 -2.899 -1.770) 4.636 23.040 ( 0.690 2.122 2.639) 3.456 23.077 ( 0.042 -1.581 2.388) 2.864 23.274 ( -1.112 1.407 0.302) 1.819 23.306 ( -1.378 -1.549 0.807) 2.225 23.533 ( -0.730 5.872 -1.368) 6.073 23.596 ( 1.096 -0.806 -1.846) 2.293 23.650 ( -3.360 2.619 -0.532) 4.293 23.723 ( -3.966 -3.617 -0.846) 5.434 23.836 ( -0.522 2.609 -2.001) 3.329 23.892 ( 0.619 -2.269 -2.690) 3.574 24.076 ( 0.800 3.736 -1.457) 4.089 24.121 ( 1.041 0.810 -0.255) 1.343 24.134 ( 1.249 -0.303 0.305) 1.321 24.170 ( -0.279 -3.726 -4.055) 5.514 24.230 ( 0.620 0.869 0.779) 1.321 24.247 ( 0.965 -1.120 0.676) 1.625 24.336 ( 1.615 1.974 0.568) 2.613 24.398 ( 4.866 -4.232 0.035) 6.449 24.684 ( -6.529 1.830 4.402) 8.084 24.746 ( -6.133 -3.909 1.902) 7.518 25.119 ( 2.117 3.257 1.260) 4.083 25.193 ( 3.010 -3.756 1.052) 4.927 25.443 ( 4.217 4.005 -3.759) 6.925 25.535 ( 2.447 -4.898 -3.061) 6.273 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -7.581 8.477 5.010) 12.427 1.423 ( -2.446 2.900 9.862) 10.566 1.549 ( -0.321 5.418 -5.741) 7.901 1.647 ( -3.910 1.099 -2.050) 4.550 1.713 ( 3.210 -2.463 -3.223) 5.173 1.783 ( -1.896 -2.491 1.117) 3.324 1.822 ( 0.845 -4.483 -6.863) 8.240 1.878 ( -1.669 -6.106 -7.344) 9.696 1.966 ( -6.310 8.585 6.036) 12.245 2.050 ( 4.141 3.582 -1.015) 5.568 2.112 ( 1.818 -2.989 -0.800) 3.589 2.175 ( -3.403 -6.106 -0.850) 7.042 2.267 ( 2.586 3.528 7.863) 8.998 2.342 ( 2.618 -3.822 7.425) 8.751 2.386 ( -0.582 -1.860 3.740) 4.217 2.412 ( -2.490 -4.214 4.760) 6.828 2.630 ( 0.938 3.249 -6.364) 7.207 2.646 ( -0.312 4.100 -6.493) 7.685 2.679 ( 4.486 2.455 -8.592) 9.999 2.705 ( 1.907 0.285 -2.478) 3.140 2.738 ( -2.664 1.337 -2.242) 3.731 2.790 ( -2.601 -0.350 -3.335) 4.244 2.890 ( 9.883 0.357 -0.421) 9.899 2.929 ( 4.146 -1.287 -1.500) 4.593 3.073 ( -2.889 6.042 5.200) 8.479 3.176 ( -2.667 -1.814 3.559) 4.803 3.291 ( 1.160 7.879 2.188) 8.259 3.338 ( -3.745 0.087 2.390) 4.443 3.358 ( 15.979 5.185 2.143) 16.935 3.451 ( -9.885 3.573 5.544) 11.883 3.566 ( 3.229 3.402 9.013) 10.160 3.603 ( -2.261 8.836 3.942) 9.937 3.616 ( -0.947 -4.507 5.475) 7.154 3.720 ( -2.117 -6.902 6.388) 9.639 3.781 ( -1.948 -4.271 1.822) 5.035 3.825 ( -6.716 -9.725 1.932) 11.976 3.909 ( -0.688 3.144 -1.896) 3.736 3.924 ( 0.986 -0.627 3.236) 3.441 4.064 ( 0.376 3.387 -1.807) 3.857 4.144 ( 4.426 -0.418 0.940) 4.544 4.211 ( -0.797 -0.709 0.967) 1.440 4.291 ( 2.037 2.950 3.529) 5.031 4.349 ( 0.352 -1.485 -1.176) 1.927 4.404 ( 2.775 -2.729 3.073) 4.959 4.426 ( 0.782 -1.755 2.489) 3.145 4.556 ( -0.583 -6.084 -0.538) 6.136 4.577 ( 0.551 3.211 -2.235) 3.950 4.621 ( 2.733 -0.764 -2.831) 4.009 4.720 ( 1.768 -0.370 1.876) 2.605 4.761 ( -2.372 -0.346 3.225) 4.018 4.855 ( -3.765 -0.917 -5.603) 6.813 4.869 ( -0.279 -2.096 -2.823) 3.527 5.095 ( 1.781 4.837 -4.262) 6.688 5.176 ( 3.468 -1.970 -8.926) 9.777 5.394 ( -0.407 0.606 0.051) 0.732 5.476 ( -1.710 -5.586 -0.311) 5.851 5.535 ( -0.683 3.875 1.874) 4.358 5.608 ( -1.706 -2.537 0.525) 3.102 5.752 ( -0.238 3.451 -1.369) 3.720 5.805 ( 1.142 -0.511 -4.687) 4.851 5.974 ( 0.295 2.363 1.865) 3.025 6.023 ( -0.190 -0.558 0.822) 1.012 6.083 ( -3.284 5.142 0.835) 6.158 6.236 ( -2.440 -7.497 -2.487) 8.267 6.486 ( 0.741 3.967 -1.323) 4.247 6.552 ( 0.836 -2.654 -1.603) 3.212 6.731 ( 1.042 0.605 -4.433) 4.594 6.754 ( -0.826 -1.781 -4.674) 5.069 6.960 ( -0.265 4.248 2.288) 4.832 7.062 ( 0.405 -5.207 1.299) 5.382 7.227 ( 0.406 1.726 -2.719) 3.246 7.268 ( 0.459 -2.239 -2.683) 3.524 7.908 ( -0.102 4.484 -0.925) 4.580 7.938 ( -1.580 1.914 -2.202) 3.318 8.004 ( -0.029 -1.666 -1.706) 2.385 8.036 ( 0.502 -3.534 -1.939) 4.062 8.292 ( 1.030 1.460 0.777) 1.948 8.299 ( 0.719 1.870 0.128) 2.008 8.414 ( 0.529 0.015 3.192) 3.236 8.519 ( -0.189 -7.987 -0.211) 7.992 9.101 ( -1.131 2.097 1.772) 2.969 9.163 ( -0.980 -3.628 0.231) 3.765 9.274 ( 0.373 1.817 -0.316) 1.882 9.303 ( 1.063 -0.938 -0.162) 1.427 9.464 ( 2.699 3.630 -0.395) 4.541 9.526 ( 1.023 -0.357 0.937) 1.433 9.534 ( -0.917 0.148 0.012) 0.929 9.590 ( -2.626 -2.935 1.652) 4.271 9.867 ( -0.813 1.080 3.734) 3.971 9.883 ( -0.929 -0.496 4.185) 4.315 10.155 ( 0.371 1.824 -2.849) 3.403 10.197 ( 0.447 -2.103 -2.149) 3.040 12.001 ( 0.848 3.231 -1.983) 3.884 12.030 ( 0.770 0.466 -2.263) 2.435 12.062 ( -0.415 0.877 -0.469) 1.078 12.089 ( -0.772 -1.533 -0.379) 1.758 12.167 ( -0.637 1.088 3.437) 3.661 12.212 ( 0.368 -2.752 3.868) 4.761 12.346 ( 0.727 3.509 -1.225) 3.787 12.410 ( -0.142 -2.457 -1.281) 2.775 13.138 ( 0.191 -0.844 0.501) 1.000 13.150 ( 0.330 -1.639 0.129) 1.677 13.319 ( 0.357 1.694 0.313) 1.759 13.353 ( 0.158 -0.962 -0.768) 1.241 13.430 ( -1.057 -0.574 3.539) 3.738 13.448 ( -1.068 -2.312 3.619) 4.425 13.759 ( -0.454 3.867 -2.012) 4.382 13.811 ( -0.713 -1.108 -2.830) 3.122 14.005 ( -0.746 -0.245 0.314) 0.845 14.015 ( -0.594 -0.726 0.436) 1.034 14.060 ( 1.019 0.990 0.317) 1.456 14.095 ( 1.432 -2.145 0.421) 2.613 14.249 ( -0.894 5.072 2.472) 5.713 14.323 ( -0.991 -1.313 1.964) 2.562 14.503 ( 1.479 6.191 -1.714) 6.592 14.627 ( 2.625 -5.645 -2.600) 6.747 14.974 ( -2.447 4.235 -0.043) 4.891 15.052 ( -0.316 -3.144 -2.332) 3.927 15.474 ( 2.109 6.299 3.606) 7.558 15.580 ( 0.920 -3.009 2.240) 3.862 15.657 ( -2.599 0.810 -1.321) 3.025 15.738 ( -3.168 -5.466 1.937) 6.608 15.870 ( 0.349 2.522 -3.163) 4.060 15.926 ( 2.350 -2.765 -1.743) 4.026 22.245 ( 0.203 3.782 -1.085) 3.940 22.278 ( 0.386 1.396 -2.433) 2.831 22.422 ( -0.907 0.551 3.079) 3.256 22.473 ( -0.653 -3.756 1.020) 3.947 22.619 ( -0.012 1.437 2.635) 3.001 22.663 ( -1.469 -2.349 3.281) 4.295 22.856 ( 1.904 4.709 -2.489) 5.657 22.938 ( 2.373 -3.121 -0.428) 3.944 23.065 ( 1.601 1.634 3.615) 4.278 23.092 ( 1.111 -1.222 3.184) 3.587 23.253 ( -0.811 1.400 0.002) 1.618 23.284 ( -0.762 -1.440 0.355) 1.668 23.525 ( -0.021 7.866 -1.336) 7.979 23.599 ( -1.686 1.174 -0.815) 2.210 23.619 ( 0.942 -0.770 -0.702) 1.405 23.671 ( 0.116 -5.558 -2.962) 6.299 23.833 ( 0.060 3.548 -1.133) 3.725 23.908 ( 0.827 -3.468 -3.139) 4.751 24.085 ( 0.303 3.186 -1.134) 3.396 24.120 ( -1.167 0.803 -1.148) 1.823 24.134 ( -0.717 -0.345 -0.419) 0.900 24.171 ( 0.250 -2.710 -2.736) 3.859 24.227 ( -0.702 0.806 0.401) 1.142 24.249 ( -0.320 -1.003 0.431) 1.138 24.405 ( 4.385 3.875 -0.171) 5.855 24.477 ( 1.668 -2.919 -2.204) 4.020 24.586 ( -3.112 0.686 6.025) 6.815 24.652 ( -2.408 -5.354 2.779) 6.495 25.156 ( 1.247 3.674 2.595) 4.668 25.238 ( 1.245 -4.112 2.502) 4.971 25.486 ( 0.442 1.768 -5.280) 5.586 25.532 ( -2.335 -2.585 -3.440) 4.896 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -8.943 13.286 5.242) 16.852 1.323 ( -8.136 2.823 10.550) 13.619 1.499 ( -4.127 -0.294 -4.836) 6.364 1.605 ( -0.110 2.714 -7.460) 7.939 1.684 ( -4.473 -5.248 -1.847) 7.139 1.757 ( -8.680 -0.177 -4.355) 9.712 1.814 ( 1.446 1.121 -2.124) 2.804 1.844 ( 3.295 -4.079 -2.388) 5.762 1.911 ( 0.533 -2.249 -0.078) 2.312 1.973 ( -10.139 -5.585 2.096) 11.764 2.157 ( 3.866 2.157 0.042) 4.427 2.242 ( 3.156 -4.618 1.317) 5.746 2.300 ( -0.036 4.344 8.775) 9.792 2.347 ( -0.978 1.356 2.918) 3.363 2.374 ( -1.212 0.097 0.070) 1.218 2.423 ( 3.699 -3.515 1.117) 5.223 2.591 ( -1.600 4.744 -2.264) 5.495 2.633 ( -0.756 0.912 -5.164) 5.298 2.699 ( 0.809 3.078 -3.129) 4.463 2.732 ( -0.663 0.445 1.638) 1.822 2.786 ( 4.443 3.671 -5.332) 7.852 2.833 ( 5.652 -0.332 -7.809) 9.645 2.952 ( -6.648 11.575 7.454) 15.288 3.020 ( 3.530 0.344 -0.696) 3.614 3.053 ( 3.432 -1.393 4.400) 5.751 3.093 ( -1.930 -0.925 4.396) 4.889 3.247 ( -7.034 3.157 0.980) 7.772 3.287 ( -1.709 -1.597 6.611) 7.013 3.320 ( -2.997 0.678 4.886) 5.772 3.441 ( -7.290 -4.411 1.144) 8.597 3.454 ( -1.536 -0.000 3.647) 3.958 3.549 ( -7.836 -5.085 8.041) 12.325 3.670 ( 2.092 3.273 5.398) 6.651 3.747 ( 7.211 3.704 2.629) 8.522 3.823 ( 3.947 -2.861 4.728) 6.791 3.851 ( 4.693 -3.400 -0.981) 5.877 3.948 ( 3.858 1.612 -0.495) 4.210 3.972 ( 2.904 -0.308 -0.289) 2.935 4.078 ( 1.370 5.510 -0.569) 5.707 4.193 ( 0.400 5.606 1.737) 5.883 4.222 ( 1.383 -6.588 -0.975) 6.802 4.324 ( 1.499 6.723 -0.840) 6.939 4.389 ( 2.408 -4.271 0.203) 4.907 4.449 ( 1.849 -4.002 1.285) 4.591 4.494 ( 3.573 -0.323 3.404) 4.946 4.568 ( 2.056 -5.040 -0.765) 5.497 4.624 ( 2.269 3.739 0.858) 4.457 4.671 ( 2.885 3.677 1.000) 4.780 4.707 ( -2.882 -0.798 2.095) 3.651 4.772 ( 6.021 -3.324 -0.562) 6.900 4.804 ( -0.031 -0.184 -8.779) 8.781 4.866 ( -0.396 -4.802 -0.664) 4.864 5.103 ( -0.472 5.448 -2.748) 6.120 5.219 ( 0.795 -3.497 -7.285) 8.120 5.347 ( -4.033 0.159 0.082) 4.037 5.419 ( -3.625 -3.838 0.131) 5.281 5.508 ( -1.922 2.002 0.514) 2.822 5.564 ( -2.854 -2.340 -0.667) 3.750 5.742 ( -0.641 3.957 -2.004) 4.481 5.804 ( -1.695 -0.790 -4.077) 4.486 5.933 ( 0.008 2.774 0.052) 2.774 5.981 ( -3.073 -1.640 1.671) 3.863 6.084 ( 0.624 3.316 1.284) 3.610 6.200 ( -1.999 -7.144 -2.848) 7.946 6.524 ( 2.628 4.016 -0.724) 4.854 6.581 ( 1.635 -1.455 -1.730) 2.790 6.720 ( -1.907 0.589 -3.195) 3.767 6.744 ( 0.731 -0.059 -4.520) 4.579 6.968 ( 0.967 3.523 1.341) 3.892 7.067 ( 0.067 -5.530 1.476) 5.724 7.221 ( -0.819 1.422 -2.765) 3.215 7.261 ( -1.022 -2.370 -2.202) 3.393 7.890 ( -1.519 2.565 -1.368) 3.280 7.910 ( -0.933 1.560 -1.756) 2.527 7.994 ( -0.913 -0.276 -1.683) 1.935 8.037 ( -0.189 -2.575 -2.643) 3.695 8.288 ( -0.984 2.272 0.330) 2.497 8.304 ( -0.737 0.366 1.520) 1.728 8.423 ( 0.205 -0.384 3.094) 3.125 8.518 ( 0.148 -7.510 -0.559) 7.533 9.091 ( 0.248 2.347 0.887) 2.521 9.155 ( 0.298 -3.447 -0.397) 3.483 9.295 ( 1.567 2.356 -0.618) 2.896 9.337 ( 1.901 -1.468 -0.028) 2.402 9.488 ( -1.898 2.511 -0.585) 3.202 9.502 ( -1.559 0.561 0.711) 1.803 9.550 ( 1.728 -0.165 0.727) 1.882 9.577 ( 1.680 -1.665 1.437) 2.768 9.858 ( -0.154 0.741 3.511) 3.592 9.871 ( -0.507 -0.546 4.231) 4.296 10.162 ( 0.438 1.507 -2.367) 2.840 10.202 ( 0.202 -2.305 -1.889) 2.986 12.006 ( -0.259 2.801 -2.523) 3.778 12.028 ( -0.468 0.401 -2.543) 2.617 12.072 ( 1.043 1.141 0.112) 1.550 12.096 ( 1.691 -0.697 -0.410) 1.874 12.166 ( 0.305 1.910 2.980) 3.553 12.234 ( 1.446 -3.540 3.387) 5.108 12.375 ( 2.244 1.667 -0.632) 2.866 12.412 ( 0.434 -1.577 -1.413) 2.161 13.150 ( 0.925 -0.348 0.895) 1.333 13.166 ( 1.302 -1.604 0.296) 2.087 13.313 ( -0.924 1.422 0.304) 1.723 13.341 ( -1.190 -0.847 -0.996) 1.768 13.399 ( -2.346 -0.301 2.945) 3.777 13.421 ( -1.876 -2.179 3.332) 4.401 13.737 ( -1.530 3.459 -1.261) 3.987 13.783 ( -1.673 -0.861 -2.371) 3.027 13.981 ( -1.480 0.128 -0.179) 1.497 14.000 ( -0.846 -1.352 -0.198) 1.607 14.091 ( 1.425 1.538 0.418) 2.138 14.124 ( 1.397 -1.713 1.332) 2.581 14.221 ( -1.555 3.354 1.921) 4.166 14.281 ( -3.168 -1.511 1.462) 3.802 14.501 ( -1.728 6.543 -0.500) 6.786 14.641 ( -1.541 -6.686 -0.681) 6.895 14.950 ( 0.438 4.389 -0.499) 4.439 15.037 ( -0.866 -4.384 -1.145) 4.613 15.461 ( -3.405 8.752 3.074) 9.881 15.596 ( -0.121 -1.974 1.303) 2.369 15.658 ( 1.339 -1.075 -1.377) 2.202 15.672 ( -0.881 -4.155 -1.721) 4.583 15.914 ( 3.464 3.219 -1.866) 5.083 15.986 ( 3.572 -3.493 -0.372) 5.010 22.265 ( 1.679 4.168 -1.266) 4.668 22.300 ( 1.832 1.999 -2.707) 3.831 22.425 ( 0.975 -0.191 2.784) 2.956 22.480 ( 1.228 -4.679 1.144) 4.971 22.621 ( 0.095 1.328 2.448) 2.787 22.653 ( 0.235 -1.442 1.970) 2.452 22.876 ( 0.235 5.365 -1.535) 5.586 22.968 ( 0.633 -3.099 1.209) 3.386 23.104 ( 2.041 0.849 4.270) 4.808 23.121 ( 1.623 -1.206 4.066) 4.541 23.250 ( 0.640 1.429 -0.621) 1.685 23.278 ( 0.129 -1.174 -0.668) 1.357 23.518 ( -0.904 6.435 -1.348) 6.636 23.589 ( 0.718 0.352 -2.201) 2.342 23.647 ( 2.220 -0.708 0.616) 2.410 23.715 ( 3.635 -4.877 -2.479) 6.569 23.834 ( 0.184 3.383 -1.650) 3.768 23.908 ( -0.742 -3.694 -3.543) 5.172 24.077 ( -1.393 1.023 -0.930) 1.963 24.087 ( -1.487 0.617 -0.037) 1.610 24.116 ( -0.872 0.952 -1.242) 1.791 24.168 ( -0.446 -2.483 -2.070) 3.264 24.214 ( -0.263 1.697 1.348) 2.183 24.248 ( 0.052 -1.204 0.338) 1.252 24.416 ( -3.524 1.170 -0.413) 3.736 24.455 ( -2.484 -1.967 -1.006) 3.324 24.616 ( 6.564 2.898 4.904) 8.691 24.699 ( 5.682 -4.602 2.177) 7.629 25.165 ( -0.522 3.429 2.678) 4.382 25.239 ( -1.400 -3.642 2.914) 4.870 25.446 ( -5.733 -0.318 -3.662) 6.810 25.450 ( -4.046 -0.761 -6.345) 7.564 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -3.755 16.900 7.975) 19.061 1.176 ( -6.420 11.711 8.840) 16.016 1.427 ( -4.924 -3.986 0.747) 6.380 1.489 ( -10.091 -4.224 0.191) 10.941 1.527 ( -7.012 3.772 -5.938) 9.932 1.679 ( 2.087 -9.540 -2.168) 10.003 1.857 ( 0.302 0.538 -1.140) 1.296 1.867 ( 2.630 1.651 -4.707) 5.639 1.922 ( 4.429 -4.220 -3.662) 7.130 1.980 ( 5.219 -6.294 -6.826) 10.651 2.156 ( -3.240 2.632 -0.509) 4.205 2.222 ( -3.190 -4.114 2.515) 5.781 2.290 ( -0.591 8.109 8.463) 11.736 2.330 ( -2.248 3.167 -2.477) 4.606 2.347 ( -1.146 3.120 2.503) 4.161 2.467 ( 0.298 -4.118 1.021) 4.253 2.582 ( 0.598 8.087 4.117) 9.094 2.655 ( 1.916 -0.263 -2.556) 3.206 2.695 ( -1.594 6.593 3.155) 7.481 2.755 ( 1.997 0.827 3.699) 4.284 2.792 ( -2.319 2.042 2.796) 4.167 2.904 ( 0.254 0.012 -4.668) 4.675 2.967 ( 4.632 0.986 0.826) 4.807 3.030 ( -5.319 -2.882 5.479) 8.162 3.047 ( 0.020 3.639 0.988) 3.771 3.071 ( 1.077 -0.955 1.267) 1.918 3.161 ( -2.653 0.911 3.260) 4.301 3.238 ( -2.315 -1.297 5.550) 6.152 3.259 ( -6.342 -8.119 1.484) 10.409 3.370 ( 5.344 -6.896 3.913) 9.562 3.430 ( -1.380 -1.829 1.177) 2.576 3.498 ( 0.087 -4.142 1.489) 4.402 3.666 ( -1.670 6.815 5.075) 8.660 3.771 ( -2.726 -1.251 0.617) 3.062 3.900 ( 2.377 2.760 1.104) 3.806 3.967 ( 4.149 -2.137 3.551) 5.864 4.024 ( 3.337 2.837 2.904) 5.256 4.061 ( 4.426 1.212 2.794) 5.372 4.117 ( 4.075 3.122 -3.073) 5.983 4.213 ( 2.955 5.461 -2.127) 6.563 4.242 ( 1.338 -5.260 -1.522) 5.637 4.328 ( -1.456 2.850 -4.532) 5.548 4.396 ( -2.695 1.245 0.858) 3.090 4.458 ( -2.292 -3.836 1.318) 4.659 4.492 ( -3.398 7.449 -0.612) 8.210 4.572 ( 0.434 1.503 -2.564) 3.004 4.652 ( -0.687 -0.206 0.690) 0.996 4.686 ( 4.838 -5.409 1.777) 7.472 4.767 ( 3.117 1.410 0.064) 3.422 4.849 ( -0.271 -4.179 -2.120) 4.694 4.884 ( 7.847 0.973 -3.363) 8.593 4.944 ( 9.029 -2.881 -3.199) 10.003 5.090 ( -0.219 2.975 -1.163) 3.201 5.173 ( -4.801 -5.247 -3.680) 8.008 5.290 ( -0.898 2.874 -1.289) 3.275 5.363 ( -1.736 -2.001 -2.188) 3.436 5.465 ( -2.411 -0.606 -0.063) 2.487 5.502 ( -2.970 -2.588 -0.424) 3.962 5.701 ( -4.334 1.691 1.221) 4.809 5.734 ( -3.464 -0.704 -1.632) 3.893 5.971 ( 4.356 2.451 -0.651) 5.041 6.027 ( 5.152 -2.587 -2.041) 6.116 6.066 ( -1.954 0.826 2.501) 3.280 6.117 ( -5.584 -4.245 -0.010) 7.015 6.541 ( -1.528 3.710 -0.087) 4.013 6.606 ( 0.991 -0.924 -1.483) 2.009 6.685 ( -0.892 4.881 -2.612) 5.607 6.774 ( 2.278 -1.402 -4.151) 4.938 6.997 ( 1.756 2.226 -0.441) 2.869 7.071 ( 0.277 -4.622 1.460) 4.855 7.193 ( -1.636 0.737 -3.171) 3.643 7.229 ( -1.938 -2.781 -1.374) 3.658 7.864 ( -0.779 2.030 -1.370) 2.569 7.900 ( 0.129 -0.320 -1.543) 1.581 7.966 ( -1.679 1.411 -1.430) 2.618 8.030 ( -0.245 -3.034 -2.995) 4.270 8.259 ( -2.010 0.926 1.248) 2.540 8.273 ( -2.031 0.108 0.983) 2.259 8.429 ( 0.180 0.730 2.435) 2.548 8.526 ( 0.691 -6.879 -1.222) 7.021 9.111 ( 1.536 2.881 0.201) 3.271 9.173 ( 1.450 -2.751 -1.110) 3.302 9.318 ( 0.308 1.895 -1.672) 2.545 9.354 ( -0.669 -1.352 -0.975) 1.796 9.450 ( -1.745 1.133 0.281) 2.100 9.461 ( -0.933 0.081 0.074) 0.940 9.592 ( 1.056 1.555 1.951) 2.709 9.624 ( 3.034 -1.076 0.526) 3.262 9.869 ( 0.920 0.312 4.243) 4.353 9.872 ( 0.338 -0.082 4.320) 4.334 10.166 ( 0.044 1.026 -2.109) 2.346 10.201 ( -0.154 -2.264 -1.599) 2.776 11.993 ( -0.717 1.956 -2.640) 3.363 12.017 ( -0.414 -0.423 -2.515) 2.583 12.098 ( 1.567 2.053 -0.784) 2.699 12.131 ( 1.107 -1.009 -0.538) 1.591 12.188 ( 1.924 3.321 2.006) 4.330 12.264 ( 1.151 -3.461 1.862) 4.095 12.417 ( 0.786 0.125 -0.174) 0.815 12.426 ( 1.796 -0.843 -1.597) 2.547 13.176 ( 1.571 0.062 2.413) 2.880 13.202 ( 2.379 -2.027 1.172) 3.338 13.282 ( -2.070 1.609 -0.028) 2.622 13.320 ( -0.411 -0.839 -0.109) 0.941 13.339 ( -3.842 -0.130 1.662) 4.188 13.379 ( -2.649 -2.524 2.113) 4.225 13.709 ( -0.960 3.617 0.249) 3.751 13.757 ( -0.602 -0.724 -1.114) 1.458 13.959 ( -0.475 0.736 -0.709) 1.127 13.985 ( -0.596 -1.600 -0.924) 1.941 14.093 ( -1.081 2.411 0.765) 2.750 14.142 ( -0.740 -2.790 0.896) 3.022 14.216 ( 1.174 0.754 2.246) 2.644 14.234 ( -0.249 -0.501 3.025) 3.076 14.443 ( -3.775 5.516 0.535) 6.705 14.569 ( -5.267 -6.443 0.701) 8.351 14.979 ( 1.767 2.354 0.829) 3.058 15.024 ( -0.207 -2.298 1.121) 2.565 15.395 ( -2.734 9.954 -0.429) 10.332 15.567 ( -1.153 -5.734 -4.308) 7.264 15.689 ( 1.838 0.236 -0.167) 1.860 15.694 ( 1.002 -0.282 0.699) 1.254 15.981 ( 3.083 3.111 -1.831) 4.747 16.051 ( 2.792 -3.433 -0.561) 4.461 22.295 ( 1.136 4.718 -1.395) 5.049 22.338 ( 2.018 2.044 -3.196) 4.297 22.457 ( 1.975 -0.698 2.177) 3.021 22.512 ( 1.655 -5.088 1.807) 5.647 22.640 ( 1.921 1.637 1.440) 2.906 22.669 ( 1.355 -0.821 0.731) 1.745 22.861 ( -1.684 5.084 -0.320) 5.365 22.962 ( -1.481 -3.815 2.466) 4.778 23.136 ( 0.213 0.402 3.141) 3.174 23.155 ( 1.065 -1.623 4.124) 4.558 23.269 ( 0.835 1.409 -1.565) 2.265 23.291 ( 1.415 -0.765 -1.348) 2.099 23.491 ( -1.296 5.519 -0.585) 5.699 23.598 ( 0.086 -3.803 -2.361) 4.477 23.689 ( 1.497 2.767 0.989) 3.298 23.781 ( 2.196 -4.151 -1.641) 4.975 23.847 ( 1.776 1.619 -1.191) 2.682 23.890 ( 0.268 -2.426 -2.599) 3.565 24.058 ( -0.705 0.235 0.269) 0.790 24.065 ( -0.151 -0.344 1.141) 1.201 24.100 ( -0.701 1.830 -1.946) 2.762 24.144 ( -1.724 -2.305 -1.808) 3.399 24.224 ( 0.425 1.576 1.159) 2.001 24.240 ( -0.786 0.059 -0.087) 0.794 24.345 ( -2.913 1.394 0.027) 3.229 24.404 ( -2.306 -3.980 0.020) 4.600 24.798 ( 10.607 1.716 2.902) 11.130 24.832 ( 7.227 -1.467 1.394) 7.505 25.143 ( -1.734 2.178 1.104) 2.995 25.190 ( -3.678 -2.374 1.280) 4.561 25.316 ( -6.348 0.713 -2.487) 6.854 25.334 ( -6.915 -1.107 -5.280) 8.770 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -9.769 0.000 16.823) 19.454 1.033 ( -2.998 0.000 22.497) 22.696 1.086 ( 8.205 0.000 -13.360) 15.678 1.420 ( 4.585 0.000 -0.189) 4.589 1.563 ( -3.234 0.000 4.412) 5.471 1.781 ( 0.553 0.000 -8.626) 8.644 1.894 ( 1.963 0.000 7.732) 7.977 1.931 ( -1.229 0.000 1.828) 2.202 2.098 ( -3.384 0.000 10.045) 10.599 2.126 ( 9.479 0.000 0.332) 9.485 2.147 ( -3.694 0.000 14.392) 14.859 2.278 ( 0.642 0.000 -2.850) 2.921 2.302 ( 0.761 0.000 -0.989) 1.248 2.317 ( 7.680 0.000 1.730) 7.872 2.366 ( -0.299 0.000 -2.652) 2.669 2.437 ( -2.049 0.000 -3.472) 4.031 2.600 ( -1.833 0.000 -1.178) 2.179 2.636 ( -4.689 0.000 -0.749) 4.748 2.687 ( -6.316 0.000 3.725) 7.333 2.741 ( -0.964 0.000 2.040) 2.256 2.749 ( -2.885 0.000 -1.048) 3.069 2.788 ( 1.409 0.000 -3.963) 4.206 2.788 ( 3.002 0.000 -1.488) 3.351 2.942 ( 5.466 0.000 -20.739) 21.447 3.101 ( -8.279 0.000 -0.462) 8.292 3.101 ( 4.423 0.000 2.009) 4.858 3.229 ( -4.468 0.000 3.546) 5.704 3.298 ( 2.542 0.000 -2.955) 3.898 3.368 ( -0.307 0.000 7.412) 7.418 3.421 ( 5.288 0.000 0.385) 5.302 3.424 ( -6.747 0.000 -0.954) 6.814 3.501 ( 2.492 0.000 7.036) 7.464 3.604 ( -1.726 0.000 -8.742) 8.910 3.663 ( -0.514 0.000 -2.371) 2.426 3.797 ( -1.136 0.000 6.799) 6.894 3.854 ( 7.439 0.000 -2.983) 8.015 4.016 ( 1.656 0.000 7.606) 7.785 4.064 ( -3.546 0.000 -1.349) 3.794 4.207 ( 3.541 0.000 3.672) 5.101 4.236 ( -5.435 0.000 0.980) 5.523 4.288 ( -2.420 0.000 -3.810) 4.513 4.289 ( 5.752 0.000 -4.160) 7.099 4.408 ( -0.307 0.000 9.782) 9.787 4.410 ( 1.184 0.000 3.779) 3.960 4.454 ( -0.290 0.000 -2.015) 2.036 4.501 ( -2.879 0.000 5.894) 6.560 4.608 ( -0.347 0.000 -7.796) 7.803 4.700 ( 2.882 0.000 -11.297) 11.658 4.848 ( 0.483 0.000 -0.254) 0.546 4.882 ( 0.062 0.000 -2.140) 2.141 5.005 ( -2.239 0.000 -0.504) 2.295 5.014 ( 2.457 0.000 -0.992) 2.650 5.224 ( 0.188 0.000 -0.230) 0.297 5.236 ( 2.178 0.000 -1.353) 2.564 5.279 ( -1.904 0.000 5.322) 5.652 5.381 ( -2.015 0.000 -3.247) 3.822 5.462 ( -4.297 0.000 -0.525) 4.329 5.472 ( 6.054 0.000 -1.840) 6.327 5.632 ( -9.617 0.000 0.107) 9.618 5.651 ( 5.313 0.000 -2.358) 5.813 5.963 ( -2.545 0.000 2.909) 3.865 6.055 ( 4.213 0.000 -5.466) 6.901 6.156 ( -0.947 0.000 2.684) 2.846 6.174 ( 1.266 0.000 2.056) 2.415 6.471 ( 2.318 0.000 1.573) 2.802 6.502 ( 0.377 0.000 -0.132) 0.400 6.662 ( 3.065 0.000 0.883) 3.190 6.708 ( -2.499 0.000 -3.025) 3.924 6.910 ( 0.489 0.000 4.525) 4.551 7.022 ( -0.482 0.000 -5.607) 5.627 7.282 ( -1.276 0.000 4.051) 4.247 7.348 ( -0.145 0.000 -1.583) 1.590 7.829 ( 2.173 0.000 -0.644) 2.266 7.830 ( -1.360 0.000 -0.590) 1.482 7.925 ( -1.156 0.000 -0.816) 1.415 7.969 ( 1.738 0.000 -4.473) 4.799 8.213 ( 1.812 0.000 2.159) 2.818 8.248 ( -3.681 0.000 -0.802) 3.767 8.664 ( -2.077 0.000 4.357) 4.827 8.730 ( 1.393 0.000 -1.793) 2.270 9.079 ( 2.004 0.000 0.479) 2.061 9.098 ( -1.141 0.000 -1.620) 1.982 9.306 ( 1.286 0.000 -0.002) 1.286 9.318 ( -1.370 0.000 -1.040) 1.720 9.391 ( -1.507 0.000 1.396) 2.054 9.418 ( -0.004 0.000 -1.051) 1.051 9.601 ( -1.970 0.000 2.004) 2.810 9.641 ( 3.547 0.000 -1.638) 3.907 9.947 ( 0.548 0.000 4.876) 4.906 10.061 ( -1.604 0.000 -5.438) 5.670 10.061 ( 0.400 0.000 7.423) 7.433 10.193 ( -0.522 0.000 -4.640) 4.669 11.885 ( -0.268 0.000 1.954) 1.972 11.940 ( 0.276 0.000 -3.011) 3.024 12.084 ( 2.500 0.000 1.030) 2.704 12.115 ( -3.154 0.000 -1.828) 3.645 12.226 ( 3.157 0.000 3.062) 4.398 12.293 ( -2.905 0.000 -2.941) 4.134 12.422 ( -3.938 0.000 0.325) 3.952 12.425 ( 2.219 0.000 -0.103) 2.221 13.216 ( -0.576 0.000 0.006) 0.576 13.217 ( 0.248 0.000 -0.047) 0.252 13.365 ( -4.200 0.000 3.304) 5.344 13.384 ( -1.793 0.000 1.263) 2.194 13.407 ( 3.269 0.000 -0.595) 3.323 13.439 ( 6.087 0.000 -3.068) 6.816 13.631 ( -1.973 0.000 3.471) 3.992 13.698 ( 1.543 0.000 -2.555) 2.984 13.921 ( 1.567 0.000 0.622) 1.686 13.945 ( -1.113 0.000 -1.524) 1.887 14.137 ( 1.739 0.000 1.253) 2.143 14.150 ( -2.964 0.000 0.171) 2.969 14.273 ( -3.079 0.000 2.282) 3.833 14.318 ( 4.068 0.000 -1.746) 4.426 14.609 ( 1.674 0.000 1.696) 2.384 14.622 ( -8.006 0.000 0.631) 8.031 14.954 ( 4.173 0.000 0.757) 4.241 14.984 ( -2.644 0.000 -1.760) 3.177 15.152 ( 8.007 0.000 2.425) 8.367 15.229 ( -2.787 0.000 -4.457) 5.257 15.713 ( -1.135 0.000 1.507) 1.887 15.723 ( 1.719 0.000 0.495) 1.789 16.029 ( 2.828 0.000 2.201) 3.584 16.093 ( -3.621 0.000 -3.482) 5.023 22.137 ( 0.206 0.000 -0.312) 0.374 22.142 ( -0.183 0.000 -0.841) 0.861 22.572 ( 2.196 0.000 -0.029) 2.197 22.580 ( -1.695 0.000 -0.690) 1.830 22.637 ( -1.463 0.000 3.393) 3.695 22.718 ( 2.587 0.000 -3.780) 4.581 22.877 ( 5.507 0.000 4.606) 7.180 22.958 ( -10.078 0.000 -2.420) 10.365 23.063 ( -1.235 0.000 5.285) 5.428 23.167 ( 1.609 0.000 -4.065) 4.372 23.354 ( -1.778 0.000 0.072) 1.780 23.357 ( 1.571 0.000 -0.206) 1.585 23.396 ( 4.569 0.000 7.387) 8.686 23.572 ( -4.297 0.000 -8.038) 9.114 23.773 ( -1.321 0.000 1.379) 1.909 23.816 ( 1.928 0.000 -2.270) 2.978 23.837 ( -12.816 0.000 6.069) 14.180 23.952 ( 8.391 0.000 -3.436) 9.068 24.012 ( 2.594 0.000 0.772) 2.707 24.032 ( -2.303 0.000 -1.034) 2.524 24.079 ( 1.943 0.000 0.840) 2.117 24.111 ( -3.118 0.000 -2.413) 3.943 24.245 ( -1.157 0.000 0.666) 1.335 24.252 ( 0.533 0.000 -0.305) 0.614 24.412 ( 3.415 0.000 2.079) 3.998 24.460 ( -1.003 0.000 -2.114) 2.340 24.945 ( 2.504 0.000 3.024) 3.926 25.001 ( -5.584 0.000 -1.774) 5.859 25.062 ( -1.025 0.000 0.270) 1.059 25.080 ( 1.042 0.000 -1.744) 2.032 25.206 ( -4.952 0.000 0.705) 5.002 25.233 ( 10.542 0.000 -1.608) 10.664 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 11.200 0.000 13.372) 17.443 1.032 ( 3.126 0.000 17.267) 17.548 1.352 ( 15.119 0.000 -8.270) 17.233 1.531 ( 5.394 0.000 -9.979) 11.343 1.652 ( 8.993 0.000 8.406) 12.310 1.809 ( 1.391 0.000 0.164) 1.401 1.919 ( 0.088 0.000 -2.550) 2.551 1.933 ( -1.884 0.000 0.490) 1.947 2.035 ( 2.872 0.000 5.925) 6.584 2.110 ( -1.124 0.000 11.054) 11.111 2.190 ( -2.746 0.000 -3.020) 4.081 2.254 ( -4.040 0.000 -9.917) 10.709 2.303 ( 0.437 0.000 -1.671) 1.728 2.345 ( -1.995 0.000 -0.227) 2.008 2.376 ( -2.251 0.000 2.291) 3.212 2.435 ( 4.773 0.000 -1.418) 4.979 2.504 ( -6.088 0.000 5.445) 8.168 2.546 ( -8.142 0.000 7.274) 10.918 2.610 ( -3.065 0.000 -0.044) 3.065 2.652 ( -5.057 0.000 -1.364) 5.238 2.727 ( 1.305 0.000 4.156) 4.356 2.770 ( -5.800 0.000 1.570) 6.008 2.797 ( -1.877 0.000 -1.184) 2.219 2.935 ( -0.540 0.000 -11.744) 11.756 3.109 ( 7.331 0.000 -9.733) 12.185 3.125 ( 1.114 0.000 7.393) 7.477 3.220 ( 0.625 0.000 4.922) 4.962 3.283 ( -5.193 0.000 -3.793) 6.431 3.343 ( -1.099 0.000 7.245) 7.328 3.401 ( 5.837 0.000 -3.168) 6.641 3.433 ( -1.725 0.000 4.669) 4.977 3.560 ( 1.244 0.000 -8.852) 8.939 3.649 ( 8.827 0.000 3.725) 9.581 3.734 ( 4.569 0.000 1.531) 4.819 3.776 ( -2.767 0.000 0.113) 2.769 3.952 ( 0.288 0.000 -4.170) 4.180 4.017 ( -0.844 0.000 -6.632) 6.686 4.026 ( -0.636 0.000 7.211) 7.239 4.127 ( -1.334 0.000 -0.744) 1.528 4.253 ( 1.437 0.000 4.420) 4.648 4.273 ( 0.466 0.000 -1.902) 1.958 4.350 ( -3.552 0.000 5.120) 6.231 4.408 ( 2.277 0.000 1.449) 2.699 4.413 ( -3.073 0.000 1.791) 3.557 4.466 ( 0.007 0.000 4.275) 4.275 4.486 ( 1.646 0.000 3.097) 3.507 4.604 ( 0.779 0.000 -7.252) 7.293 4.671 ( -2.706 0.000 -8.185) 8.621 4.864 ( -0.985 0.000 1.261) 1.600 4.907 ( 2.197 0.000 -3.702) 4.305 4.943 ( -3.272 0.000 -0.348) 3.291 5.051 ( 1.701 0.000 0.585) 1.799 5.146 ( -10.719 0.000 7.629) 13.157 5.203 ( -2.846 0.000 0.420) 2.877 5.295 ( 3.422 0.000 1.403) 3.698 5.371 ( -4.842 0.000 0.129) 4.844 5.417 ( 6.875 0.000 -5.027) 8.517 5.516 ( -1.350 0.000 -1.369) 1.923 5.589 ( 5.818 0.000 -4.092) 7.113 5.705 ( 0.710 0.000 0.699) 0.996 5.907 ( -3.444 0.000 0.683) 3.511 6.105 ( 1.469 0.000 -4.895) 5.111 6.159 ( 0.150 0.000 2.071) 2.077 6.218 ( 2.763 0.000 2.402) 3.661 6.491 ( -1.531 0.000 1.142) 1.910 6.546 ( 1.243 0.000 -6.569) 6.685 6.657 ( 0.335 0.000 -4.947) 4.958 6.707 ( 1.323 0.000 1.072) 1.702 6.935 ( 1.426 0.000 4.921) 5.124 7.032 ( 1.679 0.000 -5.563) 5.811 7.252 ( -1.909 0.000 4.039) 4.468 7.328 ( -1.504 0.000 -0.186) 1.516 7.800 ( -1.317 0.000 -0.689) 1.487 7.862 ( 1.021 0.000 -1.030) 1.450 7.921 ( 0.900 0.000 -1.891) 2.094 7.998 ( 1.313 0.000 -4.171) 4.373 8.209 ( 0.223 0.000 0.193) 0.295 8.253 ( 1.607 0.000 3.575) 3.920 8.628 ( -1.536 0.000 4.549) 4.801 8.746 ( 0.289 0.000 -1.417) 1.446 9.099 ( 1.361 0.000 -2.975) 3.271 9.129 ( 2.696 0.000 1.028) 2.886 9.292 ( -0.815 0.000 -0.124) 0.824 9.333 ( 1.210 0.000 0.019) 1.210 9.369 ( -0.943 0.000 1.505) 1.776 9.390 ( -2.675 0.000 0.525) 2.726 9.589 ( 0.822 0.000 -0.226) 0.853 9.698 ( 2.033 0.000 -2.098) 2.922 9.954 ( -0.150 0.000 5.838) 5.840 10.030 ( -0.936 0.000 -4.614) 4.708 10.065 ( -0.608 0.000 7.319) 7.344 10.177 ( -0.579 0.000 -4.583) 4.619 11.881 ( -0.211 0.000 1.849) 1.861 11.940 ( 0.024 0.000 -2.876) 2.876 12.065 ( -1.527 0.000 -1.064) 1.861 12.140 ( 2.587 0.000 1.301) 2.896 12.231 ( -2.977 0.000 -2.973) 4.208 12.283 ( 2.267 0.000 2.990) 3.752 12.334 ( -4.625 0.000 2.818) 5.416 12.456 ( 0.945 0.000 0.511) 1.074 13.208 ( -0.420 0.000 0.230) 0.479 13.230 ( 0.816 0.000 0.230) 0.847 13.304 ( -1.961 0.000 0.755) 2.101 13.338 ( -2.025 0.000 0.432) 2.070 13.482 ( 4.218 0.000 -0.563) 4.256 13.568 ( 6.112 0.000 -4.441) 7.555 13.603 ( -0.942 0.000 3.803) 3.918 13.723 ( 0.866 0.000 -2.313) 2.470 13.936 ( 0.370 0.000 -1.827) 1.864 13.962 ( 2.179 0.000 0.616) 2.264 14.103 ( -1.401 0.000 0.475) 1.479 14.164 ( 0.714 0.000 2.015) 2.138 14.219 ( -2.373 0.000 1.152) 2.638 14.377 ( -2.333 0.000 1.977) 3.058 14.463 ( -2.373 0.000 -3.963) 4.619 14.568 ( -3.363 0.000 8.057) 8.731 14.924 ( -2.905 0.000 -2.236) 3.666 15.032 ( 1.729 0.000 1.062) 2.029 15.216 ( 2.471 0.000 -3.238) 4.073 15.413 ( 13.979 0.000 -5.122) 14.888 15.707 ( 0.433 0.000 0.005) 0.433 15.766 ( 2.864 0.000 0.164) 2.869 15.985 ( -6.756 0.000 -3.359) 7.545 16.050 ( -0.998 0.000 3.352) 3.497 22.132 ( -0.646 0.000 -0.618) 0.894 22.138 ( -0.074 0.000 -0.364) 0.372 22.541 ( -2.004 0.000 -0.444) 2.052 22.607 ( 1.120 0.000 -1.063) 1.544 22.626 ( 0.054 0.000 2.040) 2.041 22.734 ( -6.044 0.000 2.384) 6.497 22.803 ( 0.870 0.000 -3.746) 3.846 22.962 ( 2.085 0.000 6.361) 6.694 23.054 ( -0.147 0.000 4.141) 4.144 23.195 ( 1.277 0.000 -2.507) 2.813 23.293 ( -3.557 0.000 0.043) 3.558 23.330 ( -4.349 0.000 1.427) 4.577 23.476 ( 2.488 0.000 7.860) 8.244 23.493 ( -2.359 0.000 -8.152) 8.486 23.653 ( -3.941 0.000 6.657) 7.736 23.738 ( -2.352 0.000 0.219) 2.362 23.855 ( 1.114 0.000 -2.541) 2.774 23.926 ( -6.421 0.000 -1.059) 6.508 24.021 ( -0.582 0.000 0.846) 1.027 24.071 ( 1.506 0.000 0.543) 1.600 24.123 ( 4.493 0.000 -3.405) 5.638 24.136 ( 2.583 0.000 2.180) 3.380 24.237 ( 0.506 0.000 1.597) 1.675 24.271 ( 0.942 0.000 -0.109) 0.948 24.378 ( -5.829 0.000 -3.301) 6.698 24.454 ( 1.321 0.000 -0.252) 1.345 24.888 ( -5.109 0.000 1.878) 5.443 24.913 ( -5.434 0.000 -0.530) 5.460 25.070 ( 2.538 0.000 2.744) 3.738 25.124 ( 4.257 0.000 -2.853) 5.124 25.222 ( 5.148 0.000 0.975) 5.239 25.458 ( 9.246 0.000 -6.924) 11.551 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 17.431 0.000 6.842) 18.725 1.171 ( 9.038 0.000 7.755) 11.909 1.557 ( 6.437 0.000 -2.366) 6.858 1.613 ( -0.451 0.000 -1.747) 1.804 1.705 ( 0.418 0.000 -0.270) 0.497 1.824 ( 0.837 0.000 1.878) 2.056 1.872 ( -7.194 0.000 3.201) 7.874 1.973 ( 6.305 0.000 -6.268) 8.891 2.033 ( -3.240 0.000 -3.100) 4.484 2.065 ( -11.194 0.000 3.028) 11.596 2.115 ( -3.258 0.000 -4.119) 5.252 2.175 ( -3.296 0.000 -9.304) 9.870 2.342 ( 0.617 0.000 -1.525) 1.645 2.345 ( -4.708 0.000 4.944) 6.827 2.375 ( 4.364 0.000 -0.374) 4.380 2.382 ( 4.092 0.000 -9.783) 10.605 2.455 ( 1.840 0.000 19.368) 19.455 2.498 ( -5.236 0.000 1.097) 5.350 2.513 ( -0.253 0.000 1.156) 1.183 2.597 ( 0.457 0.000 2.500) 2.541 2.669 ( -1.509 0.000 -2.480) 2.903 2.734 ( -0.614 0.000 1.616) 1.728 2.818 ( 3.579 0.000 3.903) 5.295 3.011 ( 7.219 0.000 -7.124) 10.142 3.125 ( -0.377 0.000 8.286) 8.294 3.205 ( -1.864 0.000 8.190) 8.400 3.208 ( 0.925 0.000 -2.696) 2.850 3.226 ( 0.763 0.000 -7.467) 7.506 3.359 ( -5.613 0.000 3.399) 6.562 3.460 ( 10.249 0.000 7.948) 12.970 3.484 ( 5.476 0.000 -12.263) 13.430 3.627 ( 0.310 0.000 -4.261) 4.273 3.653 ( -10.164 0.000 1.375) 10.256 3.782 ( 0.588 0.000 9.303) 9.322 3.808 ( 6.296 0.000 2.073) 6.628 3.907 ( -0.749 0.000 -12.007) 12.030 3.992 ( -4.069 0.000 5.267) 6.656 3.994 ( -0.911 0.000 -7.626) 7.680 4.201 ( -6.003 0.000 11.274) 12.772 4.208 ( 6.728 0.000 -2.440) 7.157 4.305 ( 2.721 0.000 -1.725) 3.222 4.308 ( -2.490 0.000 3.700) 4.460 4.343 ( -2.505 0.000 0.092) 2.506 4.371 ( -3.493 0.000 4.827) 5.958 4.462 ( -0.862 0.000 1.703) 1.909 4.545 ( 3.681 0.000 7.261) 8.141 4.610 ( -3.811 0.000 -5.503) 6.694 4.630 ( 2.325 0.000 -7.326) 7.686 4.742 ( -6.157 0.000 5.268) 8.103 4.930 ( -0.768 0.000 -3.200) 3.291 4.950 ( 1.149 0.000 3.377) 3.567 5.053 ( -0.198 0.000 3.726) 3.731 5.079 ( 0.571 0.000 0.996) 1.148 5.170 ( -0.296 0.000 -3.686) 3.698 5.281 ( -1.743 0.000 -1.309) 2.180 5.376 ( 3.337 0.000 2.395) 4.108 5.435 ( -1.964 0.000 -4.666) 5.062 5.552 ( 1.398 0.000 -3.306) 3.590 5.712 ( 0.391 0.000 0.876) 0.960 5.713 ( 4.726 0.000 -1.589) 4.986 5.862 ( 1.768 0.000 -2.008) 2.675 6.093 ( -4.318 0.000 1.256) 4.497 6.150 ( 0.331 0.000 -0.092) 0.343 6.271 ( 1.310 0.000 -1.364) 1.891 6.447 ( -3.008 0.000 3.659) 4.737 6.499 ( -1.391 0.000 -6.061) 6.219 6.707 ( 2.439 0.000 -8.868) 9.198 6.710 ( -1.174 0.000 0.839) 1.443 6.960 ( 0.520 0.000 5.476) 5.501 7.066 ( 1.816 0.000 -5.585) 5.872 7.227 ( -0.644 0.000 3.212) 3.275 7.301 ( -1.129 0.000 -0.739) 1.349 7.791 ( 0.486 0.000 0.155) 0.510 7.864 ( -0.716 0.000 -1.242) 1.434 7.953 ( 2.230 0.000 -3.011) 3.747 8.005 ( -0.384 0.000 -3.106) 3.130 8.245 ( 2.873 0.000 -0.356) 2.895 8.270 ( -0.205 0.000 3.889) 3.895 8.621 ( 0.556 0.000 4.277) 4.313 8.738 ( -0.957 0.000 -1.572) 1.840 9.142 ( 3.038 0.000 -3.594) 4.706 9.171 ( 1.006 0.000 1.929) 2.175 9.292 ( 0.550 0.000 1.648) 1.738 9.318 ( -2.615 0.000 2.524) 3.634 9.352 ( -0.776 0.000 -0.009) 0.776 9.365 ( 0.542 0.000 -2.418) 2.478 9.616 ( 1.511 0.000 0.340) 1.549 9.710 ( -0.633 0.000 -1.970) 2.069 9.949 ( -0.859 0.000 6.092) 6.153 10.021 ( 0.362 0.000 -4.495) 4.510 10.049 ( -1.272 0.000 7.235) 7.346 10.169 ( 0.190 0.000 -4.965) 4.969 11.881 ( 0.104 0.000 1.676) 1.680 11.937 ( -0.139 0.000 -2.653) 2.657 12.052 ( 0.016 0.000 -0.077) 0.078 12.147 ( -2.198 0.000 -2.101) 3.041 12.208 ( 1.216 0.000 -0.116) 1.222 12.249 ( -3.283 0.000 3.104) 4.518 12.335 ( 2.415 0.000 3.632) 4.361 12.461 ( -0.533 0.000 0.284) 0.604 13.198 ( -0.423 0.000 0.006) 0.423 13.234 ( -0.565 0.000 -0.481) 0.742 13.289 ( 0.071 0.000 -0.038) 0.081 13.315 ( -0.449 0.000 -0.600) 0.749 13.566 ( 4.168 0.000 -0.288) 4.178 13.603 ( 0.641 0.000 3.816) 3.870 13.636 ( 0.197 0.000 0.308) 0.365 13.731 ( 0.633 0.000 -4.244) 4.291 13.958 ( 1.987 0.000 -1.961) 2.792 13.983 ( -0.463 0.000 1.817) 1.875 14.110 ( 2.121 0.000 -1.131) 2.404 14.160 ( -1.375 0.000 2.488) 2.843 14.191 ( -0.403 0.000 -0.219) 0.458 14.256 ( -5.425 0.000 1.245) 5.566 14.517 ( -2.775 0.000 9.118) 9.531 14.531 ( 5.254 0.000 -6.153) 8.091 14.900 ( 1.148 0.000 -4.553) 4.695 14.985 ( -5.280 0.000 1.703) 5.548 15.333 ( 8.054 0.000 1.652) 8.222 15.587 ( 3.730 0.000 -2.228) 4.344 15.723 ( 1.029 0.000 -1.483) 1.805 15.830 ( -3.180 0.000 -6.140) 6.915 15.863 ( 1.846 0.000 0.175) 1.854 15.999 ( -4.207 0.000 3.729) 5.622 22.123 ( -0.222 0.000 -0.324) 0.392 22.134 ( -0.221 0.000 -0.545) 0.588 22.512 ( -0.684 0.000 -0.125) 0.695 22.577 ( -4.294 0.000 0.670) 4.346 22.638 ( 1.030 0.000 0.733) 1.264 22.650 ( -0.571 0.000 2.641) 2.702 22.878 ( 4.883 0.000 -5.113) 7.070 22.948 ( -3.724 0.000 5.903) 6.979 23.066 ( 1.195 0.000 3.610) 3.802 23.212 ( 0.293 0.000 -0.185) 0.346 23.232 ( -2.433 0.000 -0.423) 2.470 23.252 ( -2.543 0.000 2.225) 3.379 23.496 ( 3.099 0.000 -5.984) 6.739 23.498 ( -0.731 0.000 8.033) 8.067 23.626 ( -1.437 0.000 3.421) 3.710 23.685 ( -2.356 0.000 -2.837) 3.688 23.824 ( -3.797 0.000 0.165) 3.800 23.850 ( -1.052 0.000 -3.973) 4.110 24.016 ( 0.351 0.000 0.659) 0.747 24.077 ( -0.253 0.000 -1.285) 1.310 24.171 ( 1.213 0.000 1.799) 2.170 24.184 ( 1.753 0.000 -0.642) 1.867 24.250 ( -0.591 0.000 1.646) 1.749 24.276 ( -0.493 0.000 -0.165) 0.520 24.303 ( -0.062 0.000 0.546) 0.549 24.471 ( 0.236 0.000 -3.621) 3.629 24.805 ( -3.699 0.000 3.212) 4.899 24.824 ( -2.738 0.000 -2.547) 3.739 25.122 ( 2.008 0.000 4.356) 4.797 25.213 ( 4.405 0.000 -5.310) 6.900 25.338 ( 5.635 0.000 3.169) 6.465 25.556 ( 1.625 0.000 -6.497) 6.697 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -4.929 0.000 6.052) 7.805 1.319 ( 3.970 0.000 -1.316) 4.183 1.622 ( -9.302 0.000 7.721) 12.089 1.632 ( 9.972 0.000 5.543) 11.409 1.717 ( 3.385 0.000 2.806) 4.397 1.777 ( -10.637 0.000 2.081) 10.839 1.795 ( 4.543 0.000 -5.129) 6.852 1.910 ( 4.797 0.000 1.197) 4.944 1.956 ( -1.062 0.000 -2.103) 2.356 1.991 ( -5.574 0.000 -11.075) 12.398 2.064 ( 0.055 0.000 -2.302) 2.303 2.145 ( -1.507 0.000 -6.603) 6.773 2.231 ( -6.439 0.000 7.642) 9.993 2.360 ( -0.472 0.000 -3.153) 3.189 2.403 ( 1.122 0.000 3.906) 4.064 2.435 ( 0.140 0.000 -1.613) 1.620 2.449 ( 2.940 0.000 -1.994) 3.553 2.548 ( 1.114 0.000 4.630) 4.762 2.551 ( 3.900 0.000 -7.863) 8.777 2.659 ( 5.238 0.000 1.065) 5.346 2.681 ( -3.820 0.000 1.399) 4.068 2.700 ( 3.499 0.000 -5.143) 6.220 2.950 ( 8.506 0.000 6.956) 10.989 3.110 ( -13.175 0.000 3.530) 13.640 3.139 ( 0.060 0.000 -3.332) 3.332 3.178 ( 2.810 0.000 -8.170) 8.639 3.178 ( -1.589 0.000 8.371) 8.520 3.293 ( 5.271 0.000 -3.020) 6.075 3.300 ( 9.338 0.000 9.791) 13.530 3.410 ( -12.463 0.000 6.517) 14.064 3.501 ( -8.144 0.000 -6.386) 10.349 3.597 ( 5.343 0.000 -8.775) 10.273 3.648 ( 6.080 0.000 8.466) 10.423 3.786 ( -3.412 0.000 4.119) 5.349 3.869 ( -2.441 0.000 4.230) 4.884 3.891 ( -1.895 0.000 -9.304) 9.495 3.897 ( -2.277 0.000 4.600) 5.132 3.997 ( 3.292 0.000 -3.996) 5.178 4.141 ( -0.211 0.000 10.445) 10.447 4.215 ( -5.830 0.000 7.500) 9.500 4.316 ( 3.362 0.000 -4.395) 5.533 4.334 ( -1.867 0.000 3.280) 3.774 4.345 ( 3.126 0.000 0.505) 3.167 4.361 ( 1.908 0.000 -1.698) 2.554 4.465 ( 2.075 0.000 -1.300) 2.448 4.539 ( -2.598 0.000 5.444) 6.032 4.551 ( -2.275 0.000 -3.833) 4.457 4.673 ( 1.771 0.000 -4.944) 5.252 4.758 ( 6.055 0.000 5.959) 8.495 4.877 ( -3.087 0.000 -4.550) 5.499 4.967 ( -0.707 0.000 3.941) 4.004 5.069 ( -1.488 0.000 -0.916) 1.747 5.081 ( 3.157 0.000 2.628) 4.108 5.141 ( -0.576 0.000 -3.813) 3.856 5.335 ( 3.919 0.000 -3.108) 5.001 5.386 ( -2.515 0.000 -6.071) 6.571 5.448 ( 4.641 0.000 1.280) 4.814 5.526 ( -3.037 0.000 -4.766) 5.651 5.717 ( -0.237 0.000 1.366) 1.386 5.726 ( -0.690 0.000 1.428) 1.585 5.941 ( -10.092 0.000 3.721) 10.756 5.989 ( 6.821 0.000 -0.444) 6.836 6.182 ( 2.369 0.000 2.048) 3.131 6.248 ( -1.708 0.000 -5.626) 5.880 6.392 ( -2.390 0.000 4.696) 5.269 6.521 ( 2.238 0.000 -6.230) 6.620 6.670 ( -2.560 0.000 0.073) 2.561 6.731 ( 1.034 0.000 -5.671) 5.764 6.960 ( -0.837 0.000 5.750) 5.811 7.087 ( 0.710 0.000 -5.541) 5.586 7.236 ( 1.272 0.000 2.415) 2.730 7.286 ( -0.162 0.000 -2.187) 2.193 7.813 ( 1.471 0.000 0.887) 1.718 7.836 ( -1.927 0.000 -1.095) 2.217 7.982 ( -1.604 0.000 -2.481) 2.954 7.989 ( 1.346 0.000 -2.918) 3.213 8.253 ( -1.647 0.000 3.171) 3.573 8.301 ( 2.507 0.000 -0.947) 2.680 8.649 ( 1.739 0.000 3.883) 4.255 8.713 ( -1.267 0.000 -2.091) 2.445 9.151 ( -2.899 0.000 1.646) 3.333 9.199 ( 2.318 0.000 -2.774) 3.615 9.298 ( 0.307 0.000 2.346) 2.366 9.302 ( 0.233 0.000 3.022) 3.031 9.349 ( 0.874 0.000 -2.503) 2.651 9.369 ( 0.040 0.000 -2.862) 2.862 9.641 ( 0.948 0.000 2.022) 2.233 9.676 ( -2.567 0.000 -0.909) 2.724 9.931 ( -1.156 0.000 5.373) 5.496 10.034 ( -0.701 0.000 7.253) 7.286 10.037 ( 1.488 0.000 -4.221) 4.476 10.177 ( 0.871 0.000 -5.553) 5.620 11.886 ( 0.211 0.000 1.619) 1.633 11.932 ( -0.177 0.000 -2.523) 2.530 12.062 ( 1.003 0.000 1.131) 1.512 12.098 ( -2.215 0.000 -1.960) 2.958 12.210 ( -1.034 0.000 2.229) 2.457 12.242 ( 2.161 0.000 -0.637) 2.253 12.391 ( 3.031 0.000 3.523) 4.647 12.437 ( -1.774 0.000 -0.934) 2.005 13.201 ( 0.749 0.000 0.242) 0.787 13.214 ( -1.180 0.000 -1.102) 1.615 13.296 ( 0.510 0.000 0.058) 0.513 13.308 ( -0.370 0.000 -0.970) 1.038 13.592 ( -3.833 0.000 3.548) 5.224 13.605 ( -0.144 0.000 5.369) 5.371 13.647 ( 2.678 0.000 -0.589) 2.742 13.731 ( -0.718 0.000 -5.106) 5.156 13.960 ( -1.681 0.000 1.575) 2.304 14.001 ( 2.104 0.000 -2.022) 2.918 14.120 ( -2.427 0.000 2.134) 3.232 14.165 ( 3.309 0.000 -1.647) 3.696 14.194 ( -1.316 0.000 0.082) 1.319 14.201 ( 1.248 0.000 -0.424) 1.318 14.465 ( -3.090 0.000 7.302) 7.929 14.628 ( 5.059 0.000 -7.080) 8.702 14.876 ( -5.196 0.000 2.374) 5.712 14.957 ( 4.452 0.000 -5.039) 6.724 15.479 ( 5.583 0.000 5.403) 7.769 15.564 ( -5.979 0.000 -1.976) 6.298 15.723 ( -3.424 0.000 -1.324) 3.671 15.733 ( 0.012 0.000 -1.537) 1.537 15.911 ( -4.189 0.000 2.525) 4.891 15.974 ( 5.918 0.000 -2.748) 6.525 22.124 ( 0.331 0.000 -0.330) 0.467 22.129 ( -0.207 0.000 -0.696) 0.726 22.513 ( -1.991 0.000 1.579) 2.541 22.520 ( 1.551 0.000 0.275) 1.575 22.652 ( 0.298 0.000 0.014) 0.298 22.664 ( 1.602 0.000 -0.519) 1.684 22.855 ( -5.556 0.000 5.792) 8.026 22.964 ( 4.058 0.000 -3.298) 5.229 23.106 ( 2.647 0.000 3.158) 4.121 23.174 ( -2.160 0.000 -2.868) 3.590 23.232 ( 0.765 0.000 1.281) 1.492 23.246 ( 1.422 0.000 0.792) 1.628 23.460 ( -3.587 0.000 6.392) 7.330 23.579 ( -2.386 0.000 2.919) 3.770 23.584 ( 5.730 0.000 -4.461) 7.262 23.674 ( 1.696 0.000 -4.295) 4.618 23.770 ( -2.003 0.000 1.415) 2.452 23.843 ( 0.889 0.000 -4.988) 5.067 24.031 ( 0.922 0.000 0.901) 1.289 24.062 ( -1.191 0.000 -1.728) 2.099 24.189 ( 0.356 0.000 1.343) 1.389 24.207 ( 0.929 0.000 -0.604) 1.108 24.240 ( 0.249 0.000 0.831) 0.868 24.256 ( -1.311 0.000 -0.328) 1.351 24.340 ( 2.318 0.000 4.218) 4.813 24.446 ( -2.523 0.000 -5.324) 5.891 24.751 ( -1.945 0.000 3.964) 4.415 24.805 ( 0.629 0.000 -1.550) 1.673 25.145 ( 0.003 0.000 4.142) 4.142 25.270 ( 1.709 0.000 -7.623) 7.812 25.422 ( 2.300 0.000 4.642) 5.181 25.528 ( -3.805 0.000 -4.785) 6.113 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -9.941 0.000 14.080) 17.235 1.249 ( -10.432 0.000 -8.312) 13.338 1.388 ( -11.939 0.000 13.672) 18.151 1.686 ( 3.771 0.000 2.435) 4.489 1.702 ( -5.130 0.000 -12.315) 13.341 1.847 ( -0.660 0.000 2.869) 2.944 1.866 ( 5.382 0.000 1.401) 5.561 1.948 ( 0.450 0.000 -3.963) 3.988 1.973 ( -1.477 0.000 6.010) 6.189 2.024 ( -5.143 0.000 0.556) 5.173 2.080 ( 8.369 0.000 -1.793) 8.559 2.104 ( 6.895 0.000 -0.901) 6.954 2.233 ( 5.225 0.000 4.468) 6.875 2.275 ( -6.555 0.000 5.681) 8.674 2.399 ( -3.541 0.000 -1.108) 3.711 2.456 ( 4.554 0.000 -7.005) 8.356 2.527 ( 4.888 0.000 1.569) 5.134 2.549 ( -2.511 0.000 1.160) 2.766 2.619 ( 3.945 0.000 -6.811) 7.871 2.652 ( 0.208 0.000 4.377) 4.382 2.735 ( 1.875 0.000 0.187) 1.884 2.770 ( 3.453 0.000 -5.789) 6.740 2.805 ( -9.443 0.000 5.390) 10.873 3.027 ( -8.420 0.000 -12.636) 15.184 3.090 ( 1.052 0.000 6.689) 6.771 3.172 ( 2.260 0.000 -0.117) 2.263 3.239 ( 3.134 0.000 -1.125) 3.330 3.246 ( -3.399 0.000 8.310) 8.978 3.430 ( 7.247 0.000 -11.946) 13.972 3.430 ( 0.881 0.000 -3.569) 3.676 3.486 ( 3.556 0.000 8.583) 9.291 3.577 ( -8.434 0.000 -1.143) 8.511 3.667 ( -4.023 0.000 6.021) 7.241 3.708 ( -0.959 0.000 -3.965) 4.079 3.811 ( -1.062 0.000 11.058) 11.109 3.850 ( -2.511 0.000 -4.012) 4.732 3.897 ( 0.947 0.000 1.711) 1.955 4.073 ( 4.103 0.000 -1.707) 4.444 4.089 ( -3.915 0.000 8.560) 9.413 4.219 ( 2.741 0.000 3.213) 4.223 4.328 ( 2.699 0.000 3.963) 4.794 4.345 ( -1.462 0.000 -0.130) 1.468 4.369 ( 0.334 0.000 -2.131) 2.157 4.409 ( 2.241 0.000 1.278) 2.580 4.486 ( -1.728 0.000 2.867) 3.347 4.515 ( 2.256 0.000 -1.012) 2.473 4.553 ( 1.032 0.000 -3.891) 4.026 4.663 ( -2.354 0.000 -3.321) 4.071 4.850 ( 0.521 0.000 2.794) 2.842 4.861 ( 2.708 0.000 -5.902) 6.494 4.988 ( 5.457 0.000 6.270) 8.312 5.024 ( -3.637 0.000 -0.166) 3.640 5.135 ( 0.474 0.000 1.810) 1.871 5.179 ( 4.298 0.000 -6.820) 8.061 5.353 ( 0.695 0.000 -6.735) 6.771 5.365 ( -0.368 0.000 2.041) 2.074 5.458 ( -3.578 0.000 -4.750) 5.947 5.510 ( 0.044 0.000 -1.161) 1.162 5.666 ( -6.840 0.000 0.996) 6.912 5.719 ( 0.228 0.000 0.968) 0.995 5.831 ( 2.794 0.000 0.633) 2.865 6.039 ( -1.062 0.000 3.220) 3.391 6.213 ( -0.199 0.000 5.907) 5.911 6.247 ( 0.938 0.000 -7.005) 7.068 6.392 ( 2.620 0.000 2.801) 3.835 6.529 ( -1.163 0.000 -3.850) 4.022 6.625 ( -1.765 0.000 -0.923) 1.991 6.744 ( 0.342 0.000 -2.441) 2.465 6.939 ( -1.565 0.000 5.540) 5.757 7.083 ( -0.770 0.000 -5.685) 5.737 7.269 ( 1.619 0.000 2.249) 2.771 7.297 ( 1.477 0.000 -2.959) 3.307 7.799 ( -1.395 0.000 -0.683) 1.553 7.839 ( 0.921 0.000 0.984) 1.348 7.952 ( -0.991 0.000 -2.954) 3.116 7.992 ( -0.883 0.000 -1.776) 1.984 8.218 ( -1.860 0.000 2.008) 2.737 8.332 ( 0.631 0.000 -1.499) 1.626 8.682 ( 1.088 0.000 3.719) 3.875 8.695 ( -0.219 0.000 -2.615) 2.624 9.092 ( -2.648 0.000 1.113) 2.873 9.197 ( -2.165 0.000 -0.371) 2.197 9.301 ( -0.466 0.000 0.276) 0.541 9.322 ( 1.266 0.000 1.090) 1.670 9.377 ( 1.170 0.000 -1.550) 1.943 9.381 ( 2.403 0.000 -3.370) 4.139 9.619 ( -2.864 0.000 0.240) 2.874 9.653 ( -0.081 0.000 3.132) 3.133 9.920 ( -0.244 0.000 4.792) 4.798 10.033 ( 0.089 0.000 7.200) 7.201 10.067 ( 1.660 0.000 -4.483) 4.780 10.191 ( 0.878 0.000 -5.716) 5.783 11.889 ( -0.031 0.000 1.722) 1.722 11.929 ( 0.159 0.000 -2.697) 2.701 12.063 ( -1.203 0.000 -0.990) 1.558 12.094 ( 2.165 0.000 2.318) 3.172 12.202 ( -0.301 0.000 0.700) 0.762 12.293 ( 3.067 0.000 -0.937) 3.207 12.398 ( -1.885 0.000 -2.176) 2.879 12.450 ( 2.433 0.000 1.875) 3.072 13.200 ( 0.235 0.000 -0.490) 0.544 13.221 ( 0.975 0.000 0.677) 1.187 13.297 ( -0.551 0.000 -0.744) 0.926 13.308 ( 0.977 0.000 -0.106) 0.983 13.516 ( -3.884 0.000 3.436) 5.185 13.572 ( -3.887 0.000 5.131) 6.437 13.676 ( 0.317 0.000 1.476) 1.509 13.703 ( -1.399 0.000 -4.451) 4.666 13.926 ( -1.611 0.000 0.804) 1.801 14.013 ( -1.062 0.000 -0.862) 1.368 14.092 ( -0.164 0.000 0.478) 0.505 14.199 ( 1.731 0.000 -0.843) 1.925 14.208 ( 0.632 0.000 -1.801) 1.909 14.262 ( 5.682 0.000 1.958) 6.010 14.410 ( -2.828 0.000 4.009) 4.906 14.700 ( 2.017 0.000 -7.534) 7.799 14.825 ( 0.862 0.000 2.439) 2.586 15.035 ( 3.136 0.000 -3.150) 4.445 15.386 ( -10.996 0.000 -3.844) 11.648 15.492 ( -5.402 0.000 6.344) 8.332 15.692 ( -0.476 0.000 1.197) 1.288 15.742 ( 0.961 0.000 1.738) 1.986 15.877 ( 1.281 0.000 -0.918) 1.576 16.071 ( 4.117 0.000 -2.348) 4.740 22.127 ( 0.071 0.000 -0.673) 0.676 22.132 ( 0.480 0.000 -0.463) 0.667 22.501 ( 0.567 0.000 1.082) 1.222 22.566 ( 2.623 0.000 0.587) 2.688 22.661 ( 0.683 0.000 -1.422) 1.578 22.699 ( 2.205 0.000 -1.001) 2.422 22.756 ( -4.749 0.000 5.475) 7.248 23.027 ( 2.454 0.000 -0.400) 2.486 23.144 ( -0.581 0.000 -3.545) 3.592 23.169 ( 3.363 0.000 3.260) 4.683 23.266 ( -0.342 0.000 -2.418) 2.442 23.266 ( 2.984 0.000 0.422) 3.013 23.376 ( -4.670 0.000 4.640) 6.583 23.601 ( 4.953 0.000 3.834) 6.263 23.676 ( 2.257 0.000 -7.216) 7.561 23.712 ( 1.792 0.000 -3.773) 4.177 23.772 ( 3.069 0.000 3.037) 4.318 23.870 ( 2.177 0.000 -4.093) 4.636 24.037 ( -0.848 0.000 -1.242) 1.504 24.047 ( 0.560 0.000 1.130) 1.261 24.176 ( -2.111 0.000 0.141) 2.115 24.206 ( -1.379 0.000 -1.153) 1.797 24.254 ( 1.946 0.000 0.085) 1.948 24.258 ( 1.054 0.000 1.834) 2.115 24.373 ( -4.377 0.000 -4.772) 6.475 24.383 ( 1.842 0.000 4.282) 4.661 24.754 ( 2.675 0.000 4.237) 5.011 24.834 ( 2.171 0.000 -0.014) 2.171 25.128 ( -1.864 0.000 2.641) 3.232 25.259 ( -2.487 0.000 -8.856) 9.199 25.413 ( -7.388 0.000 -3.319) 8.099 25.426 ( -2.368 0.000 5.346) 5.847 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -7.782 0.000 18.409) 19.987 1.050 ( -6.280 0.000 -10.325) 12.085 1.181 ( -9.972 0.000 16.972) 19.685 1.513 ( -12.178 0.000 -8.519) 14.862 1.707 ( -10.310 0.000 3.326) 10.833 1.797 ( 1.386 0.000 -4.289) 4.507 1.897 ( -3.051 0.000 6.940) 7.581 1.909 ( 4.789 0.000 0.207) 4.793 1.976 ( 0.793 0.000 2.231) 2.368 2.030 ( 6.280 0.000 2.491) 6.756 2.169 ( 2.181 0.000 5.464) 5.883 2.214 ( -1.145 0.000 13.184) 13.234 2.238 ( 5.768 0.000 1.073) 5.867 2.349 ( 0.774 0.000 -4.885) 4.946 2.386 ( 7.023 0.000 2.453) 7.439 2.396 ( -8.947 0.000 0.860) 8.988 2.606 ( 1.991 0.000 2.056) 2.863 2.656 ( 8.076 0.000 1.460) 8.207 2.674 ( 2.406 0.000 -3.701) 4.414 2.701 ( 5.909 0.000 -4.998) 7.739 2.750 ( -1.384 0.000 0.644) 1.527 2.782 ( 2.236 0.000 -0.833) 2.386 2.799 ( -1.182 0.000 -3.360) 3.562 2.898 ( -0.844 0.000 -18.808) 18.827 3.039 ( -2.391 0.000 5.590) 6.079 3.252 ( -2.612 0.000 -5.337) 5.941 3.259 ( 3.675 0.000 5.227) 6.389 3.263 ( 4.678 0.000 -0.721) 4.734 3.334 ( -9.026 0.000 -4.015) 9.878 3.440 ( -6.307 0.000 3.388) 7.160 3.477 ( 1.160 0.000 0.329) 1.206 3.555 ( -6.060 0.000 8.105) 10.120 3.582 ( 4.276 0.000 -11.464) 12.236 3.706 ( 1.794 0.000 2.251) 2.878 3.780 ( -3.477 0.000 -6.448) 7.325 3.818 ( -0.574 0.000 11.129) 11.144 3.951 ( 3.706 0.000 6.319) 7.325 4.097 ( 4.557 0.000 3.316) 5.636 4.135 ( -0.120 0.000 -2.881) 2.883 4.241 ( 0.715 0.000 -1.240) 1.431 4.256 ( -2.962 0.000 2.162) 3.667 4.379 ( -2.543 0.000 -0.341) 2.566 4.401 ( 1.550 0.000 7.918) 8.068 4.414 ( -1.140 0.000 4.095) 4.251 4.469 ( -0.769 0.000 -1.409) 1.606 4.535 ( -0.590 0.000 3.161) 3.215 4.598 ( 5.228 0.000 -6.011) 7.966 4.620 ( -0.783 0.000 -7.943) 7.982 4.846 ( 0.072 0.000 0.255) 0.265 4.929 ( -4.558 0.000 -1.247) 4.725 4.945 ( 4.557 0.000 -2.421) 5.160 5.055 ( -2.318 0.000 -0.090) 2.319 5.178 ( 5.934 0.000 3.256) 6.769 5.235 ( 0.424 0.000 -0.556) 0.699 5.321 ( -3.405 0.000 4.833) 5.912 5.375 ( -1.168 0.000 -4.785) 4.925 5.406 ( 1.722 0.000 -3.432) 3.840 5.528 ( 2.314 0.000 -4.463) 5.028 5.554 ( -2.100 0.000 -0.946) 2.303 5.733 ( -0.079 0.000 -0.680) 0.684 5.948 ( 6.856 0.000 -3.690) 7.786 6.005 ( -2.084 0.000 3.595) 4.156 6.190 ( -2.140 0.000 5.231) 5.652 6.213 ( -4.016 0.000 -2.902) 4.954 6.467 ( 3.497 0.000 1.898) 3.979 6.484 ( -2.644 0.000 1.447) 3.014 6.613 ( 1.054 0.000 -1.087) 1.514 6.738 ( -0.714 0.000 -1.873) 2.005 6.914 ( -1.132 0.000 4.904) 5.033 7.052 ( -1.761 0.000 -5.735) 5.999 7.290 ( 0.266 0.000 3.035) 3.046 7.331 ( 1.834 0.000 -2.824) 3.367 7.794 ( 1.026 0.000 -0.447) 1.119 7.846 ( -0.241 0.000 0.386) 0.455 7.946 ( 0.673 0.000 -3.894) 3.952 7.959 ( -2.041 0.000 -0.790) 2.188 8.195 ( -0.276 0.000 1.309) 1.338 8.315 ( -2.365 0.000 -1.938) 3.058 8.689 ( -0.643 0.000 3.920) 3.972 8.703 ( 1.182 0.000 -2.463) 2.732 9.062 ( -0.390 0.000 0.721) 0.820 9.142 ( -2.949 0.000 -0.412) 2.978 9.292 ( 0.021 0.000 -0.395) 0.395 9.334 ( -0.110 0.000 -0.134) 0.173 9.403 ( 1.310 0.000 -1.320) 1.859 9.413 ( 0.136 0.000 -1.565) 1.571 9.591 ( 0.733 0.000 -0.248) 0.774 9.639 ( -1.603 0.000 3.225) 3.602 9.929 ( 0.748 0.000 4.527) 4.589 10.045 ( 0.544 0.000 7.316) 7.337 10.083 ( 0.051 0.000 -5.600) 5.600 10.199 ( 0.244 0.000 -5.174) 5.180 11.888 ( -0.182 0.000 1.884) 1.892 11.934 ( 0.447 0.000 -2.951) 2.985 12.054 ( 0.448 0.000 0.012) 0.449 12.144 ( 2.087 0.000 1.839) 2.782 12.187 ( -0.889 0.000 0.079) 0.893 12.336 ( -0.401 0.000 -1.530) 1.582 12.379 ( 1.516 0.000 -1.843) 2.386 12.470 ( -0.744 0.000 -0.589) 0.949 13.216 ( 0.468 0.000 -0.645) 0.797 13.228 ( -0.354 0.000 0.365) 0.509 13.313 ( 3.478 0.000 0.135) 3.481 13.342 ( 2.568 0.000 0.055) 2.569 13.452 ( -2.998 0.000 2.208) 3.723 13.472 ( -5.979 0.000 4.113) 7.257 13.665 ( -1.474 0.000 3.015) 3.356 13.684 ( -0.101 0.000 -3.405) 3.406 13.907 ( -0.222 0.000 0.688) 0.723 13.977 ( -2.009 0.000 -0.850) 2.181 14.105 ( 1.262 0.000 0.395) 1.322 14.198 ( -1.600 0.000 -0.830) 1.802 14.249 ( 3.191 0.000 -1.461) 3.510 14.329 ( -2.402 0.000 5.216) 5.742 14.452 ( 10.109 0.000 -1.566) 10.229 14.703 ( -0.918 0.000 -4.509) 4.601 14.885 ( 3.502 0.000 1.808) 3.941 15.052 ( -1.945 0.000 -1.022) 2.197 15.173 ( -8.747 0.000 -0.120) 8.748 15.341 ( -8.320 0.000 1.491) 8.453 15.697 ( 0.879 0.000 0.779) 1.175 15.739 ( -1.277 0.000 2.343) 2.668 15.948 ( 4.849 0.000 0.229) 4.854 16.121 ( 0.898 0.000 -2.785) 2.926 22.131 ( 0.332 0.000 -0.474) 0.579 22.140 ( 0.354 0.000 -0.659) 0.748 22.529 ( 2.021 0.000 0.599) 2.108 22.597 ( 0.224 0.000 -0.153) 0.271 22.679 ( -3.163 0.000 4.314) 5.350 22.680 ( 1.520 0.000 -2.716) 3.112 22.769 ( 4.815 0.000 1.542) 5.056 23.052 ( -0.042 0.000 0.518) 0.520 23.145 ( 0.851 0.000 -4.048) 4.136 23.156 ( -6.745 0.000 -0.341) 6.754 23.283 ( 4.413 0.000 2.376) 5.012 23.337 ( 3.277 0.000 0.320) 3.293 23.338 ( 0.705 0.000 3.802) 3.867 23.648 ( -2.812 0.000 -6.815) 7.372 23.731 ( 6.359 0.000 0.992) 6.436 23.770 ( 2.606 0.000 -2.526) 3.629 23.832 ( 3.162 0.000 -1.543) 3.518 23.929 ( 4.300 0.000 -1.569) 4.578 24.037 ( 0.610 0.000 -0.703) 0.931 24.043 ( -3.050 0.000 2.266) 3.800 24.092 ( -5.374 0.000 -0.548) 5.402 24.175 ( -1.918 0.000 -0.944) 2.138 24.266 ( -0.579 0.000 0.876) 1.050 24.281 ( -3.673 0.000 -2.973) 4.725 24.324 ( 4.535 0.000 1.491) 4.773 24.428 ( 2.773 0.000 2.386) 3.659 24.883 ( 10.322 0.000 2.536) 10.629 24.885 ( 2.932 0.000 1.545) 3.314 25.088 ( -1.996 0.000 0.768) 2.139 25.162 ( -6.599 0.000 -6.459) 9.233 25.256 ( -7.666 0.000 -1.786) 7.872 25.338 ( -6.693 0.000 4.308) 7.959 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -7.784 11.204 13.150) 18.948 1.116 ( -0.105 7.347 18.539) 19.942 1.156 ( 8.401 6.548 -12.553) 16.463 1.465 ( 3.246 2.445 -5.169) 6.575 1.546 ( -3.643 -1.780 3.844) 5.587 1.751 ( 2.817 -3.018 -8.300) 9.270 1.899 ( -1.597 -1.665 5.079) 5.578 1.960 ( 1.037 1.717 0.722) 2.132 2.058 ( 6.628 -5.452 2.060) 8.826 2.069 ( -2.263 -2.736 2.772) 4.504 2.152 ( -0.519 -3.545 5.535) 6.594 2.211 ( 2.061 -3.168 2.164) 4.355 2.250 ( -0.267 1.547 1.384) 2.093 2.353 ( 0.167 -0.663 1.415) 1.572 2.384 ( 2.163 2.445 4.446) 5.515 2.447 ( -1.151 0.627 -1.850) 2.267 2.592 ( -0.972 1.980 0.869) 2.371 2.639 ( -6.155 1.428 2.733) 6.884 2.700 ( 4.233 -4.179 -1.262) 6.081 2.714 ( -6.505 1.571 1.357) 6.828 2.771 ( 0.118 2.377 1.194) 2.662 2.792 ( -5.888 2.873 -2.048) 6.864 2.831 ( 1.525 2.090 -2.194) 3.392 2.977 ( 5.418 3.679 -13.097) 14.643 3.086 ( 0.349 -0.871 1.521) 1.788 3.130 ( -4.605 1.365 -2.021) 5.210 3.246 ( -0.313 0.854 1.830) 2.044 3.278 ( -1.401 -2.001 2.887) 3.782 3.388 ( 0.242 1.263 3.675) 3.893 3.413 ( 3.836 2.729 -1.567) 4.962 3.480 ( 1.914 2.867 2.618) 4.329 3.573 ( -0.669 4.721 -1.252) 4.929 3.693 ( -0.228 1.893 1.919) 2.705 3.730 ( -2.386 6.294 0.291) 6.737 3.790 ( -3.436 2.947 1.634) 4.812 3.902 ( 5.148 4.035 -1.306) 6.670 3.988 ( 0.469 -1.946 3.001) 3.607 4.092 ( -1.422 1.928 -1.438) 2.794 4.150 ( -1.495 -2.218 1.750) 3.197 4.217 ( 3.244 -1.143 -2.728) 4.390 4.252 ( 3.375 -3.152 -1.587) 4.883 4.312 ( -3.413 -2.871 -5.988) 7.467 4.355 ( -0.043 0.616 7.251) 7.278 4.427 ( -0.213 0.676 2.710) 2.802 4.478 ( -0.358 -1.814 5.100) 5.425 4.530 ( -1.977 5.600 4.618) 7.523 4.598 ( 2.152 -5.852 -6.836) 9.252 4.705 ( -0.081 4.063 -7.933) 8.913 4.870 ( 1.724 -1.181 -1.535) 2.593 4.879 ( -1.585 0.862 -1.502) 2.348 4.932 ( 0.869 -4.954 1.182) 5.167 4.983 ( -0.237 -1.545 -2.946) 3.335 5.128 ( -5.524 -6.997 1.348) 9.016 5.151 ( 4.377 -6.481 -0.319) 7.827 5.266 ( -2.136 -0.919 0.958) 2.515 5.306 ( 2.503 -2.340 -2.759) 4.399 5.481 ( 1.907 1.056 -0.707) 2.291 5.497 ( 0.135 -1.243 -2.070) 2.419 5.682 ( -4.099 2.773 2.215) 5.422 5.719 ( 0.749 3.919 -1.508) 4.265 5.925 ( -2.123 -2.331 2.920) 4.298 6.037 ( 2.867 -1.875 -6.083) 6.981 6.147 ( -0.171 -0.592 2.474) 2.550 6.169 ( 1.673 -0.459 1.118) 2.064 6.485 ( 1.599 1.836 2.290) 3.343 6.527 ( -0.202 2.457 -0.813) 2.596 6.661 ( 1.752 -0.533 0.823) 2.008 6.710 ( -1.523 -0.064 -3.569) 3.881 6.949 ( 0.658 3.195 2.671) 4.216 7.039 ( -0.489 1.601 -4.887) 5.166 7.232 ( -0.760 -4.553 3.329) 5.691 7.285 ( -0.381 -5.298 -1.193) 5.444 7.833 ( 1.067 0.680 -0.030) 1.266 7.848 ( -0.166 1.460 -1.312) 1.970 7.923 ( -1.064 -0.214 0.166) 1.098 7.977 ( 1.487 0.250 -4.408) 4.659 8.222 ( 1.207 0.981 1.341) 2.054 8.242 ( -2.803 -0.218 -0.118) 2.814 8.583 ( -1.388 -6.444 3.746) 7.581 8.643 ( 0.966 -6.907 -1.836) 7.212 9.100 ( 1.344 1.872 0.622) 2.387 9.125 ( -0.706 2.150 -2.000) 3.020 9.292 ( 0.272 -0.764 0.200) 0.836 9.309 ( -0.845 -0.967 -1.331) 1.850 9.420 ( -1.193 1.603 1.202) 2.332 9.444 ( 1.152 1.812 -1.095) 2.410 9.606 ( -2.707 1.045 2.977) 4.157 9.662 ( 3.347 1.340 -2.196) 4.222 9.960 ( 0.649 1.193 4.764) 4.954 10.040 ( 0.084 -1.333 5.149) 5.319 10.073 ( -0.994 0.664 -2.821) 3.064 10.174 ( -0.431 -1.717 -4.553) 4.885 11.910 ( -0.269 1.921 0.899) 2.138 11.951 ( 0.238 0.812 -2.707) 2.836 12.090 ( 1.999 0.792 0.654) 2.247 12.110 ( -2.248 -0.055 -1.237) 2.566 12.235 ( 2.645 0.687 2.576) 3.755 12.292 ( -2.404 -0.438 -2.448) 3.460 12.406 ( -1.821 -0.655 0.991) 2.175 12.427 ( 0.427 -0.340 -1.110) 1.237 13.224 ( -0.865 0.702 0.238) 1.139 13.227 ( 0.390 0.911 -0.065) 0.993 13.327 ( -4.158 -2.562 2.890) 5.675 13.365 ( 3.178 -2.726 -0.148) 4.189 13.384 ( 0.729 -1.395 0.436) 1.633 13.406 ( 2.478 -2.449 -1.051) 3.639 13.667 ( -1.017 2.815 2.409) 3.842 13.718 ( 1.290 1.614 -2.107) 2.950 13.939 ( 1.337 1.333 0.404) 1.931 13.958 ( -0.906 0.771 -1.245) 1.722 14.111 ( 1.063 -1.535 1.561) 2.433 14.133 ( -2.308 -1.471 -0.452) 2.774 14.287 ( -2.031 1.068 1.926) 2.996 14.321 ( 2.643 0.780 -1.269) 3.033 14.495 ( 3.972 -6.194 5.391) 9.122 14.564 ( -6.602 -5.023 -1.193) 8.381 15.001 ( -0.815 2.875 2.477) 3.881 15.066 ( 2.606 4.244 -3.108) 5.871 15.182 ( -1.055 4.516 5.471) 7.172 15.340 ( 2.582 6.998 -9.227) 11.865 15.721 ( -1.155 0.742 1.403) 1.963 15.729 ( 1.669 0.511 0.559) 1.833 16.008 ( 1.549 -1.643 2.230) 3.174 16.074 ( -2.350 -1.864 -3.469) 4.586 22.186 ( -0.248 4.317 -0.064) 4.324 22.205 ( 0.351 5.147 -1.907) 5.501 22.567 ( 1.550 -0.507 1.853) 2.469 22.598 ( -1.721 0.432 -0.791) 1.942 22.646 ( -1.096 1.704 1.682) 2.633 22.703 ( 3.068 -1.079 -2.891) 4.351 22.857 ( 4.531 -1.681 4.276) 6.453 22.945 ( -8.478 -1.688 -3.469) 9.314 23.088 ( -2.119 2.405 5.118) 6.039 23.184 ( 1.785 1.601 -3.693) 4.403 23.300 ( -1.811 -3.294 3.183) 4.926 23.340 ( 2.248 -1.751 -0.828) 2.967 23.457 ( 2.229 3.701 3.527) 5.577 23.559 ( -2.939 -0.777 -4.602) 5.515 23.762 ( -1.114 -0.993 1.255) 1.950 23.797 ( 2.764 -1.643 -0.626) 3.276 23.849 ( -8.984 1.443 2.239) 9.371 23.937 ( 5.238 -0.556 -4.003) 6.616 24.010 ( 1.496 -0.855 1.120) 2.055 24.034 ( -1.623 0.016 -1.031) 1.923 24.092 ( 0.966 0.975 0.880) 1.630 24.116 ( -0.884 0.308 -1.397) 1.682 24.233 ( 0.578 -1.271 1.445) 2.009 24.258 ( -0.464 0.016 -0.896) 1.009 24.355 ( 3.294 -3.067 2.713) 5.255 24.413 ( -2.721 -3.954 -2.744) 5.529 24.946 ( 0.603 -0.003 2.149) 2.232 24.979 ( -0.845 -1.272 -0.578) 1.632 25.078 ( 0.949 0.238 -0.791) 1.258 25.084 ( -3.294 0.549 -1.343) 3.600 25.220 ( -3.187 1.251 0.804) 3.517 25.247 ( 7.723 0.947 -1.625) 7.948 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 10.188 11.942 8.577) 17.888 1.175 ( 5.098 10.151 14.395) 18.337 1.389 ( 12.232 3.482 -8.667) 15.390 1.511 ( 2.737 -1.341 -10.848) 11.268 1.636 ( 9.141 -2.811 2.804) 9.966 1.812 ( 1.896 0.565 1.348) 2.394 1.890 ( -0.142 -2.653 -3.471) 4.371 1.937 ( -4.129 1.790 0.331) 4.513 2.014 ( 0.767 -3.774 -1.090) 4.003 2.110 ( -0.922 -2.293 1.263) 2.775 2.145 ( 2.053 0.185 6.971) 7.269 2.232 ( 0.512 -1.759 -8.922) 9.109 2.316 ( 2.265 0.115 -0.237) 2.280 2.354 ( -1.239 -6.953 1.800) 7.289 2.420 ( -2.481 4.335 1.611) 5.248 2.444 ( -0.025 2.212 6.435) 6.804 2.452 ( -3.646 2.992 0.098) 4.718 2.529 ( -5.470 1.348 7.259) 9.188 2.615 ( -5.523 -1.011 -3.015) 6.374 2.638 ( -4.953 0.277 0.802) 5.026 2.741 ( -5.297 1.129 4.360) 6.953 2.799 ( -1.221 1.097 2.042) 2.620 2.855 ( 6.199 3.874 2.807) 7.830 2.993 ( 1.467 -0.251 -6.831) 6.991 3.019 ( -1.983 0.244 0.312) 2.022 3.185 ( -3.252 0.731 1.376) 3.606 3.223 ( 5.182 2.293 -0.790) 5.721 3.309 ( -5.366 -3.423 4.673) 7.896 3.365 ( 4.436 3.881 -1.032) 5.984 3.419 ( -4.097 6.307 -0.332) 7.528 3.482 ( 4.599 2.625 -0.451) 5.315 3.647 ( 0.403 6.608 -8.948) 11.131 3.679 ( 2.231 2.016 6.574) 7.229 3.748 ( 1.212 -1.000 1.371) 2.085 3.779 ( 3.824 3.330 3.404) 6.107 3.946 ( -0.575 -0.567 1.496) 1.700 4.016 ( 1.312 1.291 -3.141) 3.640 4.022 ( -2.869 -3.850 -0.697) 4.852 4.129 ( -0.583 3.343 -1.297) 3.632 4.225 ( -0.266 -1.338 -0.698) 1.532 4.254 ( -0.710 -3.087 -1.278) 3.416 4.348 ( 1.358 -2.212 3.363) 4.248 4.390 ( 2.087 -1.198 1.244) 2.708 4.438 ( -1.256 1.628 6.343) 6.668 4.475 ( -1.908 3.656 2.724) 4.942 4.505 ( 2.444 -0.553 0.738) 2.613 4.608 ( -0.313 -5.277 -5.541) 7.658 4.667 ( -2.442 5.004 -4.023) 6.870 4.826 ( -4.776 -4.986 0.133) 6.905 4.880 ( -0.061 0.801 -1.083) 1.348 4.939 ( -0.293 -0.075 -1.456) 1.487 4.970 ( -6.032 -12.057 1.109) 13.527 4.994 ( -0.862 -4.495 2.328) 5.135 5.152 ( -2.687 -3.295 0.574) 4.290 5.305 ( 3.491 0.227 -2.819) 4.493 5.393 ( 3.455 1.845 -0.924) 4.024 5.502 ( 3.620 1.171 -2.829) 4.741 5.530 ( -1.717 0.001 -0.920) 1.948 5.588 ( 2.737 3.129 -1.117) 4.304 5.749 ( -0.248 2.040 0.938) 2.259 5.878 ( -2.585 -1.524 1.077) 3.189 6.072 ( 1.301 -3.298 -3.471) 4.961 6.160 ( 0.663 0.530 -0.572) 1.023 6.218 ( 2.458 -0.065 1.420) 2.840 6.502 ( -2.014 1.460 0.672) 2.577 6.551 ( 2.428 0.661 -4.130) 4.836 6.643 ( -1.559 -0.932 -2.463) 3.060 6.703 ( 0.558 -0.848 -0.346) 1.072 6.971 ( 1.017 2.874 3.129) 4.369 7.049 ( 1.536 1.523 -4.945) 5.398 7.213 ( -1.249 -3.615 3.442) 5.145 7.271 ( -0.697 -4.626 -0.436) 4.698 7.818 ( -0.895 1.732 -0.721) 2.078 7.874 ( 1.299 1.038 -1.273) 2.095 7.920 ( 0.892 -0.158 -0.995) 1.346 8.000 ( 1.040 -0.064 -4.055) 4.187 8.217 ( 0.590 0.839 0.632) 1.205 8.256 ( 1.619 0.482 2.663) 3.154 8.562 ( -0.907 -5.529 4.027) 6.900 8.659 ( 0.617 -7.107 -1.598) 7.311 9.111 ( 0.673 1.128 -1.490) 1.986 9.141 ( 1.420 1.081 -0.612) 1.887 9.277 ( -0.389 -1.186 0.359) 1.299 9.328 ( 1.248 1.185 0.242) 1.738 9.383 ( -2.636 0.257 0.499) 2.695 9.469 ( 0.755 4.523 -0.189) 4.590 9.565 ( -0.909 -1.014 1.545) 2.060 9.706 ( 1.045 0.022 -2.270) 2.499 9.969 ( -0.130 1.289 5.548) 5.697 10.033 ( -0.546 -0.008 -1.009) 1.148 10.057 ( -0.797 -0.205 3.433) 3.530 10.160 ( -0.492 -1.570 -4.610) 4.895 11.908 ( -0.013 2.059 0.898) 2.246 11.953 ( 0.157 0.965 -2.473) 2.659 12.065 ( -1.430 0.336 -0.637) 1.601 12.140 ( 1.856 -0.033 0.496) 1.921 12.240 ( -2.388 0.602 -2.366) 3.415 12.281 ( 1.732 -0.258 2.609) 3.142 12.336 ( -4.115 0.470 2.353) 4.764 12.445 ( 0.512 -1.138 -0.100) 1.252 13.208 ( -0.938 -0.444 0.511) 1.157 13.224 ( -1.329 -0.359 0.554) 1.483 13.281 ( -0.086 -1.499 0.767) 1.686 13.330 ( -1.483 -0.501 0.042) 1.566 13.461 ( 4.326 -1.882 -0.297) 4.727 13.511 ( 5.094 -3.750 -1.039) 6.410 13.655 ( -0.159 3.380 1.096) 3.556 13.737 ( 0.629 1.121 -2.147) 2.503 13.951 ( 0.320 0.868 -1.180) 1.499 13.976 ( 2.087 0.917 0.045) 2.280 14.100 ( -0.617 -0.046 0.051) 0.620 14.136 ( 0.808 -1.980 2.361) 3.186 14.239 ( -1.924 1.944 0.729) 2.831 14.358 ( -3.209 -0.878 1.979) 3.871 14.445 ( 0.520 -1.479 -3.988) 4.285 14.544 ( -0.244 -2.404 7.234) 7.627 14.956 ( -2.352 2.619 -1.130) 3.697 15.108 ( -4.010 4.156 1.256) 5.910 15.194 ( 7.690 1.604 -1.685) 8.034 15.488 ( 9.457 4.501 -5.688) 11.919 15.706 ( -0.233 -0.023 -0.175) 0.292 15.762 ( 1.899 -0.399 0.282) 1.961 15.954 ( -6.153 -2.127 -0.907) 6.573 16.040 ( -1.693 -1.345 0.973) 2.371 22.176 ( -0.746 4.024 -0.067) 4.093 22.199 ( -0.771 4.777 -1.674) 5.120 22.543 ( -2.348 0.219 0.134) 2.362 22.603 ( 0.273 -1.905 1.886) 2.694 22.642 ( 0.667 2.918 -1.284) 3.257 22.737 ( -4.004 0.246 0.592) 4.055 22.793 ( -0.500 -1.025 -2.669) 2.903 22.929 ( 1.594 -3.078 6.111) 7.026 23.072 ( -0.188 1.590 4.189) 4.485 23.216 ( 1.047 1.799 -1.732) 2.708 23.234 ( -3.304 -3.308 2.249) 5.188 23.355 ( -1.343 -0.046 -0.807) 1.567 23.486 ( -0.135 1.182 2.346) 2.630 23.523 ( -0.163 2.235 -2.554) 3.398 23.654 ( -5.782 0.894 2.247) 6.267 23.752 ( -1.674 1.350 0.925) 2.341 23.837 ( 0.862 -1.727 -1.654) 2.542 23.925 ( -6.057 -0.410 -0.709) 6.112 24.030 ( -0.208 0.736 0.736) 1.061 24.071 ( 4.577 -0.861 0.150) 4.660 24.102 ( 1.972 -0.425 -1.690) 2.632 24.143 ( 1.453 0.015 -0.177) 1.464 24.231 ( -0.356 -0.293 0.622) 0.774 24.278 ( 1.401 -1.061 -0.244) 1.775 24.338 ( -3.488 -1.678 -1.906) 4.314 24.414 ( 2.559 -3.286 1.187) 4.331 24.865 ( -5.899 -0.853 1.539) 6.155 24.913 ( -5.651 -0.781 -0.780) 5.758 25.073 ( 2.280 0.624 2.020) 3.109 25.160 ( 5.997 1.312 -0.473) 6.157 25.221 ( 3.104 1.088 -0.508) 3.328 25.431 ( 8.099 -2.443 -5.611) 10.151 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 14.687 7.904 3.890) 17.126 1.311 ( 6.821 10.723 7.491) 14.752 1.529 ( 3.632 -1.171 -4.172) 5.654 1.585 ( 4.938 -4.402 -10.527) 12.433 1.712 ( -4.073 -6.442 4.060) 8.635 1.792 ( -6.152 4.103 1.667) 7.581 1.830 ( -0.310 0.091 0.181) 0.370 1.962 ( 4.936 -1.099 -4.763) 6.946 1.996 ( -4.795 -0.539 0.637) 4.867 2.100 ( -2.487 0.447 0.786) 2.646 2.124 ( -3.655 -0.067 -0.847) 3.753 2.230 ( -0.840 1.805 -3.498) 4.025 2.300 ( -0.325 -1.256 -2.302) 2.642 2.341 ( 2.616 -1.928 -1.794) 3.712 2.390 ( -1.881 2.429 -3.609) 4.740 2.424 ( 2.879 2.414 -0.930) 3.871 2.466 ( -2.998 -0.180 4.832) 5.690 2.494 ( -0.017 0.256 0.406) 0.480 2.562 ( 5.091 1.558 1.045) 5.426 2.595 ( -1.619 -0.011 6.267) 6.473 2.681 ( -0.947 7.649 6.876) 10.329 2.777 ( -1.556 1.877 -0.592) 2.509 2.852 ( -0.604 2.246 1.747) 2.909 3.053 ( 4.699 2.205 -3.977) 6.539 3.098 ( -1.459 -2.686 5.824) 6.577 3.156 ( 0.907 -2.789 3.013) 4.205 3.176 ( 3.779 -4.544 4.076) 7.179 3.289 ( -0.399 4.337 5.453) 6.979 3.325 ( -5.795 2.646 -4.936) 8.058 3.491 ( 5.821 4.768 -2.358) 7.885 3.591 ( 1.347 6.914 -7.583) 10.349 3.624 ( 3.442 1.586 1.004) 3.921 3.731 ( -2.420 2.856 -0.720) 3.812 3.737 ( 0.398 -0.465 10.091) 10.110 3.845 ( 2.009 0.269 1.246) 2.380 3.935 ( -1.882 -3.281 -3.630) 5.243 3.973 ( 1.968 3.080 -4.049) 5.455 4.031 ( -4.194 1.971 2.532) 5.281 4.136 ( 1.724 -3.433 -3.527) 5.215 4.204 ( -2.079 -1.221 5.817) 6.297 4.233 ( -1.347 -3.445 0.601) 3.747 4.349 ( 0.355 2.831 1.231) 3.107 4.369 ( -2.701 0.379 1.058) 2.925 4.416 ( -1.339 2.406 3.429) 4.397 4.467 ( 0.400 -0.154 2.783) 2.816 4.538 ( 0.354 0.680 7.106) 7.148 4.592 ( -3.808 -0.686 -1.883) 4.303 4.641 ( 2.792 -1.380 -5.757) 6.545 4.700 ( -5.132 -2.569 2.122) 6.119 4.855 ( -1.068 -7.810 -1.471) 8.019 4.913 ( -1.950 -3.169 1.690) 4.087 4.961 ( 3.236 -4.395 -3.429) 6.445 4.989 ( -0.752 -6.196 0.013) 6.242 5.117 ( -1.534 -3.998 -1.727) 4.617 5.330 ( 0.584 4.123 0.987) 4.279 5.427 ( 2.576 3.190 0.482) 4.128 5.484 ( -1.928 2.309 -3.408) 4.546 5.607 ( 1.619 3.413 -3.522) 5.164 5.681 ( 4.819 -1.457 -0.880) 5.110 5.746 ( 0.686 0.784 0.220) 1.065 5.852 ( 2.072 0.523 -1.393) 2.551 6.071 ( -2.817 -1.458 0.561) 3.221 6.155 ( -0.246 0.111 -0.306) 0.408 6.261 ( 1.405 -1.238 -1.466) 2.378 6.453 ( -2.929 0.987 2.672) 4.086 6.516 ( -2.327 1.308 -4.812) 5.503 6.674 ( 2.336 -2.576 -5.869) 6.822 6.698 ( -1.079 -1.258 -0.348) 1.693 6.984 ( -0.013 2.127 4.640) 5.105 7.078 ( 1.559 1.150 -4.997) 5.360 7.198 ( -0.349 -2.740 2.861) 3.977 7.262 ( -0.256 -3.294 -1.296) 3.548 7.816 ( 0.678 2.382 0.049) 2.478 7.882 ( -0.450 1.512 -1.443) 2.138 7.950 ( 2.023 -0.208 -2.140) 2.952 8.007 ( -0.216 -0.058 -3.168) 3.175 8.253 ( 2.586 0.789 0.186) 2.710 8.277 ( 0.191 0.766 3.041) 3.142 8.561 ( 0.576 -5.181 4.023) 6.585 8.661 ( -0.338 -6.697 -1.665) 6.909 9.136 ( 1.582 -0.209 -0.537) 1.684 9.163 ( 1.075 -0.370 -1.258) 1.696 9.274 ( -0.522 -0.749 0.953) 1.319 9.323 ( -3.005 -0.517 -0.210) 3.057 9.356 ( 1.879 3.283 1.604) 4.109 9.465 ( -0.804 5.409 -0.394) 5.483 9.581 ( 1.849 -2.921 0.863) 3.563 9.699 ( -1.486 -1.354 -1.727) 2.651 9.962 ( -0.944 1.167 5.661) 5.857 10.030 ( 0.303 0.425 -0.960) 1.093 10.040 ( -1.063 -0.334 3.275) 3.460 10.153 ( 0.176 -1.494 -4.949) 5.172 11.911 ( 0.293 2.465 0.887) 2.636 11.954 ( 0.071 1.439 -2.192) 2.623 12.052 ( 0.013 0.102 0.062) 0.120 12.139 ( -1.889 -0.913 -1.170) 2.402 12.220 ( 0.581 1.007 -0.577) 1.298 12.257 ( -3.027 1.054 1.978) 3.766 12.325 ( 1.839 -1.015 3.569) 4.141 12.443 ( -0.654 -1.739 -0.389) 1.898 13.187 ( -0.965 -1.092 -0.053) 1.458 13.199 ( -0.962 -2.419 0.229) 2.613 13.296 ( 0.812 0.408 0.490) 1.032 13.321 ( 0.251 0.667 -0.762) 1.043 13.536 ( 3.108 -2.511 0.873) 4.090 13.571 ( 1.185 -3.298 1.472) 3.801 13.659 ( 0.239 2.810 0.440) 2.854 13.742 ( 0.215 0.892 -3.486) 3.605 13.969 ( 1.560 0.636 -0.686) 1.818 14.004 ( 0.386 1.226 0.284) 1.317 14.105 ( 1.123 -0.666 -0.645) 1.457 14.137 ( -1.103 -1.851 2.672) 3.432 14.227 ( 0.512 3.599 -0.291) 3.646 14.269 ( -3.287 1.949 1.020) 3.955 14.512 ( 2.068 -0.776 0.285) 2.227 14.531 ( 0.715 -0.489 2.129) 2.299 14.933 ( 0.607 2.764 -3.401) 4.424 15.017 ( -5.318 2.328 0.665) 5.843 15.357 ( 8.476 2.688 1.710) 9.055 15.615 ( 3.008 2.356 -1.028) 3.957 15.705 ( -0.379 -1.997 -1.431) 2.486 15.814 ( -2.440 -0.967 -5.735) 6.307 15.833 ( 1.136 -2.370 1.179) 2.880 15.980 ( -4.511 -1.998 2.532) 5.545 22.162 ( -0.519 3.528 -0.068) 3.567 22.181 ( -0.777 3.872 -1.168) 4.118 22.507 ( -1.172 -0.458 0.575) 1.384 22.569 ( -3.648 -1.538 0.373) 3.977 22.649 ( -0.125 1.878 1.946) 2.707 22.674 ( 0.316 2.166 0.351) 2.217 22.857 ( 4.134 -1.993 -3.807) 5.963 22.916 ( -2.809 -2.874 5.227) 6.594 23.086 ( 1.324 1.447 3.797) 4.274 23.190 ( -0.830 -2.173 2.462) 3.387 23.229 ( -0.140 1.717 -0.745) 1.877 23.300 ( -3.208 2.211 -0.773) 3.972 23.491 ( 0.320 0.113 4.096) 4.110 23.521 ( 1.025 2.080 -2.903) 3.715 23.603 ( -1.152 -1.412 0.185) 1.832 23.713 ( -3.289 1.770 -0.784) 3.816 23.801 ( -2.523 -1.674 -0.788) 3.128 23.858 ( -1.130 0.381 -2.164) 2.471 24.031 ( 0.565 1.293 0.556) 1.517 24.090 ( -0.195 1.106 -1.087) 1.563 24.157 ( 0.438 -0.997 0.759) 1.327 24.167 ( 2.018 -2.985 -1.407) 3.868 24.227 ( 0.046 0.377 0.967) 1.039 24.279 ( -0.911 -1.271 -0.603) 1.676 24.322 ( 1.463 1.943 1.782) 3.015 24.455 ( 1.148 -1.635 -1.806) 2.693 24.768 ( -3.604 -2.361 1.076) 4.441 24.810 ( -4.385 -1.701 -0.479) 4.727 25.133 ( 2.820 1.244 4.084) 5.117 25.256 ( 3.526 3.619 -4.725) 6.918 25.311 ( 5.270 -2.463 3.132) 6.607 25.522 ( 1.725 -3.094 -5.920) 6.899 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -4.131 4.879 6.089) 8.828 1.382 ( 0.777 4.525 -1.321) 4.777 1.551 ( -7.792 -4.557 5.963) 10.819 1.675 ( 7.761 -1.392 -0.107) 7.886 1.685 ( 5.805 -6.026 -5.920) 10.250 1.699 ( -2.626 1.521 0.999) 3.195 1.812 ( -6.059 4.438 0.034) 7.511 1.847 ( 3.028 -3.815 -4.693) 6.764 2.021 ( 1.030 6.089 4.582) 7.690 2.083 ( -1.239 1.330 1.569) 2.402 2.112 ( -1.658 2.719 -3.988) 5.103 2.186 ( -6.662 3.266 3.077) 8.032 2.227 ( 0.813 2.610 -0.253) 2.746 2.354 ( -2.494 -0.589 -4.144) 4.873 2.391 ( 1.036 -2.252 -0.211) 2.487 2.436 ( 1.742 1.539 -2.827) 3.659 2.493 ( 1.224 2.587 -0.825) 2.978 2.541 ( 3.439 0.064 -4.488) 5.655 2.617 ( -0.995 2.247 2.853) 3.765 2.632 ( 4.227 -0.701 1.834) 4.661 2.672 ( 0.297 0.582 -0.278) 0.710 2.720 ( -0.252 0.455 -3.813) 3.849 2.965 ( 7.617 0.044 5.348) 9.307 3.045 ( 0.509 -7.349 1.478) 7.514 3.075 ( -5.671 1.336 2.279) 6.256 3.164 ( -1.718 -0.448 -4.942) 5.251 3.252 ( -1.845 5.468 5.920) 8.267 3.312 ( 8.835 3.353 -0.289) 9.455 3.363 ( 6.799 3.264 4.615) 8.841 3.451 ( -7.257 0.648 -0.902) 7.341 3.508 ( -9.533 7.290 4.145) 12.697 3.651 ( 3.133 5.955 -7.092) 9.776 3.745 ( 1.065 0.561 9.478) 9.554 3.788 ( -0.330 1.143 2.940) 3.172 3.836 ( -1.833 -1.346 0.476) 2.323 3.901 ( -5.286 1.973 4.026) 6.931 3.933 ( 2.561 -1.614 -5.698) 6.452 4.038 ( 3.372 4.098 -4.333) 6.851 4.116 ( -1.784 -0.946 6.480) 6.787 4.147 ( -5.133 -5.089 4.749) 8.649 4.271 ( 4.417 -4.098 0.128) 6.026 4.315 ( -2.329 -1.623 1.581) 3.250 4.376 ( 1.193 4.011 -0.713) 4.244 4.415 ( 2.550 3.222 -1.419) 4.347 4.496 ( 1.760 2.996 1.495) 3.782 4.527 ( -1.716 -0.750 5.384) 5.701 4.551 ( 1.262 -1.771 -1.082) 2.428 4.661 ( -0.044 0.331 -4.452) 4.465 4.710 ( 3.684 -5.634 2.484) 7.175 4.815 ( -2.298 -7.450 -5.269) 9.410 4.883 ( -2.504 -4.346 3.386) 6.052 4.982 ( -0.154 -5.556 -1.158) 5.678 5.018 ( 3.322 -4.671 -1.110) 5.838 5.088 ( -0.059 -4.245 -4.103) 5.904 5.370 ( 2.303 2.549 0.534) 3.477 5.442 ( -1.761 3.471 -4.837) 6.209 5.491 ( 3.869 3.380 1.681) 5.406 5.562 ( -4.472 1.674 -4.069) 6.274 5.728 ( -0.974 0.796 0.804) 1.493 5.739 ( 0.772 1.077 0.800) 1.548 5.939 ( -9.210 1.338 2.449) 9.624 5.983 ( 7.406 -0.383 -1.336) 7.535 6.177 ( 1.536 -1.218 2.972) 3.560 6.241 ( -2.448 -1.251 -4.146) 4.975 6.409 ( -1.080 2.032 3.003) 3.783 6.513 ( 1.451 -0.544 -5.354) 5.574 6.665 ( -1.922 -0.604 -0.991) 2.245 6.701 ( 1.176 -2.527 -4.461) 5.261 6.979 ( -0.748 1.812 5.273) 5.626 7.097 ( 0.729 0.950 -5.032) 5.172 7.205 ( 0.786 -2.836 2.236) 3.696 7.259 ( 0.087 -2.442 -2.496) 3.493 7.837 ( 1.187 2.303 0.762) 2.701 7.858 ( -1.735 1.986 -1.127) 2.868 7.981 ( 0.792 -0.356 -2.040) 2.218 7.989 ( -1.057 0.193 -2.619) 2.831 8.268 ( -1.158 1.448 2.287) 2.944 8.302 ( 2.157 0.242 -0.523) 2.232 8.584 ( 1.247 -5.621 3.763) 6.878 8.646 ( -0.890 -6.035 -2.048) 6.435 9.138 ( -1.668 -0.770 2.120) 2.805 9.185 ( 0.575 -0.913 -2.161) 2.415 9.263 ( 0.166 -0.506 1.077) 1.201 9.298 ( 0.939 -1.386 -2.095) 2.682 9.394 ( 1.035 4.985 2.645) 5.737 9.447 ( -0.448 3.941 -2.052) 4.466 9.618 ( 1.568 -2.147 2.061) 3.364 9.654 ( -2.737 -2.062 -0.950) 3.556 9.944 ( -1.229 1.064 5.223) 5.470 10.023 ( -0.734 -1.011 6.750) 6.865 10.047 ( 1.334 0.996 -4.102) 4.427 10.159 ( 0.749 -1.585 -5.362) 5.641 11.918 ( 0.253 2.742 0.874) 2.890 11.952 ( -0.120 1.766 -2.166) 2.797 12.064 ( 1.062 0.073 1.166) 1.579 12.096 ( -1.830 -0.458 -1.605) 2.477 12.212 ( -1.310 0.422 2.244) 2.632 12.248 ( 1.773 0.869 -1.052) 2.237 12.370 ( 2.482 -2.007 3.399) 4.663 12.421 ( -1.421 -1.591 -1.450) 2.579 13.181 ( 0.098 -1.817 0.057) 1.821 13.185 ( -0.185 -1.824 -0.265) 1.852 13.306 ( 0.234 0.833 0.487) 0.993 13.324 ( -0.145 1.111 -1.082) 1.558 13.554 ( -1.974 -2.708 3.831) 5.090 13.579 ( -0.185 -3.142 2.130) 3.800 13.668 ( 0.916 2.499 0.756) 2.767 13.735 ( -0.732 0.503 -4.414) 4.502 13.992 ( -1.086 1.932 0.283) 2.234 14.004 ( 1.454 0.218 -0.811) 1.679 14.104 ( -1.816 -1.359 2.114) 3.101 14.142 ( 2.441 -2.058 -1.049) 3.361 14.215 ( -1.379 3.224 2.081) 4.078 14.264 ( 1.430 5.018 -2.169) 5.650 14.474 ( -3.005 0.474 5.980) 6.710 14.613 ( 4.739 -1.724 -6.172) 7.970 14.912 ( -4.469 3.151 1.990) 5.819 14.979 ( 3.503 1.723 -4.161) 5.705 15.500 ( 4.149 2.003 5.325) 7.042 15.586 ( -5.038 1.865 -2.123) 5.777 15.686 ( 0.005 -2.516 1.084) 2.740 15.744 ( -1.883 0.744 -3.563) 4.098 15.881 ( -4.058 -2.969 2.605) 5.662 15.943 ( 5.423 -2.825 -2.724) 6.694 22.158 ( 0.131 3.164 0.023) 3.167 22.172 ( -0.019 3.526 -1.186) 3.720 22.498 ( -0.539 -1.188 2.062) 2.440 22.521 ( -0.001 -0.592 -0.257) 0.646 22.656 ( 0.423 0.491 1.482) 1.617 22.691 ( 1.138 2.833 -1.783) 3.535 22.832 ( -4.667 -2.018 5.798) 7.711 22.946 ( 4.058 -1.867 -3.839) 5.890 23.125 ( 2.255 1.195 3.343) 4.206 23.182 ( -0.850 0.027 -1.374) 1.616 23.226 ( 0.716 0.408 2.066) 2.224 23.265 ( -0.223 1.444 -1.375) 2.006 23.468 ( -2.645 1.013 5.639) 6.310 23.575 ( -0.502 -0.161 -0.274) 0.594 23.587 ( 3.053 0.067 -1.968) 3.633 23.658 ( 0.530 -1.719 -4.476) 4.824 23.782 ( -0.733 1.325 1.622) 2.219 23.846 ( 0.486 0.295 -4.188) 4.226 24.048 ( 0.906 1.448 0.884) 1.924 24.075 ( -1.223 1.104 -1.465) 2.205 24.163 ( -0.120 -2.043 0.736) 2.175 24.184 ( 0.433 -2.725 -1.236) 3.023 24.233 ( 0.372 0.475 1.827) 1.924 24.261 ( -0.840 -0.019 -0.622) 1.046 24.368 ( 2.655 2.170 2.741) 4.390 24.442 ( -2.164 -0.264 -3.973) 4.531 24.723 ( -1.835 -2.356 3.486) 4.590 24.765 ( 0.474 -3.465 -0.823) 3.593 25.170 ( 0.571 2.338 4.397) 5.013 25.295 ( 0.809 2.240 -7.173) 7.558 25.392 ( 2.249 -2.760 4.672) 5.874 25.499 ( -3.403 -2.596 -4.910) 6.514 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -9.324 6.196 12.797) 17.003 1.313 ( -9.222 4.195 -2.874) 10.531 1.389 ( -7.214 3.002 6.132) 9.932 1.596 ( -2.112 -4.651 -6.140) 7.987 1.742 ( -3.245 -0.417 2.516) 4.128 1.777 ( -0.492 -8.065 -0.809) 8.121 1.818 ( 6.004 -2.153 -1.969) 6.676 1.988 ( -4.304 0.563 6.729) 8.008 2.017 ( 4.914 4.515 -0.465) 6.690 2.034 ( -1.884 1.105 0.501) 2.241 2.070 ( -1.003 -0.100 -0.230) 1.034 2.134 ( 1.695 4.850 -2.302) 5.630 2.235 ( 2.461 -1.264 3.619) 4.555 2.327 ( 0.189 3.394 0.702) 3.470 2.415 ( -2.055 0.987 0.302) 2.299 2.442 ( 0.965 -0.977 -4.344) 4.556 2.509 ( 4.306 -0.006 -1.991) 4.744 2.568 ( -2.388 1.341 -1.572) 3.157 2.613 ( 3.798 -1.701 -5.164) 6.632 2.671 ( 2.917 0.944 -0.882) 3.190 2.726 ( 1.569 -0.961 4.148) 4.538 2.787 ( 0.830 1.814 3.866) 4.350 2.877 ( -1.723 7.155 -1.616) 7.534 3.038 ( -7.735 0.423 -2.282) 8.076 3.117 ( 0.491 2.625 6.354) 6.892 3.160 ( 2.853 0.132 -0.837) 2.976 3.237 ( 0.617 3.014 -1.697) 3.513 3.294 ( -0.432 -4.641 -2.958) 5.521 3.356 ( -0.466 4.195 4.475) 6.151 3.473 ( 1.912 0.893 -4.951) 5.382 3.506 ( 1.529 1.129 -1.189) 2.241 3.621 ( -6.482 3.501 1.518) 7.522 3.715 ( -5.247 3.047 9.929) 11.636 3.740 ( 2.483 3.869 -0.929) 4.690 3.815 ( 0.686 -0.539 4.867) 4.945 3.898 ( 1.373 4.399 -2.521) 5.253 3.947 ( -1.082 4.796 -1.499) 5.140 4.029 ( -4.088 -5.597 7.046) 9.883 4.114 ( 2.440 2.463 -1.318) 3.709 4.162 ( 4.137 -4.761 4.761) 7.902 4.245 ( -2.533 -3.638 -1.526) 4.688 4.364 ( 1.861 -0.195 1.500) 2.398 4.420 ( 2.835 1.875 -0.904) 3.518 4.468 ( 2.577 4.087 3.003) 5.689 4.498 ( -0.837 2.743 4.030) 4.946 4.534 ( -0.154 2.690 -3.130) 4.130 4.565 ( 0.524 -0.330 -3.939) 3.987 4.643 ( -1.133 -1.350 -3.356) 3.791 4.799 ( 1.433 -6.526 -3.307) 7.455 4.812 ( 2.601 -12.376 5.553) 13.812 4.849 ( 4.050 -1.892 -0.449) 4.492 4.962 ( -1.681 -3.265 -1.135) 3.843 5.085 ( 1.337 -4.497 0.471) 4.715 5.112 ( 3.259 -4.047 -7.590) 9.198 5.380 ( -1.710 -0.754 -1.120) 2.179 5.421 ( -1.054 5.087 -0.312) 5.204 5.477 ( -2.591 0.099 -2.489) 3.594 5.526 ( -1.651 1.443 1.565) 2.694 5.676 ( -5.178 1.665 -1.159) 5.561 5.751 ( 0.693 0.943 0.629) 1.329 5.833 ( 1.671 2.142 0.024) 2.717 6.037 ( -1.645 -0.589 2.311) 2.897 6.195 ( -0.683 -1.899 5.071) 5.457 6.217 ( 0.576 -2.564 -4.805) 5.477 6.433 ( 3.095 3.624 1.850) 5.112 6.522 ( -0.506 -0.302 -3.394) 3.445 6.634 ( -0.960 0.590 -2.329) 2.587 6.718 ( 0.635 -2.246 -1.684) 2.878 6.965 ( -1.017 2.230 4.625) 5.234 7.096 ( -0.611 1.168 -5.142) 5.308 7.225 ( 0.862 -4.008 2.099) 4.606 7.265 ( 0.804 -2.816 -2.901) 4.122 7.821 ( -1.557 2.011 -0.538) 2.599 7.857 ( 0.571 1.703 0.768) 1.953 7.963 ( -0.838 0.822 -3.080) 3.296 7.982 ( -0.909 -0.826 -0.955) 1.556 8.241 ( -1.650 2.035 1.144) 2.859 8.326 ( 0.155 -0.425 -1.049) 1.143 8.604 ( 0.428 -6.438 3.591) 7.384 8.630 ( -0.403 -5.795 -2.437) 6.299 9.098 ( -1.878 0.494 1.528) 2.472 9.174 ( -1.081 -0.942 -0.959) 1.726 9.277 ( 0.715 -1.662 0.344) 1.841 9.346 ( 3.097 -0.922 -1.828) 3.713 9.376 ( -1.802 4.947 -0.488) 5.288 9.466 ( 1.451 3.943 -0.491) 4.231 9.595 ( -2.287 -1.974 -0.066) 3.021 9.646 ( 0.623 -0.792 2.773) 2.951 9.931 ( -0.267 0.999 4.774) 4.885 10.020 ( -0.046 -1.202 6.901) 7.005 10.073 ( 1.416 0.611 -4.150) 4.427 10.171 ( 0.775 -1.753 -5.356) 5.688 11.920 ( -0.138 2.598 0.829) 2.731 11.949 ( -0.026 1.611 -2.383) 2.877 12.062 ( -0.854 0.032 -0.567) 1.025 12.104 ( 2.226 0.495 1.489) 2.723 12.197 ( -0.575 0.015 1.348) 1.465 12.292 ( 2.604 0.036 -0.806) 2.726 12.388 ( -1.153 -1.211 -2.205) 2.767 12.424 ( 2.132 -2.230 1.651) 3.499 13.185 ( 1.029 -1.244 0.102) 1.618 13.200 ( 1.140 -1.667 0.082) 2.022 13.302 ( -0.890 0.583 0.082) 1.067 13.317 ( -0.055 0.601 -0.663) 0.896 13.498 ( -3.525 -1.560 3.417) 5.152 13.548 ( -3.279 -2.503 3.523) 5.425 13.685 ( 0.336 1.393 1.244) 1.897 13.714 ( -0.905 1.021 -3.377) 3.642 13.960 ( -1.926 1.939 0.144) 2.736 14.012 ( -0.915 -0.204 -0.366) 1.006 14.087 ( -0.007 -0.115 0.866) 0.874 14.191 ( 2.182 -2.908 -1.508) 3.936 14.205 ( 0.558 1.571 0.912) 1.900 14.288 ( 1.510 3.362 0.652) 3.743 14.420 ( -2.866 1.011 3.009) 4.277 14.678 ( 1.645 -2.577 -6.034) 6.764 14.872 ( 0.936 3.892 1.987) 4.469 15.047 ( 3.313 0.382 -2.265) 4.031 15.387 ( -10.214 2.218 -0.230) 10.455 15.564 ( -3.651 4.727 2.510) 6.479 15.685 ( -1.426 -0.780 0.746) 1.788 15.723 ( 1.800 -1.763 1.580) 2.974 15.859 ( 2.263 -1.180 -1.105) 2.781 16.038 ( 4.144 -3.067 -2.160) 5.590 22.167 ( 0.802 3.424 -0.229) 3.524 22.177 ( 0.569 3.982 -1.136) 4.180 22.496 ( 0.719 -0.672 1.465) 1.765 22.561 ( 3.291 -1.229 0.616) 3.566 22.658 ( -0.428 0.203 0.217) 0.521 22.717 ( 1.865 2.189 -2.041) 3.527 22.748 ( -4.040 -0.514 4.855) 6.337 23.011 ( 2.602 -1.866 -1.906) 3.726 23.159 ( -0.456 1.130 -2.219) 2.531 23.173 ( 2.163 0.192 1.956) 2.922 23.258 ( 0.039 -0.504 -1.698) 1.772 23.277 ( 2.627 0.521 1.656) 3.149 23.407 ( -3.142 3.389 3.578) 5.845 23.572 ( 2.078 -1.847 1.614) 3.214 23.655 ( 2.754 -1.785 -6.114) 6.940 23.731 ( 5.204 0.155 -2.015) 5.582 23.769 ( 0.245 0.548 1.954) 2.044 23.866 ( 1.484 -0.518 -3.115) 3.489 24.046 ( -0.949 0.712 -0.754) 1.406 24.065 ( 0.380 1.499 0.859) 1.769 24.143 ( -1.947 -2.777 0.319) 3.406 24.187 ( -0.492 -2.174 -1.280) 2.571 24.237 ( -0.628 0.103 0.557) 0.845 24.255 ( 0.741 -0.259 1.428) 1.630 24.371 ( -3.299 0.308 -2.303) 4.035 24.423 ( 1.391 1.794 0.431) 2.311 24.727 ( 3.020 -1.912 3.799) 5.216 24.808 ( 3.321 -2.380 0.677) 4.142 25.159 ( -1.873 2.745 2.760) 4.320 25.273 ( -2.664 1.285 -7.715) 8.262 25.379 ( -5.652 -2.834 -0.018) 6.322 25.411 ( -3.374 -1.633 1.438) 4.015 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -6.441 8.273 9.719) 14.297 1.152 ( -5.435 6.696 7.858) 11.667 1.213 ( -10.836 6.215 3.771) 13.048 1.511 ( -6.479 -0.677 -9.546) 11.557 1.666 ( -6.373 -3.669 6.223) 9.633 1.745 ( -1.388 -6.273 -5.524) 8.473 1.898 ( 3.707 0.232 2.288) 4.362 1.926 ( 0.120 -4.415 2.749) 5.202 1.984 ( -1.417 3.275 0.402) 3.591 2.023 ( 2.144 -1.131 4.473) 5.087 2.102 ( 2.581 -3.619 -1.487) 4.687 2.205 ( 2.195 -1.799 2.763) 3.961 2.283 ( -2.036 4.926 7.580) 9.267 2.346 ( 3.997 -0.425 3.140) 5.101 2.404 ( -3.395 3.205 1.604) 4.937 2.443 ( -1.651 1.963 -1.821) 3.145 2.543 ( 4.432 -3.443 -0.051) 5.612 2.636 ( 4.127 -3.413 -5.320) 7.549 2.706 ( 7.659 2.327 -1.314) 8.112 2.714 ( 0.969 4.751 4.414) 6.557 2.734 ( 0.616 0.577 -2.877) 2.998 2.801 ( -0.338 2.158 2.011) 2.969 2.882 ( -1.100 4.167 -1.411) 4.535 2.935 ( -1.903 3.276 -8.526) 9.330 3.053 ( -1.505 1.662 -1.638) 2.777 3.222 ( 2.053 -1.988 0.843) 2.980 3.250 ( -3.060 0.751 -2.901) 4.283 3.296 ( 3.186 1.531 0.116) 3.537 3.382 ( -4.368 -0.426 1.720) 4.714 3.422 ( 2.669 0.525 6.928) 7.443 3.433 ( -6.760 -2.014 -1.284) 7.170 3.613 ( -1.096 3.811 -2.582) 4.732 3.714 ( 7.481 8.701 -1.524) 11.575 3.733 ( -3.177 4.849 2.449) 6.293 3.811 ( -2.837 5.475 -0.356) 6.176 3.893 ( -2.364 1.946 3.995) 5.033 3.946 ( 2.112 -0.068 3.815) 4.361 4.053 ( 5.996 -1.871 0.137) 6.283 4.143 ( 1.082 -1.994 -1.708) 2.839 4.188 ( -2.958 -1.354 -0.052) 3.254 4.217 ( 1.274 -3.103 0.462) 3.386 4.373 ( -1.072 0.979 5.166) 5.366 4.416 ( -3.570 -4.810 -2.413) 6.458 4.452 ( -3.106 2.810 0.973) 4.300 4.495 ( -0.981 0.418 4.557) 4.680 4.539 ( 1.162 5.660 1.880) 6.076 4.568 ( 0.357 -2.048 -3.825) 4.354 4.669 ( 3.434 2.328 -6.831) 7.992 4.813 ( 2.976 -4.252 -0.744) 5.243 4.880 ( 2.415 -5.405 1.586) 6.129 4.921 ( -0.487 -1.325 -2.605) 2.964 4.984 ( 3.535 -4.054 -0.689) 5.423 5.062 ( -0.039 -4.847 -0.449) 4.868 5.194 ( 3.844 -5.352 -3.058) 7.264 5.289 ( -6.144 -3.510 -0.800) 7.121 5.355 ( -4.478 1.418 1.751) 5.013 5.466 ( -0.110 1.963 -0.290) 1.988 5.521 ( -0.281 -2.709 -0.646) 2.799 5.602 ( 1.955 5.527 -2.783) 6.489 5.779 ( 0.212 2.071 0.090) 2.084 5.917 ( 4.230 -1.348 -1.389) 4.652 5.998 ( -0.757 -1.269 -0.024) 1.478 6.173 ( -1.389 -1.573 2.850) 3.539 6.189 ( -3.479 -1.878 0.540) 3.990 6.494 ( -1.525 1.470 0.812) 2.269 6.503 ( 2.743 3.104 1.300) 4.342 6.629 ( 0.790 0.920 -2.149) 2.468 6.723 ( 0.091 -1.289 -1.602) 2.058 6.949 ( -0.735 2.879 3.450) 4.553 7.068 ( -1.663 1.442 -5.052) 5.511 7.236 ( 0.125 -4.828 2.600) 5.485 7.281 ( 0.821 -4.298 -2.413) 4.997 7.808 ( 0.507 1.436 -0.205) 1.536 7.860 ( -0.329 1.204 0.083) 1.251 7.952 ( -1.462 -0.130 -0.435) 1.531 7.959 ( 0.271 0.308 -3.477) 3.501 8.216 ( -0.677 1.903 0.564) 2.097 8.302 ( -2.538 -0.962 -1.122) 2.936 8.603 ( -0.754 -6.898 3.540) 7.790 8.630 ( 0.461 -6.259 -2.246) 6.666 9.081 ( 0.135 1.619 0.882) 1.849 9.150 ( -1.333 0.834 -1.101) 1.920 9.283 ( 0.087 -1.217 -0.372) 1.276 9.340 ( -1.396 1.203 -0.810) 2.013 9.403 ( 2.148 0.832 -1.301) 2.645 9.462 ( -1.745 2.010 0.419) 2.695 9.597 ( 2.658 0.882 -1.177) 3.038 9.644 ( -1.155 0.436 3.221) 3.449 9.941 ( 0.846 1.038 4.476) 4.672 10.029 ( 0.398 -1.392 6.838) 6.990 10.087 ( 0.125 0.399 -4.551) 4.570 10.179 ( 0.272 -1.807 -4.870) 5.202 11.915 ( -0.310 2.207 0.850) 2.385 11.949 ( 0.195 1.124 -2.663) 2.897 12.059 ( 0.707 0.703 -0.034) 0.998 12.144 ( 0.458 -0.427 0.409) 0.748 12.190 ( 0.726 0.868 1.718) 2.057 12.325 ( -0.223 -1.160 -1.050) 1.580 12.382 ( 1.419 0.234 -2.131) 2.571 12.447 ( -0.118 -1.935 -0.195) 1.948 13.218 ( 0.754 -0.405 -0.331) 0.918 13.227 ( 2.004 0.133 0.133) 2.013 13.286 ( 0.772 -1.725 0.486) 1.951 13.331 ( 1.739 -0.695 -0.037) 1.873 13.423 ( -4.635 -1.938 2.874) 5.788 13.469 ( -4.451 -1.304 2.263) 5.161 13.682 ( -0.574 1.737 2.154) 2.826 13.703 ( 0.109 1.693 -2.152) 2.740 13.932 ( -0.644 1.682 0.467) 1.860 13.984 ( -1.578 0.230 -0.656) 1.724 14.093 ( 0.569 -0.459 0.795) 1.080 14.184 ( -2.202 -1.773 -1.827) 3.366 14.248 ( 3.004 0.038 -0.167) 3.009 14.341 ( 0.343 0.149 5.242) 5.255 14.387 ( 2.842 -1.709 -0.046) 3.316 14.663 ( -2.729 -4.016 -3.556) 6.019 14.934 ( 4.304 3.319 0.935) 5.515 15.104 ( 2.044 -0.904 1.557) 2.724 15.193 ( -7.824 7.911 -1.093) 11.180 15.430 ( -7.908 5.353 -1.541) 9.673 15.695 ( 1.554 -0.088 0.728) 1.718 15.739 ( -0.456 -0.106 2.112) 2.164 15.938 ( 4.735 -0.645 0.041) 4.779 16.091 ( 1.134 -2.824 -2.558) 3.976 22.184 ( 0.563 3.922 -0.237) 3.969 22.191 ( 0.986 4.874 -1.434) 5.175 22.526 ( 2.062 -0.528 1.321) 2.505 22.627 ( 1.370 2.184 0.274) 2.593 22.642 ( 0.401 -3.172 -0.299) 3.212 22.687 ( -2.391 0.936 2.433) 3.537 22.770 ( 3.733 0.412 0.416) 3.779 23.033 ( -0.604 -2.338 -1.820) 3.024 23.159 ( 0.504 1.280 -2.847) 3.162 23.171 ( -4.520 1.436 0.294) 4.752 23.261 ( 2.917 -1.244 0.697) 3.247 23.319 ( 0.904 -1.097 2.103) 2.539 23.408 ( 2.646 4.661 2.654) 5.981 23.605 ( -0.497 -3.098 -3.035) 4.365 23.706 ( 3.872 -1.981 -2.749) 5.146 23.777 ( 1.340 0.464 -0.318) 1.453 23.829 ( 2.827 -0.164 -1.260) 3.099 23.918 ( 4.875 -1.768 -0.190) 5.189 24.043 ( 0.435 0.373 -0.569) 0.808 24.056 ( -4.804 0.333 0.758) 4.875 24.082 ( -1.790 -0.149 -0.124) 1.801 24.157 ( -1.949 -1.572 -0.931) 2.672 24.225 ( -0.224 -1.542 0.665) 1.694 24.276 ( 0.524 -1.879 0.880) 2.140 24.315 ( -1.176 1.462 0.132) 1.881 24.437 ( 0.051 -1.203 -1.065) 1.608 24.858 ( 9.101 -0.984 2.162) 9.406 24.885 ( 4.573 -0.533 1.674) 4.899 25.110 ( -2.860 1.458 -0.344) 3.228 25.186 ( -5.381 1.978 -4.555) 7.322 25.240 ( -6.415 -1.194 -1.499) 6.695 25.330 ( -5.667 -0.815 3.468) 6.693 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.995 13.487 7.209) 16.088 1.291 ( 3.559 5.284 0.209) 6.374 1.307 ( -0.264 7.156 3.317) 7.892 1.457 ( 1.245 -4.005 -1.582) 4.482 1.510 ( 1.602 0.781 0.840) 1.970 1.649 ( 5.982 -7.492 -8.121) 12.564 1.867 ( 1.097 -0.552 3.590) 3.794 1.915 ( 3.845 -1.269 3.043) 5.065 1.935 ( 2.911 -5.658 -0.784) 6.411 1.993 ( 2.465 -7.210 0.258) 7.624 2.060 ( -4.276 1.801 -5.569) 7.249 2.136 ( -0.916 -4.536 -7.914) 9.167 2.313 ( -1.731 0.961 7.690) 7.940 2.327 ( -0.340 -0.866 4.111) 4.215 2.467 ( 1.423 1.276 -5.025) 5.376 2.473 ( 3.095 2.374 0.316) 3.914 2.638 ( 0.527 1.412 4.408) 4.659 2.652 ( -0.420 -0.273 3.117) 3.157 2.726 ( -3.720 3.861 0.113) 5.363 2.749 ( -4.860 1.177 -1.556) 5.237 2.835 ( -7.188 2.641 -1.353) 7.776 2.865 ( -3.399 0.593 -0.173) 3.455 2.909 ( -1.521 11.173 9.370) 14.661 3.041 ( 0.630 -0.664 -2.235) 2.415 3.078 ( -0.427 0.468 -0.715) 0.955 3.124 ( 4.044 -1.335 -1.034) 4.382 3.237 ( 0.716 -0.374 7.093) 7.139 3.253 ( -2.852 -1.118 3.513) 4.661 3.430 ( 3.781 3.604 5.012) 7.240 3.476 ( 2.793 1.538 0.843) 3.298 3.557 ( 3.241 2.857 8.258) 9.320 3.661 ( -3.814 2.148 2.563) 5.072 3.676 ( 0.511 -3.200 0.057) 3.241 3.710 ( -1.601 -4.446 6.565) 8.089 3.849 ( -2.254 4.498 -3.895) 6.362 3.951 ( 3.163 1.055 -5.643) 6.555 3.996 ( -1.401 -2.929 -5.712) 6.571 4.075 ( 1.352 -6.818 -15.300) 16.805 4.154 ( -1.131 1.706 0.349) 2.077 4.187 ( -1.420 -2.236 0.103) 2.650 4.243 ( 3.994 4.504 1.626) 6.235 4.310 ( -1.488 7.609 -2.565) 8.167 4.353 ( -0.507 -2.324 7.770) 8.126 4.417 ( -1.716 -3.059 2.969) 4.595 4.476 ( 0.180 2.911 1.834) 3.445 4.522 ( 0.925 0.126 -3.147) 3.283 4.646 ( -3.015 5.203 3.399) 6.908 4.761 ( 0.890 -1.584 -3.327) 3.791 4.782 ( -1.624 -3.992 1.624) 4.606 4.828 ( 2.642 -4.264 -0.105) 5.017 4.906 ( 0.731 -0.145 -2.334) 2.450 4.939 ( -3.515 -4.491 -2.640) 6.285 5.028 ( -2.030 2.040 -1.232) 3.131 5.075 ( 3.183 -2.288 -3.937) 5.555 5.270 ( 4.764 0.594 -1.467) 5.020 5.282 ( -1.109 -0.011 -2.633) 2.857 5.448 ( 0.339 -1.842 0.681) 1.993 5.464 ( 0.591 -2.292 -0.696) 2.467 5.722 ( -3.481 1.259 4.245) 5.632 5.744 ( 0.828 -0.693 2.316) 2.555 5.923 ( -1.446 1.988 -0.704) 2.558 5.981 ( 0.264 -3.217 -3.952) 5.103 6.145 ( 1.933 0.361 0.588) 2.053 6.157 ( 2.514 -0.668 0.153) 2.605 6.548 ( 0.781 3.945 2.090) 4.532 6.602 ( -1.341 4.213 -2.706) 5.183 6.627 ( 1.013 -2.634 1.605) 3.247 6.686 ( -0.985 -2.714 -4.135) 5.043 7.023 ( 0.540 3.982 1.618) 4.332 7.086 ( -0.370 2.765 -3.756) 4.679 7.122 ( -0.026 -5.202 2.538) 5.788 7.171 ( -0.342 -5.079 -1.771) 5.390 7.857 ( 0.637 1.459 0.233) 1.609 7.876 ( 0.376 0.339 -1.442) 1.529 7.923 ( -0.885 0.993 0.389) 1.386 7.961 ( 0.718 -1.784 -2.834) 3.425 8.247 ( -1.039 1.121 0.857) 1.752 8.254 ( -0.238 0.951 0.147) 0.991 8.471 ( -0.441 -2.808 1.759) 3.343 8.505 ( 0.540 -5.399 -1.494) 5.628 9.145 ( 0.818 2.045 0.376) 2.234 9.162 ( -0.121 0.776 -1.319) 1.535 9.278 ( -0.115 -0.349 -0.301) 0.475 9.287 ( -0.750 -1.016 -1.121) 1.689 9.446 ( -1.009 0.934 0.719) 1.552 9.459 ( 0.883 -0.235 -0.522) 1.052 9.644 ( -1.070 2.102 2.051) 3.126 9.673 ( 1.508 -0.504 -0.621) 1.707 9.987 ( 0.764 1.287 4.736) 4.967 10.012 ( 0.522 -1.235 5.344) 5.510 10.093 ( -0.709 1.403 -3.495) 3.832 10.131 ( -0.403 -2.190 -4.124) 4.686 11.944 ( -0.265 1.184 -0.492) 1.309 11.958 ( -0.019 -0.232 -1.750) 1.765 12.115 ( 0.879 1.155 -0.084) 1.454 12.119 ( -0.687 0.607 -0.447) 1.020 12.248 ( 1.277 0.649 1.122) 1.820 12.270 ( -1.004 -1.418 -0.736) 1.887 12.403 ( -1.062 0.274 0.047) 1.097 12.414 ( 0.273 -0.743 -1.024) 1.294 13.240 ( -1.831 0.753 1.022) 2.229 13.246 ( 1.204 0.594 0.357) 1.389 13.289 ( -4.569 -0.792 1.338) 4.826 13.305 ( 3.757 -2.194 -0.091) 4.352 13.358 ( 1.505 -0.933 0.658) 1.889 13.361 ( 0.546 -1.434 0.490) 1.611 13.724 ( -0.138 2.277 0.873) 2.442 13.744 ( 0.643 0.436 -0.926) 1.209 13.955 ( 0.726 0.146 -0.090) 0.746 13.960 ( -0.266 -0.404 -0.537) 0.723 14.098 ( 0.093 0.291 0.894) 0.945 14.110 ( -0.955 -0.699 -0.157) 1.194 14.320 ( 1.817 2.407 2.580) 3.969 14.358 ( 0.392 1.781 -0.585) 1.915 14.401 ( 1.698 -2.359 3.872) 4.842 14.459 ( -4.818 -4.850 -1.324) 6.963 15.056 ( -0.475 2.428 3.134) 3.993 15.092 ( 1.610 -0.781 0.855) 1.983 15.323 ( -1.515 6.986 0.341) 7.157 15.411 ( 1.842 -0.769 -6.865) 7.149 15.739 ( -0.202 0.750 1.331) 1.542 15.741 ( 0.859 0.526 1.028) 1.440 15.987 ( 0.081 0.252 0.190) 0.326 16.023 ( -0.849 -2.688 -2.710) 3.910 22.283 ( -0.212 3.934 -0.204) 3.945 22.299 ( 0.096 2.739 -1.813) 3.286 22.549 ( 1.489 -0.535 2.503) 2.962 22.574 ( -0.350 -2.369 0.645) 2.480 22.698 ( 0.247 1.930 -0.054) 1.947 22.701 ( 1.754 1.022 -0.093) 2.032 22.831 ( 0.717 0.175 1.384) 1.568 22.884 ( -4.961 -3.826 -2.755) 6.844 23.152 ( -3.226 3.540 4.064) 6.281 23.220 ( -0.598 -1.257 1.009) 1.719 23.240 ( -0.317 0.470 -0.006) 0.567 23.292 ( 2.338 -2.701 -1.888) 4.040 23.519 ( 1.389 2.155 0.850) 2.701 23.549 ( -0.905 -0.676 -1.981) 2.281 23.748 ( 1.137 0.338 1.419) 1.850 23.769 ( 0.305 -1.164 -0.017) 1.203 23.889 ( -0.681 2.390 1.050) 2.697 23.942 ( 2.378 -0.857 -1.266) 2.827 23.975 ( -0.924 -0.202 -1.008) 1.382 24.019 ( -1.292 -1.934 -2.637) 3.516 24.107 ( 0.268 0.588 0.719) 0.966 24.118 ( 0.494 -0.262 -0.366) 0.668 24.207 ( 0.489 -0.448 0.832) 1.064 24.228 ( -1.200 -2.302 -1.051) 2.800 24.337 ( 0.246 0.612 1.117) 1.297 24.355 ( -1.055 -1.303 -0.563) 1.768 24.947 ( -0.196 0.216 1.047) 1.087 24.958 ( 0.308 -0.846 0.193) 0.921 25.080 ( 0.199 0.151 -0.683) 0.727 25.086 ( -2.239 -0.276 -1.096) 2.508 25.246 ( -0.417 1.032 0.124) 1.120 25.257 ( 3.420 -0.042 -0.863) 3.527 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 7.499 13.079 3.165) 15.405 1.351 ( 4.111 7.162 4.761) 9.532 1.380 ( 5.867 -5.609 0.899) 8.166 1.484 ( 0.941 -5.182 -6.989) 8.751 1.650 ( 9.149 8.007 -6.193) 13.644 1.800 ( 6.176 -3.654 -2.891) 7.737 1.851 ( -1.303 0.139 -5.773) 5.920 1.915 ( 0.654 -5.592 -5.779) 8.068 1.954 ( 0.641 0.441 4.512) 4.579 2.046 ( 2.981 -3.562 3.194) 5.637 2.103 ( 5.250 -0.621 -4.911) 7.215 2.200 ( 1.112 -5.735 0.078) 5.843 2.275 ( 0.790 3.678 0.713) 3.829 2.320 ( 0.222 -0.633 3.393) 3.459 2.441 ( -3.409 1.109 -0.852) 3.685 2.482 ( -4.788 -2.035 -1.276) 5.356 2.516 ( -8.026 1.814 -1.658) 8.394 2.551 ( -5.479 -1.135 1.432) 5.776 2.681 ( -6.426 4.128 -2.160) 7.937 2.723 ( -1.139 5.683 4.863) 7.566 2.743 ( 0.623 0.792 5.936) 6.021 2.818 ( 3.320 -1.802 6.363) 7.400 2.914 ( 4.703 8.874 5.336) 11.373 3.017 ( -0.919 -1.383 -0.019) 1.661 3.045 ( -3.776 4.034 0.626) 5.561 3.145 ( -5.379 -2.767 6.397) 8.804 3.238 ( -2.521 -1.029 7.957) 8.410 3.306 ( 4.620 -1.168 4.685) 6.683 3.449 ( 0.701 2.408 -6.180) 6.670 3.465 ( 0.232 -1.838 -1.583) 2.437 3.573 ( 0.497 4.799 5.843) 7.577 3.628 ( -1.385 -2.659 7.270) 7.864 3.775 ( 5.801 4.207 -2.662) 7.644 3.798 ( 5.830 4.481 0.800) 7.396 3.836 ( 2.869 1.699 0.269) 3.345 3.963 ( -2.586 3.539 -1.388) 4.597 3.970 ( -1.104 -2.481 -4.566) 5.313 4.074 ( -3.728 3.490 -0.451) 5.127 4.095 ( 0.281 -9.156 -9.676) 13.325 4.147 ( -2.236 -4.207 0.059) 4.765 4.279 ( -0.828 5.268 1.409) 5.516 4.295 ( 3.365 1.208 -1.207) 3.773 4.372 ( -0.118 -2.184 3.598) 4.210 4.397 ( -0.931 -4.247 4.797) 6.474 4.499 ( 0.586 0.321 1.867) 1.983 4.542 ( -0.891 -1.646 1.045) 2.144 4.595 ( -0.017 6.366 -2.261) 6.756 4.711 ( -5.489 -1.253 3.911) 6.855 4.724 ( -3.415 -5.297 -1.146) 6.406 4.784 ( -6.114 -3.227 1.128) 7.005 4.898 ( 0.619 -0.489 -1.571) 1.758 4.913 ( -0.081 -0.537 -4.584) 4.616 4.979 ( -3.009 3.043 -1.124) 4.425 5.073 ( -2.585 -4.705 -2.002) 5.730 5.335 ( 5.705 3.598 -5.033) 8.416 5.420 ( 9.500 -1.309 -3.598) 10.243 5.459 ( 0.046 -1.382 0.268) 1.408 5.496 ( 1.537 -2.638 -0.260) 3.064 5.675 ( -0.240 3.555 2.337) 4.261 5.736 ( -1.748 -2.513 2.585) 4.007 5.901 ( 0.149 3.399 -0.137) 3.405 5.987 ( 1.377 -4.555 -2.153) 5.223 6.183 ( 0.984 1.485 -2.499) 3.069 6.209 ( 1.764 -0.926 -0.992) 2.225 6.556 ( -2.799 3.252 -1.188) 4.452 6.586 ( 2.171 2.937 -0.238) 3.660 6.615 ( -2.913 -1.974 -1.368) 3.775 6.662 ( -0.164 -3.223 -0.924) 3.357 7.037 ( 0.509 3.494 2.208) 4.164 7.094 ( 1.097 2.994 -3.469) 4.712 7.121 ( -0.064 -4.702 2.259) 5.216 7.173 ( 0.599 -4.521 -1.847) 4.921 7.862 ( 0.361 2.107 -0.914) 2.325 7.891 ( 1.062 -0.323 -1.731) 2.056 7.926 ( 1.055 1.804 0.110) 2.092 7.979 ( 1.007 -2.239 -2.341) 3.392 8.246 ( 1.040 1.842 1.397) 2.535 8.270 ( 1.416 0.200 1.254) 1.901 8.464 ( -0.336 -2.082 1.884) 2.828 8.513 ( 0.294 -5.937 -1.286) 6.082 9.140 ( -0.407 1.429 -0.685) 1.636 9.157 ( -0.381 0.037 -1.157) 1.219 9.278 ( 0.751 1.231 0.168) 1.451 9.314 ( 1.479 -1.854 0.201) 2.380 9.421 ( -1.184 2.672 0.703) 3.006 9.474 ( 0.908 -2.326 -0.184) 2.503 9.613 ( -2.028 4.029 1.345) 4.707 9.682 ( -0.645 -2.406 -0.752) 2.602 9.997 ( -0.180 1.246 4.974) 5.131 10.019 ( -0.169 -0.982 4.919) 5.019 10.076 ( -0.672 1.744 -3.552) 4.014 10.119 ( -0.399 -2.262 -4.404) 4.967 11.945 ( 0.423 1.369 -0.276) 1.459 11.962 ( 0.544 -0.276 -1.323) 1.457 12.092 ( -1.399 2.075 -0.470) 2.546 12.130 ( -0.167 -1.224 -0.240) 1.258 12.251 ( -0.733 0.679 -0.474) 1.106 12.269 ( 0.681 -0.894 1.478) 1.857 12.362 ( -2.577 2.052 0.478) 3.329 12.409 ( -0.726 -2.216 -0.604) 2.409 13.194 ( -2.327 -0.309 1.093) 2.589 13.206 ( -3.309 -1.261 1.002) 3.680 13.282 ( 1.730 1.507 0.319) 2.316 13.315 ( 0.236 -1.216 0.025) 1.239 13.426 ( 4.383 -0.788 0.146) 4.455 13.443 ( 4.402 -2.358 0.303) 5.003 13.722 ( -0.015 2.769 -0.057) 2.769 13.753 ( 0.298 -0.083 -1.347) 1.382 13.961 ( 0.583 0.504 -0.585) 0.968 13.978 ( 1.453 -0.795 -0.623) 1.770 14.102 ( -0.224 0.102 0.395) 0.466 14.107 ( 0.364 -0.671 1.453) 1.641 14.302 ( -0.800 3.835 -0.242) 3.926 14.359 ( -2.996 -0.296 1.847) 3.532 14.415 ( 3.584 -0.118 -1.546) 3.905 14.473 ( 2.396 -4.110 4.563) 6.592 15.022 ( -2.016 3.514 0.106) 4.052 15.090 ( -2.054 -2.911 0.249) 3.571 15.351 ( 4.434 9.372 -0.190) 10.370 15.502 ( 6.139 -4.100 -3.335) 8.101 15.720 ( -1.339 1.546 -0.078) 2.046 15.749 ( -0.072 -0.982 0.298) 1.029 15.939 ( -4.455 1.218 -0.423) 4.638 15.991 ( -2.596 -3.102 -0.586) 4.087 22.266 ( -1.314 3.689 -0.091) 3.917 22.284 ( -1.398 2.333 -1.484) 3.098 22.544 ( -2.379 -0.079 0.015) 2.380 22.559 ( -0.851 -1.787 1.183) 2.306 22.706 ( 1.019 2.679 -1.436) 3.205 22.748 ( 2.802 -0.570 -1.554) 3.254 22.772 ( -4.901 1.226 1.397) 5.242 22.848 ( -0.009 -4.421 4.234) 6.122 23.113 ( -1.000 2.379 4.081) 4.829 23.168 ( -2.404 -2.916 3.826) 5.377 23.269 ( 1.312 2.899 -1.462) 3.502 23.325 ( 0.615 -2.375 -0.818) 2.586 23.518 ( -1.074 1.673 -1.452) 2.462 23.543 ( 0.430 -0.446 -0.741) 0.965 23.715 ( -4.853 4.208 -0.970) 6.496 23.788 ( -0.280 -2.931 -0.141) 2.948 23.800 ( -2.324 3.695 -0.432) 4.387 23.889 ( -5.052 -3.595 -1.629) 6.411 24.039 ( 1.328 -0.088 -0.207) 1.347 24.041 ( 4.467 -0.933 -1.333) 4.754 24.113 ( 0.330 0.712 -0.189) 0.807 24.129 ( 0.451 -1.096 -0.644) 1.348 24.223 ( 1.032 -0.123 0.068) 1.041 24.238 ( 1.692 -1.390 1.008) 2.411 24.341 ( -0.009 0.598 0.476) 0.765 24.358 ( 1.676 -1.587 1.282) 2.640 24.864 ( -6.453 0.636 0.894) 6.546 24.887 ( -6.124 -1.450 -0.056) 6.293 25.098 ( 3.067 1.716 1.513) 3.826 25.139 ( 4.932 -2.118 1.293) 5.522 25.286 ( 3.659 4.031 -2.408) 5.952 25.367 ( 5.811 -3.676 -3.602) 7.762 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.372 7.796 -1.123) 10.788 1.467 ( 4.157 0.223 3.502) 5.440 1.495 ( 5.636 -1.824 -5.382) 8.003 1.505 ( 3.842 -2.488 -9.807) 10.822 1.632 ( -6.179 3.446 -1.943) 7.337 1.763 ( -5.251 -6.078 0.363) 8.041 1.899 ( -1.658 4.971 2.173) 5.673 1.990 ( 7.690 1.543 -1.713) 8.028 2.043 ( -3.054 -2.902 2.563) 4.932 2.079 ( 0.161 6.499 2.745) 7.057 2.119 ( 4.343 -3.261 1.393) 5.607 2.181 ( -0.327 -1.389 3.164) 3.471 2.294 ( 1.048 0.005 -1.139) 1.548 2.336 ( 1.969 -0.128 -4.078) 4.530 2.377 ( -0.510 -1.476 -4.375) 4.646 2.412 ( -1.293 -2.077 -0.037) 2.446 2.506 ( 1.960 0.256 -1.261) 2.345 2.522 ( 2.769 -0.698 -1.686) 3.316 2.581 ( -2.287 3.931 -3.786) 5.918 2.622 ( -4.332 1.413 2.571) 5.232 2.797 ( -4.230 0.224 0.347) 4.250 2.818 ( -0.889 -1.105 2.703) 3.052 2.915 ( -8.597 6.241 2.164) 10.842 3.009 ( -7.709 -4.280 5.469) 10.376 3.100 ( 11.889 1.683 4.046) 12.671 3.124 ( 8.777 -0.571 5.042) 10.138 3.194 ( 4.821 10.407 6.666) 13.266 3.377 ( 2.153 2.406 0.572) 3.279 3.417 ( -4.723 2.938 2.125) 5.954 3.539 ( 4.404 -9.702 7.519) 13.041 3.607 ( 4.879 1.741 -4.721) 7.008 3.671 ( 3.938 0.645 0.023) 3.991 3.785 ( -6.189 5.130 3.196) 8.651 3.835 ( -1.977 5.040 4.526) 7.057 3.861 ( 1.159 7.146 -4.063) 8.301 3.889 ( -4.408 0.420 -0.252) 4.435 3.996 ( 5.206 -3.969 1.699) 6.764 4.046 ( -6.053 -5.468 -2.273) 8.468 4.062 ( -0.268 1.115 -1.305) 1.737 4.107 ( -1.637 -4.780 1.001) 5.150 4.274 ( -0.197 4.461 0.313) 4.476 4.328 ( -3.383 -2.555 2.941) 5.160 4.356 ( 1.488 -3.621 -0.022) 3.915 4.404 ( 1.952 -3.266 2.808) 4.728 4.480 ( -1.360 2.075 4.103) 4.795 4.533 ( 0.553 -3.872 -3.763) 5.428 4.590 ( -5.379 1.077 3.567) 6.544 4.618 ( 0.146 -2.851 -1.898) 3.428 4.654 ( -2.083 2.416 2.667) 4.158 4.729 ( 0.383 -1.034 -4.957) 5.078 4.879 ( -2.689 -0.602 1.853) 3.321 4.905 ( -1.753 -2.119 -2.011) 3.407 4.932 ( 0.289 1.556 -3.302) 3.662 5.019 ( -2.189 -5.204 -3.633) 6.714 5.421 ( 0.800 3.700 0.498) 3.818 5.455 ( 0.604 -0.248 -2.620) 2.700 5.517 ( 2.524 2.162 -0.927) 3.450 5.599 ( 6.769 -4.262 -3.064) 8.566 5.682 ( -0.035 1.618 0.285) 1.644 5.721 ( 0.945 -2.086 0.718) 2.400 5.931 ( 2.718 5.824 -0.187) 6.429 6.033 ( 2.863 -3.249 -0.661) 4.380 6.162 ( -3.111 1.558 -1.365) 3.737 6.217 ( -0.566 -2.935 -2.139) 3.675 6.496 ( -2.755 2.900 0.329) 4.013 6.537 ( -3.424 -0.068 -1.636) 3.795 6.630 ( 1.537 -0.709 -3.137) 3.564 6.659 ( -0.456 -2.409 -1.407) 2.827 7.040 ( -0.327 3.245 3.806) 5.013 7.103 ( 0.017 -0.681 0.453) 0.818 7.136 ( 1.265 -0.828 -1.652) 2.240 7.187 ( 0.891 -3.620 -2.813) 4.670 7.878 ( 1.142 2.982 -0.811) 3.295 7.909 ( 0.551 0.331 -1.811) 1.922 7.952 ( 1.385 0.978 -0.495) 1.766 7.991 ( 0.314 -1.747 -1.891) 2.594 8.279 ( 1.980 1.661 1.104) 2.810 8.297 ( 1.006 0.612 1.488) 1.898 8.463 ( 0.173 -2.390 2.210) 3.260 8.514 ( -0.186 -6.298 -0.965) 6.374 9.142 ( 0.343 0.664 0.140) 0.760 9.155 ( 0.476 -0.507 -1.438) 1.597 9.281 ( -0.639 1.129 0.181) 1.310 9.306 ( -2.033 -1.114 0.239) 2.330 9.431 ( 2.248 3.743 1.399) 4.584 9.506 ( 2.370 -3.431 0.741) 4.235 9.572 ( -2.232 4.215 0.283) 4.778 9.651 ( -2.345 -3.252 -0.767) 4.082 9.988 ( -1.005 1.230 5.105) 5.347 10.013 ( -0.896 -1.173 5.633) 5.823 10.068 ( 0.215 2.066 -4.419) 4.883 10.113 ( 0.195 -2.242 -4.755) 5.261 11.959 ( 0.967 1.810 -0.194) 2.061 11.977 ( 0.982 0.220 -0.970) 1.398 12.067 ( -1.034 1.601 -0.286) 1.927 12.108 ( -1.773 -1.988 -0.514) 2.713 12.243 ( -0.210 1.419 1.270) 1.915 12.276 ( -0.156 -1.046 1.719) 2.018 12.323 ( -1.035 2.501 0.228) 2.716 12.390 ( -1.035 -3.278 -1.260) 3.661 13.160 ( -1.274 -0.923 0.643) 1.700 13.162 ( -1.124 -0.983 0.443) 1.558 13.313 ( 1.303 1.215 0.573) 1.872 13.330 ( 0.948 -0.103 -0.311) 1.003 13.491 ( 2.117 -1.209 1.327) 2.776 13.505 ( 1.650 -2.444 1.071) 3.137 13.722 ( 0.038 2.691 -0.992) 2.868 13.753 ( -0.122 -0.219 -2.350) 2.363 13.983 ( 1.631 0.975 -0.307) 1.924 14.007 ( 1.344 -0.909 -0.523) 1.704 14.089 ( -0.859 -0.350 0.493) 1.050 14.101 ( -1.141 -1.384 1.445) 2.303 14.321 ( 1.907 4.284 0.108) 4.691 14.334 ( 0.195 3.136 1.475) 3.471 14.482 ( 3.082 -1.635 -2.040) 4.042 14.496 ( 0.075 -2.556 3.242) 4.129 14.996 ( -0.422 3.000 -1.742) 3.495 15.038 ( -2.935 -0.710 -0.706) 3.101 15.455 ( 5.494 6.642 1.968) 8.842 15.595 ( 2.402 -5.868 1.311) 6.475 15.700 ( -0.360 2.917 -1.736) 3.413 15.765 ( 2.563 -3.218 -2.175) 4.654 15.840 ( -5.016 2.834 -0.765) 5.812 15.916 ( -4.886 -3.926 0.751) 6.313 22.240 ( -1.081 3.137 -0.114) 3.320 22.253 ( -1.336 2.131 -1.071) 2.733 22.498 ( -2.041 -0.121 0.483) 2.101 22.521 ( -2.532 -2.350 0.134) 3.457 22.709 ( -1.476 3.440 3.913) 5.415 22.734 ( 1.215 3.080 -1.716) 3.729 22.803 ( 2.094 -2.594 -0.101) 3.335 22.840 ( -0.171 -4.164 1.641) 4.479 23.116 ( 0.861 1.522 3.662) 4.058 23.149 ( 0.098 -1.771 3.311) 3.756 23.274 ( -0.558 2.327 -0.455) 2.436 23.312 ( -1.586 -1.011 -0.641) 1.987 23.511 ( 0.337 1.738 0.017) 1.770 23.547 ( 0.415 -1.143 -1.949) 2.297 23.617 ( -3.631 3.984 -1.925) 5.724 23.703 ( -6.284 -3.302 -1.187) 7.197 23.803 ( 1.124 2.315 -0.387) 2.602 23.850 ( -0.073 -1.476 -1.253) 1.938 24.060 ( 1.045 1.357 -0.287) 1.737 24.096 ( 1.342 -2.377 -1.141) 2.958 24.117 ( 0.159 0.650 -0.984) 1.190 24.134 ( 0.041 -1.044 -0.242) 1.072 24.245 ( 0.525 0.843 0.526) 1.124 24.258 ( 0.286 -0.643 0.278) 0.757 24.360 ( 2.202 1.943 1.315) 3.218 24.408 ( 2.827 -2.639 0.631) 3.918 24.741 ( -5.447 0.036 0.408) 5.462 24.766 ( -5.666 -2.119 0.238) 6.054 25.175 ( 3.959 2.873 3.854) 6.228 25.244 ( 4.973 -3.547 3.526) 7.053 25.346 ( 2.203 4.613 -4.674) 6.927 25.441 ( 1.882 -4.520 -5.042) 7.028 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -5.259 2.483 3.109) 6.594 1.433 ( -1.016 -0.171 -1.454) 1.782 1.495 ( -3.604 0.196 -3.702) 5.171 1.563 ( 2.179 -5.492 -8.604) 10.438 1.687 ( -2.225 1.026 0.076) 2.452 1.691 ( 4.740 1.368 -0.621) 4.972 1.866 ( 0.150 1.977 4.099) 4.553 1.889 ( -3.459 0.375 3.442) 4.894 2.088 ( -0.463 2.066 2.428) 3.221 2.115 ( -1.524 1.229 1.790) 2.652 2.136 ( 0.404 2.765 9.178) 9.594 2.191 ( -0.022 -1.994 4.188) 4.638 2.337 ( -1.254 1.225 -0.390) 1.796 2.348 ( -0.970 0.822 -2.691) 2.977 2.394 ( 2.262 4.023 -6.878) 8.283 2.455 ( 3.723 -1.287 -9.967) 10.717 2.510 ( -1.998 -1.314 1.293) 2.719 2.529 ( 0.752 1.393 -2.217) 2.725 2.562 ( 1.364 -1.949 1.790) 2.977 2.626 ( -0.688 -3.172 -3.398) 4.699 2.714 ( 0.419 1.658 0.119) 1.714 2.739 ( -3.689 1.102 -1.762) 4.234 2.897 ( 4.852 -3.238 1.469) 6.015 2.925 ( 3.554 -4.484 -0.378) 5.734 3.214 ( 1.424 7.890 5.631) 9.797 3.244 ( -3.904 6.158 2.002) 7.561 3.349 ( 0.773 2.680 2.029) 3.449 3.368 ( -0.531 0.690 0.658) 1.091 3.438 ( 10.616 6.377 5.462) 13.535 3.550 ( -5.703 8.804 -2.241) 10.727 3.626 ( -0.249 -3.430 4.338) 5.536 3.726 ( -3.599 -2.197 4.090) 5.874 3.762 ( -1.504 0.754 -0.621) 1.793 3.780 ( -1.093 2.368 3.674) 4.506 3.794 ( 0.756 -0.734 1.432) 1.778 3.891 ( 0.330 0.045 -1.061) 1.112 3.927 ( 0.766 0.858 6.110) 6.217 4.005 ( -3.829 -5.488 3.928) 7.760 4.067 ( 0.295 -0.691 1.278) 1.482 4.124 ( 2.624 -3.480 -4.712) 6.419 4.252 ( -2.223 2.756 0.966) 3.671 4.298 ( 1.071 1.281 2.126) 2.703 4.373 ( 1.240 -5.733 1.508) 6.057 4.455 ( 3.127 -4.898 -1.256) 5.945 4.476 ( 0.271 4.814 0.568) 4.855 4.533 ( 1.151 -0.758 -3.575) 3.831 4.554 ( 0.432 -2.073 3.064) 3.725 4.606 ( -0.135 -6.657 0.536) 6.680 4.660 ( 0.373 5.413 -1.853) 5.733 4.724 ( -1.829 2.838 -4.814) 5.880 4.831 ( -2.111 -1.604 3.356) 4.277 4.875 ( 0.332 -5.158 2.618) 5.794 4.964 ( 2.466 -0.079 -6.741) 7.178 5.003 ( 1.228 -3.498 -6.702) 7.659 5.407 ( -1.461 1.423 1.464) 2.511 5.450 ( -0.174 -2.273 -2.089) 3.092 5.574 ( 1.550 4.013 1.594) 4.588 5.604 ( -3.819 2.096 -0.869) 4.442 5.719 ( 1.173 -1.336 -0.824) 1.960 5.734 ( -0.013 -1.797 -1.810) 2.551 6.006 ( 2.551 3.740 1.254) 4.698 6.028 ( -3.355 5.053 -0.632) 6.098 6.121 ( 0.914 -3.257 2.542) 4.231 6.176 ( -3.142 -5.035 -2.688) 6.515 6.470 ( 0.515 3.194 0.432) 3.264 6.507 ( 0.538 -0.331 -2.340) 2.424 6.644 ( -0.527 -1.109 -2.759) 3.020 6.649 ( 0.824 -1.887 -3.381) 3.959 7.033 ( -0.577 3.415 4.339) 5.552 7.106 ( 0.296 -2.288 1.256) 2.627 7.152 ( 0.335 0.231 -2.670) 2.701 7.199 ( 0.422 -3.059 -3.514) 4.678 7.894 ( 0.188 2.393 -0.201) 2.409 7.902 ( -0.960 1.702 -1.010) 2.199 7.972 ( 0.512 -0.050 -0.637) 0.819 7.988 ( -0.405 -0.699 -1.955) 2.115 8.306 ( -0.189 1.824 0.806) 2.003 8.314 ( 1.258 0.778 0.256) 1.501 8.473 ( 0.527 -3.403 2.187) 4.080 8.507 ( -0.374 -6.033 -1.014) 6.129 9.138 ( -0.979 0.766 1.514) 1.959 9.161 ( -0.285 -1.282 -0.561) 1.428 9.271 ( -0.080 0.811 0.096) 0.820 9.284 ( 0.831 -0.452 -1.097) 1.449 9.487 ( 2.844 3.936 1.819) 5.185 9.521 ( -2.380 3.287 -1.156) 4.220 9.562 ( 2.524 -2.896 2.010) 4.336 9.597 ( -2.823 -3.305 -0.879) 4.435 9.969 ( -1.167 1.352 5.231) 5.528 9.997 ( -0.914 -1.349 5.839) 6.063 10.077 ( 0.940 1.840 -4.298) 4.769 10.119 ( 0.671 -2.162 -4.867) 5.368 11.976 ( 0.515 2.319 -0.263) 2.390 11.989 ( 0.019 1.211 -1.365) 1.825 12.061 ( 0.720 -0.129 0.406) 0.837 12.075 ( -1.055 -1.326 -0.751) 1.853 12.236 ( -0.731 2.092 2.817) 3.584 12.275 ( 0.377 0.216 0.405) 0.594 12.327 ( 1.137 -0.479 0.834) 1.489 12.372 ( -0.513 -2.966 -2.175) 3.713 13.150 ( 0.065 -0.758 0.441) 0.879 13.154 ( 0.168 -1.056 0.087) 1.073 13.329 ( 0.191 1.182 0.554) 1.319 13.340 ( -0.056 0.275 -0.501) 0.574 13.505 ( -0.833 -1.371 2.705) 3.145 13.515 ( -0.382 -2.288 1.915) 3.008 13.722 ( 0.015 2.154 -0.837) 2.311 13.744 ( -0.549 -0.030 -2.740) 2.794 14.010 ( -0.365 0.493 0.188) 0.642 14.015 ( 0.160 0.343 -0.279) 0.470 14.077 ( -0.417 -0.659 1.045) 1.304 14.095 ( 1.340 -2.111 -0.474) 2.545 14.314 ( -1.810 5.259 3.299) 6.466 14.363 ( 0.403 2.407 0.076) 2.441 14.479 ( -0.683 1.128 1.061) 1.692 14.551 ( 3.390 -4.173 -4.176) 6.808 14.979 ( -2.379 2.667 0.645) 3.631 15.005 ( 0.793 0.252 -1.781) 1.966 15.551 ( 3.260 2.524 3.071) 5.141 15.599 ( -0.744 -1.875 -1.350) 2.427 15.678 ( -2.477 3.451 3.766) 5.677 15.763 ( -4.605 -1.395 -2.221) 5.300 15.810 ( 0.810 -0.922 0.610) 1.370 15.869 ( 3.671 -3.978 -3.220) 6.298 22.230 ( 0.111 2.905 -0.175) 2.913 22.240 ( 0.142 2.134 -1.108) 2.409 22.473 ( -0.618 -0.741 1.585) 1.855 22.488 ( -0.354 -2.017 0.163) 2.054 22.692 ( -0.775 2.841 3.733) 4.755 22.745 ( -0.762 -0.424 1.913) 2.102 22.804 ( 0.006 1.921 -0.161) 1.928 22.885 ( 3.370 -4.027 -4.169) 6.705 23.144 ( 1.535 0.828 2.976) 3.450 23.164 ( 0.884 -1.145 1.831) 2.333 23.258 ( -0.781 1.892 0.777) 2.189 23.282 ( -1.026 -0.204 -0.789) 1.311 23.514 ( -0.383 3.316 1.116) 3.519 23.570 ( 2.215 -0.978 -3.002) 3.857 23.586 ( -1.670 0.083 -0.546) 1.759 23.608 ( -0.467 -2.488 -2.194) 3.350 23.821 ( 0.233 2.089 0.406) 2.141 23.848 ( 0.015 -0.387 -2.035) 2.072 24.077 ( 0.437 1.090 0.319) 1.217 24.094 ( -0.762 0.192 -1.112) 1.362 24.123 ( -0.468 -1.391 -0.312) 1.501 24.130 ( 0.349 -1.509 -1.023) 1.856 24.245 ( -0.152 0.590 0.933) 1.114 24.256 ( -0.221 -0.426 -0.002) 0.480 24.413 ( 2.201 1.926 0.719) 3.012 24.437 ( -0.378 -0.421 -1.510) 1.613 24.678 ( -1.393 -1.298 2.370) 3.040 24.693 ( -0.458 -2.740 0.800) 2.891 25.235 ( 1.499 3.788 4.701) 6.220 25.318 ( 2.018 -4.036 4.653) 6.482 25.356 ( -0.854 3.422 -6.158) 7.097 25.431 ( -2.361 -3.744 -5.393) 6.977 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.843 6.324 6.614) 10.353 1.391 ( -3.002 2.577 -2.907) 4.909 1.438 ( -2.452 -1.444 -0.298) 2.861 1.569 ( -1.248 -9.114 -5.662) 10.802 1.600 ( -4.387 7.157 2.594) 8.787 1.754 ( 0.232 -5.538 2.803) 6.212 1.772 ( -5.372 3.882 4.798) 8.182 1.895 ( -4.652 -6.872 5.082) 9.731 2.061 ( -6.030 2.138 3.221) 7.163 2.087 ( -6.175 0.053 8.163) 10.235 2.141 ( 4.022 4.290 3.510) 6.849 2.200 ( 6.258 -1.303 -3.701) 7.386 2.241 ( -4.754 5.549 -7.016) 10.130 2.367 ( 2.572 -3.439 -2.651) 5.047 2.394 ( -0.160 1.867 -2.168) 2.866 2.455 ( 0.346 -1.209 1.422) 1.898 2.512 ( 1.053 -0.302 -3.929) 4.079 2.541 ( -3.604 -1.768 -2.223) 4.589 2.603 ( 5.450 2.037 -6.979) 9.086 2.662 ( 5.581 -2.093 -4.151) 7.264 2.750 ( 4.675 2.800 3.436) 6.442 2.798 ( 4.092 -1.480 2.537) 5.036 2.999 ( 5.110 3.836 -2.353) 6.809 3.094 ( 7.238 -2.086 -0.553) 7.553 3.130 ( -2.991 3.528 3.313) 5.689 3.214 ( -6.962 -0.179 -2.956) 7.566 3.239 ( -2.453 5.791 7.755) 9.985 3.321 ( -3.922 1.854 -3.557) 5.610 3.441 ( -6.789 0.833 5.027) 8.489 3.512 ( -7.713 3.243 7.654) 11.340 3.555 ( -2.173 5.091 5.023) 7.474 3.674 ( 1.257 5.497 -5.832) 8.112 3.757 ( 3.152 -5.411 4.533) 7.731 3.817 ( -0.024 2.073 3.861) 4.383 3.850 ( 2.926 -1.853 1.635) 3.830 3.892 ( 3.578 1.598 0.176) 3.923 3.973 ( 0.454 1.838 2.361) 3.026 4.012 ( -1.226 -4.248 7.500) 8.706 4.061 ( 2.628 2.410 -4.331) 5.610 4.120 ( -2.257 -3.932 -3.935) 6.004 4.229 ( -0.419 3.511 0.770) 3.618 4.353 ( 3.396 -3.647 -1.857) 5.318 4.392 ( -0.386 -1.622 5.236) 5.495 4.468 ( -2.129 -6.417 -1.401) 6.905 4.541 ( 4.383 1.757 -8.578) 9.792 4.553 ( 2.572 0.492 0.450) 2.657 4.592 ( 0.854 0.017 -1.529) 1.751 4.619 ( 1.394 -5.623 0.306) 5.802 4.677 ( 3.216 3.771 -0.890) 5.036 4.699 ( 2.453 4.021 -0.017) 4.711 4.811 ( 0.111 -1.109 2.931) 3.135 4.897 ( 0.589 -5.711 1.855) 6.033 5.006 ( 1.716 -0.702 -5.319) 5.633 5.045 ( 3.100 -2.998 -7.770) 8.886 5.367 ( -3.788 1.205 2.472) 4.681 5.432 ( -2.370 -3.833 1.162) 4.654 5.516 ( -3.692 3.449 -1.127) 5.177 5.547 ( -3.834 0.234 1.503) 4.125 5.711 ( -0.549 1.444 -2.332) 2.797 5.741 ( 1.033 -1.310 -0.870) 1.882 5.928 ( -2.885 5.590 -0.050) 6.291 6.011 ( -3.969 -2.133 1.100) 4.638 6.148 ( 0.239 -1.839 1.852) 2.620 6.157 ( 1.504 -2.634 1.060) 3.213 6.513 ( 3.338 3.270 -0.077) 4.673 6.531 ( 1.467 0.925 -2.215) 2.813 6.637 ( -0.001 -0.078 -3.667) 3.667 6.664 ( 0.884 -2.625 -1.791) 3.298 7.025 ( -0.567 3.691 3.785) 5.317 7.113 ( 0.213 -3.217 1.503) 3.557 7.143 ( -0.963 0.405 -3.104) 3.275 7.198 ( -0.253 -3.341 -3.433) 4.797 7.869 ( -1.652 2.273 -0.247) 2.821 7.891 ( -0.718 0.681 -0.058) 0.991 7.968 ( -0.678 0.089 -0.731) 1.001 7.976 ( -0.734 -0.013 -1.890) 2.028 8.292 ( -1.201 2.617 -0.089) 2.881 8.321 ( -0.658 -0.217 -0.301) 0.755 8.481 ( 0.049 -3.929 2.129) 4.469 8.500 ( -0.226 -5.383 -1.215) 5.524 9.117 ( -0.739 1.411 1.428) 2.139 9.150 ( -0.384 -1.539 -0.147) 1.593 9.284 ( 0.985 1.667 -0.270) 1.955 9.320 ( 2.060 -1.577 -0.991) 2.777 9.464 ( -2.610 3.435 -1.449) 4.551 9.515 ( -2.151 -0.620 0.172) 2.245 9.570 ( 2.212 1.168 0.503) 2.552 9.616 ( 2.269 -2.154 2.092) 3.764 9.957 ( -0.305 1.497 5.135) 5.358 9.990 ( -0.238 -1.625 6.049) 6.268 10.093 ( 0.925 1.394 -3.977) 4.314 10.130 ( 0.673 -2.069 -4.577) 5.068 11.970 ( -0.782 1.744 -0.911) 2.117 11.980 ( -0.718 0.921 -1.512) 1.910 12.068 ( 0.634 0.840 -0.315) 1.098 12.097 ( 2.022 -1.303 0.408) 2.440 12.225 ( -0.466 2.841 2.269) 3.666 12.286 ( 0.410 -1.741 0.926) 2.014 12.354 ( 1.506 -0.568 -1.334) 2.091 12.379 ( 1.449 -1.989 -0.902) 2.621 13.163 ( 1.456 -0.536 0.292) 1.579 13.169 ( 1.389 -1.051 -0.052) 1.743 13.319 ( -1.310 0.909 0.166) 1.603 13.328 ( -0.876 0.246 -0.305) 0.959 13.470 ( -2.914 -0.595 2.836) 4.109 13.490 ( -2.458 -2.406 2.422) 4.207 13.722 ( -0.017 1.625 -0.051) 1.626 13.734 ( -0.185 0.504 -1.531) 1.622 13.980 ( -1.802 0.678 0.053) 1.926 14.001 ( -1.522 -1.030 0.166) 1.845 14.094 ( 1.345 0.855 -0.064) 1.595 14.128 ( 1.564 -2.547 -0.809) 3.097 14.273 ( -1.982 4.241 2.724) 5.416 14.334 ( -2.479 -0.613 2.592) 3.639 14.472 ( -0.715 4.840 -1.649) 5.163 14.590 ( 0.372 -5.658 -3.830) 6.842 14.959 ( 0.795 4.113 1.280) 4.381 15.027 ( 1.567 -2.280 0.177) 2.772 15.492 ( -6.368 6.989 -0.836) 9.491 15.625 ( -7.396 -3.787 -0.447) 8.321 15.645 ( 3.007 1.008 1.773) 3.633 15.683 ( 1.976 -1.799 3.326) 4.267 15.870 ( 4.186 2.846 -2.097) 5.479 15.955 ( 4.243 -4.648 -2.151) 6.651 22.245 ( 1.321 3.192 -0.408) 3.479 22.255 ( 1.381 2.485 -1.333) 3.140 22.478 ( 1.007 -0.437 1.982) 2.265 22.508 ( 2.063 -3.086 1.181) 3.895 22.681 ( -0.649 1.778 2.727) 3.319 22.718 ( -1.479 -1.609 3.644) 4.249 22.814 ( 0.729 5.963 -3.738) 7.075 22.938 ( 2.032 -5.277 -3.925) 6.883 23.174 ( 1.407 0.228 1.619) 2.157 23.176 ( 0.461 0.116 -1.072) 1.173 23.258 ( 0.300 0.638 0.674) 0.975 23.274 ( 0.248 -0.679 1.999) 2.126 23.504 ( -0.822 4.709 0.323) 4.791 23.548 ( -0.358 -0.584 -1.277) 1.449 23.624 ( 3.516 -0.215 -2.792) 4.495 23.680 ( 5.579 -4.171 0.474) 6.982 23.809 ( -0.864 2.341 -0.582) 2.562 23.847 ( -0.243 -1.329 -1.388) 1.937 24.061 ( -1.122 0.983 -0.492) 1.570 24.093 ( -0.642 -1.278 -0.038) 1.430 24.101 ( -0.774 1.020 0.114) 1.286 24.136 ( -0.123 -2.170 -0.692) 2.281 24.246 ( -0.054 0.500 0.986) 1.107 24.253 ( -0.148 -0.119 0.213) 0.285 24.390 ( -2.987 1.597 -1.471) 3.693 24.426 ( -1.396 -1.358 -1.169) 2.272 24.710 ( 5.076 0.700 3.034) 5.955 24.750 ( 5.143 -2.808 1.860) 6.148 25.228 ( -2.715 3.779 2.392) 5.232 25.306 ( -4.341 -1.724 -0.830) 4.744 25.313 ( -2.764 0.210 -2.693) 3.865 25.364 ( -3.106 -2.667 -1.657) 4.417 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -2.254 10.697 4.366) 11.771 1.316 ( -3.961 10.669 4.063) 12.084 1.380 ( -6.950 2.253 -2.549) 7.738 1.476 ( -3.869 -0.464 -0.287) 3.907 1.559 ( -2.607 -7.210 1.556) 7.823 1.608 ( -4.087 -5.067 4.979) 8.196 1.809 ( 0.860 -3.725 0.283) 3.833 1.851 ( 2.559 -5.144 0.552) 5.772 1.956 ( -2.889 -1.303 3.246) 4.536 1.974 ( -3.647 -3.110 5.532) 7.319 2.136 ( -3.100 4.921 -1.771) 6.079 2.201 ( -1.222 -0.323 -4.163) 4.351 2.301 ( 1.935 0.136 1.492) 2.447 2.356 ( -2.458 -3.718 0.833) 4.534 2.442 ( -1.172 1.365 -0.517) 1.872 2.452 ( -0.055 -0.116 -0.741) 0.752 2.537 ( 7.697 2.291 -2.129) 8.308 2.586 ( 6.408 -1.694 -2.340) 7.029 2.738 ( 6.556 2.000 -6.120) 9.189 2.765 ( 3.511 0.481 -2.840) 4.541 2.837 ( 2.819 4.218 1.616) 5.324 2.876 ( 3.376 1.017 2.854) 4.536 2.983 ( -2.489 5.673 0.845) 6.252 3.023 ( -7.934 5.057 -1.389) 9.511 3.074 ( -2.728 2.228 -0.695) 3.590 3.207 ( -0.632 -0.526 0.242) 0.857 3.273 ( -1.179 -2.997 7.434) 8.102 3.280 ( -1.801 1.256 5.617) 6.031 3.356 ( 3.222 1.230 1.276) 3.677 3.391 ( -2.745 -1.653 0.552) 3.252 3.509 ( -0.044 6.459 10.156) 12.036 3.707 ( -2.698 -2.198 3.147) 4.692 3.746 ( -0.571 -3.049 5.861) 6.631 3.810 ( -6.441 6.319 0.163) 9.025 3.874 ( 0.698 -4.394 -3.595) 5.720 3.897 ( 0.361 3.628 0.143) 3.649 4.021 ( 0.093 -0.463 -7.388) 7.404 4.073 ( 1.468 -9.751 -10.469) 14.382 4.077 ( 7.422 5.750 -1.228) 9.469 4.110 ( 3.850 0.633 2.912) 4.869 4.220 ( -1.078 5.060 2.751) 5.860 4.348 ( -2.249 -1.485 4.429) 5.184 4.396 ( -2.855 -1.415 -3.724) 4.901 4.425 ( 0.681 -2.317 0.170) 2.421 4.518 ( -3.167 3.163 0.404) 4.494 4.552 ( -2.922 1.038 -0.323) 3.118 4.662 ( 2.746 -0.069 0.447) 2.783 4.691 ( 5.272 -0.325 -4.813) 7.147 4.725 ( 3.186 0.443 2.486) 4.065 4.821 ( 3.355 1.289 1.389) 3.853 4.843 ( 4.070 -5.000 -2.549) 6.933 4.915 ( 2.896 -4.108 -0.615) 5.063 5.021 ( 0.667 0.449 -4.404) 4.477 5.082 ( 0.023 -5.096 -3.823) 6.371 5.264 ( -4.374 2.971 0.861) 5.357 5.356 ( -5.107 -3.535 1.545) 6.401 5.466 ( -1.760 0.349 0.292) 1.818 5.487 ( -2.494 -0.735 -0.119) 2.603 5.703 ( 1.150 3.985 -0.330) 4.160 5.772 ( 0.089 -2.486 1.006) 2.683 5.921 ( 1.181 1.519 -1.131) 2.232 5.961 ( 0.383 -2.047 -2.853) 3.532 6.142 ( -0.823 -0.699 1.874) 2.163 6.153 ( -1.759 -1.424 3.702) 4.339 6.545 ( 0.034 3.253 0.159) 3.257 6.579 ( 2.981 2.588 -0.008) 3.947 6.630 ( -0.653 0.035 -2.761) 2.837 6.683 ( 1.132 -2.786 -2.677) 4.026 7.018 ( -0.223 3.966 2.515) 4.701 7.111 ( -1.276 2.681 -3.386) 4.504 7.120 ( -0.236 -5.699 1.940) 6.025 7.185 ( -0.755 -4.441 -2.584) 5.193 7.848 ( -0.266 2.165 0.072) 2.183 7.878 ( -0.429 -0.171 -0.350) 0.580 7.948 ( -1.342 0.317 0.054) 1.380 7.961 ( -0.420 -0.405 -2.709) 2.771 8.265 ( -1.319 2.405 -0.347) 2.764 8.290 ( -2.282 -0.277 -0.156) 2.304 8.478 ( -0.402 -3.667 2.009) 4.201 8.498 ( 0.210 -5.148 -1.355) 5.328 9.121 ( 0.972 2.059 0.714) 2.386 9.154 ( 0.717 -0.848 -0.537) 1.234 9.288 ( -0.699 1.601 -0.871) 1.952 9.328 ( -1.614 -1.797 -1.031) 2.626 9.439 ( 0.412 1.940 -0.888) 2.173 9.470 ( -1.643 -0.903 0.334) 1.904 9.627 ( 2.878 1.610 0.225) 3.305 9.648 ( 0.764 -0.323 2.044) 2.206 9.967 ( 0.833 1.380 4.846) 5.108 9.997 ( 0.501 -1.563 5.945) 6.167 10.102 ( 0.134 1.158 -3.778) 3.954 10.136 ( 0.215 -2.076 -4.190) 4.681 11.954 ( -0.718 1.252 -0.797) 1.649 11.965 ( -0.546 0.212 -1.850) 1.940 12.088 ( 1.326 1.999 -0.154) 2.404 12.126 ( 0.632 -1.361 0.047) 1.501 12.226 ( 0.605 2.590 1.558) 3.082 12.286 ( -0.481 -2.680 0.101) 2.724 12.387 ( 1.813 0.476 -1.662) 2.506 12.408 ( 1.036 -1.547 -0.443) 1.914 13.205 ( 2.334 -0.313 0.207) 2.364 13.215 ( 3.794 -1.126 0.115) 3.960 13.283 ( -2.064 1.442 0.115) 2.521 13.317 ( 0.058 -1.200 -0.107) 1.206 13.396 ( -4.796 0.063 2.602) 5.457 13.426 ( -4.020 -2.314 1.786) 4.970 13.723 ( 0.131 1.732 0.783) 1.905 13.735 ( 0.248 0.793 -0.655) 1.057 13.954 ( -0.715 0.684 0.136) 0.998 13.974 ( -1.081 -1.110 -0.142) 1.556 14.103 ( -0.326 1.206 0.193) 1.265 14.135 ( -0.984 -2.105 -0.993) 2.527 14.270 ( 1.711 2.162 2.258) 3.563 14.317 ( 1.300 -1.919 3.899) 4.535 14.436 ( -2.770 4.771 -1.335) 5.676 14.553 ( -3.759 -6.126 -2.319) 7.552 15.007 ( 3.459 3.451 1.363) 5.072 15.065 ( 1.887 -2.262 2.151) 3.647 15.376 ( -4.536 7.837 -1.539) 9.185 15.478 ( -6.724 -1.499 -2.039) 7.185 15.703 ( 2.635 0.980 1.148) 3.037 15.728 ( 1.632 -1.088 1.898) 2.729 15.947 ( 3.487 2.070 -1.182) 4.224 16.016 ( 1.929 -4.027 -2.177) 4.967 22.272 ( 1.225 3.638 -0.447) 3.864 22.284 ( 1.414 2.923 -1.650) 3.642 22.510 ( 1.990 -0.196 2.470) 3.178 22.555 ( 2.101 -4.172 1.586) 4.933 22.675 ( 0.237 1.954 1.586) 2.528 22.703 ( -0.381 -0.417 2.116) 2.190 22.821 ( 0.339 5.235 -2.775) 5.935 22.947 ( -1.094 -5.876 -3.664) 7.010 23.189 ( 1.130 1.440 -1.656) 2.468 23.203 ( 0.388 0.805 1.404) 1.664 23.247 ( -0.571 0.412 -0.620) 0.938 23.282 ( -0.364 -2.231 2.309) 3.231 23.497 ( 0.460 3.410 0.650) 3.502 23.553 ( 0.381 -2.242 -1.420) 2.681 23.698 ( 3.603 2.287 -0.114) 4.270 23.767 ( 1.309 -2.374 0.915) 2.861 23.828 ( 3.174 0.393 -1.318) 3.459 23.858 ( 3.510 -2.812 0.320) 4.509 24.043 ( -1.571 0.195 -1.278) 2.034 24.054 ( -2.484 -0.433 -1.332) 2.852 24.100 ( 0.097 1.130 0.901) 1.449 24.124 ( -0.863 -1.364 -0.053) 1.615 24.225 ( -1.808 1.120 -0.250) 2.141 24.251 ( -0.578 -1.084 0.120) 1.234 24.344 ( -1.262 1.469 0.023) 1.937 24.386 ( -2.048 -2.747 -1.273) 3.655 24.854 ( 8.292 0.407 1.724) 8.480 24.868 ( 6.233 -0.903 1.566) 6.490 25.142 ( -5.165 1.755 -1.696) 5.712 25.183 ( -6.775 -2.011 -2.165) 7.392 25.257 ( -2.451 2.428 -0.500) 3.486 25.303 ( -3.675 -1.866 1.664) 4.445 =================== 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 3/23400 10.0 94.700 107.050 67.195 0.000 -9.653 0.000 3/23400 20.0 19.294 20.033 15.068 0.000 -1.558 0.000 3/23400 30.0 8.813 8.658 7.245 0.000 -0.749 0.000 3/23400 40.0 5.493 5.263 4.683 0.000 -0.499 0.000 3/23400 50.0 3.980 3.767 3.479 0.000 -0.380 0.000 3/23400 60.0 3.133 2.948 2.785 0.000 -0.309 0.000 3/23400 70.0 2.592 2.432 2.332 0.000 -0.261 0.000 3/23400 80.0 2.215 2.077 2.010 0.000 -0.227 0.000 3/23400 90.0 1.936 1.817 1.769 0.000 -0.201 0.000 3/23400 100.0 1.722 1.616 1.581 0.000 -0.180 0.000 3/23400 110.0 1.551 1.457 1.429 0.000 -0.163 0.000 3/23400 120.0 1.411 1.328 1.305 0.000 -0.149 0.000 3/23400 130.0 1.295 1.220 1.201 0.000 -0.138 0.000 3/23400 140.0 1.197 1.129 1.113 0.000 -0.128 0.000 3/23400 150.0 1.114 1.051 1.036 0.000 -0.119 0.000 3/23400 160.0 1.041 0.983 0.970 0.000 -0.111 0.000 3/23400 170.0 0.978 0.924 0.912 0.000 -0.105 0.000 3/23400 180.0 0.922 0.872 0.861 0.000 -0.099 0.000 3/23400 190.0 0.873 0.825 0.815 0.000 -0.094 0.000 3/23400 200.0 0.829 0.784 0.775 0.000 -0.089 0.000 3/23400 210.0 0.789 0.746 0.738 0.000 -0.085 0.000 3/23400 220.0 0.753 0.713 0.704 0.000 -0.081 0.000 3/23400 230.0 0.721 0.682 0.674 0.000 -0.077 0.000 3/23400 240.0 0.691 0.654 0.646 0.000 -0.074 0.000 3/23400 250.0 0.664 0.628 0.621 0.000 -0.071 0.000 3/23400 260.0 0.638 0.604 0.597 0.000 -0.069 0.000 3/23400 270.0 0.615 0.582 0.576 0.000 -0.066 0.000 3/23400 280.0 0.594 0.562 0.555 0.000 -0.064 0.000 3/23400 290.0 0.574 0.543 0.537 0.000 -0.061 0.000 3/23400 300.0 0.555 0.525 0.519 0.000 -0.059 0.000 3/23400 310.0 0.538 0.509 0.503 0.000 -0.058 0.000 3/23400 320.0 0.522 0.493 0.488 0.000 -0.056 0.000 3/23400 330.0 0.506 0.479 0.473 0.000 -0.054 0.000 3/23400 340.0 0.492 0.465 0.460 0.000 -0.053 0.000 3/23400 350.0 0.479 0.452 0.447 0.000 -0.051 0.000 3/23400 360.0 0.466 0.440 0.435 0.000 -0.050 0.000 3/23400 370.0 0.454 0.428 0.423 0.000 -0.048 0.000 3/23400 380.0 0.442 0.417 0.413 0.000 -0.047 0.000 3/23400 390.0 0.431 0.407 0.402 0.000 -0.046 0.000 3/23400 400.0 0.421 0.397 0.393 0.000 -0.045 0.000 3/23400 410.0 0.411 0.388 0.383 0.000 -0.044 0.000 3/23400 420.0 0.402 0.379 0.374 0.000 -0.043 0.000 3/23400 430.0 0.393 0.370 0.366 0.000 -0.042 0.000 3/23400 440.0 0.384 0.362 0.358 0.000 -0.041 0.000 3/23400 450.0 0.376 0.354 0.350 0.000 -0.040 0.000 3/23400 460.0 0.368 0.347 0.343 0.000 -0.039 0.000 3/23400 470.0 0.360 0.340 0.336 0.000 -0.038 0.000 3/23400 480.0 0.353 0.333 0.329 0.000 -0.037 0.000 3/23400 490.0 0.346 0.326 0.322 0.000 -0.037 0.000 3/23400 500.0 0.340 0.320 0.316 0.000 -0.036 0.000 3/23400 510.0 0.333 0.314 0.310 0.000 -0.035 0.000 3/23400 520.0 0.327 0.308 0.304 0.000 -0.035 0.000 3/23400 530.0 0.321 0.302 0.299 0.000 -0.034 0.000 3/23400 540.0 0.315 0.297 0.293 0.000 -0.033 0.000 3/23400 550.0 0.310 0.291 0.288 0.000 -0.033 0.000 3/23400 560.0 0.304 0.286 0.283 0.000 -0.032 0.000 3/23400 570.0 0.299 0.281 0.278 0.000 -0.032 0.000 3/23400 580.0 0.294 0.277 0.273 0.000 -0.031 0.000 3/23400 590.0 0.289 0.272 0.269 0.000 -0.030 0.000 3/23400 600.0 0.285 0.268 0.265 0.000 -0.030 0.000 3/23400 610.0 0.280 0.263 0.260 0.000 -0.029 0.000 3/23400 620.0 0.276 0.259 0.256 0.000 -0.029 0.000 3/23400 630.0 0.271 0.255 0.252 0.000 -0.029 0.000 3/23400 640.0 0.267 0.251 0.248 0.000 -0.028 0.000 3/23400 650.0 0.263 0.247 0.245 0.000 -0.028 0.000 3/23400 660.0 0.259 0.244 0.241 0.000 -0.027 0.000 3/23400 670.0 0.256 0.240 0.237 0.000 -0.027 0.000 3/23400 680.0 0.252 0.237 0.234 0.000 -0.026 0.000 3/23400 690.0 0.249 0.233 0.231 0.000 -0.026 0.000 3/23400 700.0 0.245 0.230 0.227 0.000 -0.026 0.000 3/23400 710.0 0.242 0.227 0.224 0.000 -0.025 0.000 3/23400 720.0 0.238 0.224 0.221 0.000 -0.025 0.000 3/23400 730.0 0.235 0.221 0.218 0.000 -0.025 0.000 3/23400 740.0 0.232 0.218 0.215 0.000 -0.024 0.000 3/23400 750.0 0.229 0.215 0.213 0.000 -0.024 0.000 3/23400 760.0 0.226 0.212 0.210 0.000 -0.024 0.000 3/23400 770.0 0.223 0.210 0.207 0.000 -0.023 0.000 3/23400 780.0 0.220 0.207 0.204 0.000 -0.023 0.000 3/23400 790.0 0.218 0.204 0.202 0.000 -0.023 0.000 3/23400 800.0 0.215 0.202 0.199 0.000 -0.023 0.000 3/23400 810.0 0.212 0.199 0.197 0.000 -0.022 0.000 3/23400 820.0 0.210 0.197 0.195 0.000 -0.022 0.000 3/23400 830.0 0.207 0.195 0.192 0.000 -0.022 0.000 3/23400 840.0 0.205 0.192 0.190 0.000 -0.021 0.000 3/23400 850.0 0.203 0.190 0.188 0.000 -0.021 0.000 3/23400 860.0 0.200 0.188 0.186 0.000 -0.021 0.000 3/23400 870.0 0.198 0.186 0.184 0.000 -0.021 0.000 3/23400 880.0 0.196 0.184 0.182 0.000 -0.021 0.000 3/23400 890.0 0.194 0.182 0.180 0.000 -0.020 0.000 3/23400 900.0 0.192 0.180 0.178 0.000 -0.020 0.000 3/23400 910.0 0.190 0.178 0.176 0.000 -0.020 0.000 3/23400 920.0 0.188 0.176 0.174 0.000 -0.020 0.000 3/23400 930.0 0.186 0.174 0.172 0.000 -0.019 0.000 3/23400 940.0 0.184 0.172 0.170 0.000 -0.019 0.000 3/23400 950.0 0.182 0.170 0.168 0.000 -0.019 0.000 3/23400 960.0 0.180 0.169 0.167 0.000 -0.019 0.000 3/23400 970.0 0.178 0.167 0.165 0.000 -0.019 0.000 3/23400 980.0 0.176 0.165 0.163 0.000 -0.018 0.000 3/23400 990.0 0.174 0.164 0.162 0.000 -0.018 0.000 3/23400 1000.0 0.173 0.162 0.160 0.000 -0.018 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:59:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|