----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:15:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.095245399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909578850000000 Atomic positions (fractional): *1 Li 0.16388114918301 0.49825597716302 0.69720803909839 6.941 2 Li 0.33611885081699 0.50174402283698 0.19720803909839 6.941 3 Li 0.83611885081699 0.99825597716302 0.30279196090161 6.941 4 Li 0.66388114918301 0.00174402283698 0.80279196090161 6.941 5 Li 0.83611885081699 0.50174402283698 0.30279196090161 6.941 6 Li 0.66388114918301 0.49825597716302 0.80279196090161 6.941 7 Li 0.16388114918301 0.00174402283698 0.69720803909839 6.941 8 Li 0.33611885081699 0.99825597716302 0.19720803909839 6.941 *9 Li 0.42393329936284 0.25000000000000 0.79687549930833 6.941 10 Li 0.07606670063716 0.75000000000000 0.29687549930833 6.941 11 Li 0.57606670063716 0.75000000000000 0.20312450069167 6.941 12 Li 0.92393329936284 0.25000000000000 0.70312450069167 6.941 *13 O 0.58902039805573 0.25000000000000 0.62449998007602 15.999 *14 O 0.34107177976315 0.95802266977878 0.79557855676106 15.999 15 O 0.91097960194427 0.75000000000000 0.12449998007602 15.999 16 O 0.41097960194427 0.75000000000000 0.37550001992398 15.999 17 O 0.34107177976315 0.54197733022122 0.79557855676106 15.999 18 O 0.15892822023685 0.04197733022122 0.29557855676106 15.999 19 O 0.65892822023685 0.45802266977878 0.20442144323894 15.999 20 O 0.84107177976315 0.54197733022122 0.70442144323894 15.999 21 O 0.65892822023685 0.04197733022122 0.20442144323894 15.999 22 O 0.84107177976315 0.95802266977878 0.70442144323894 15.999 *23 O 0.55132596884205 0.75000000000000 0.79652567890568 15.999 24 O 0.15892822023685 0.45802266977878 0.29557855676106 15.999 25 O 0.05132596884205 0.75000000000000 0.70347432109432 15.999 26 O 0.44867403115795 0.25000000000000 0.20347432109432 15.999 27 O 0.94867403115795 0.25000000000000 0.29652567890568 15.999 28 O 0.08902039805573 0.25000000000000 0.87550001992398 15.999 *29 P 0.41171513832058 0.75000000000000 0.69197778411992 30.974 30 P 0.91171513832058 0.75000000000000 0.80802221588008 30.974 31 P 0.58828486167942 0.25000000000000 0.30802221588008 30.974 32 P 0.08828486167942 0.25000000000000 0.19197778411992 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.095245399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909578850000000 Atomic positions (fractional): *1 Li 0.16388114918301 0.49825597716302 0.69720803909839 6.941 > 1 2 Li 0.33611885081699 0.50174402283698 0.19720803909839 6.941 > 2 3 Li 0.83611885081699 0.99825597716302 0.30279196090161 6.941 > 3 4 Li 0.66388114918301 0.00174402283698 0.80279196090161 6.941 > 4 5 Li 0.83611885081699 0.50174402283698 0.30279196090161 6.941 > 5 6 Li 0.66388114918301 0.49825597716302 0.80279196090161 6.941 > 6 7 Li 0.16388114918301 0.00174402283698 0.69720803909839 6.941 > 7 8 Li 0.33611885081699 0.99825597716302 0.19720803909839 6.941 > 8 *9 Li 0.42393329936284 0.25000000000000 0.79687549930833 6.941 > 9 10 Li 0.07606670063716 0.75000000000000 0.29687549930833 6.941 > 10 11 Li 0.57606670063716 0.75000000000000 0.20312450069167 6.941 > 11 12 Li 0.92393329936284 0.25000000000000 0.70312450069167 6.941 > 12 *13 O 0.58902039805573 0.25000000000000 0.62449998007602 15.999 > 13 *14 O 0.34107177976315 0.95802266977878 0.79557855676106 15.999 > 14 15 O 0.91097960194427 0.75000000000000 0.12449998007602 15.999 > 15 16 O 0.41097960194427 0.75000000000000 0.37550001992398 15.999 > 16 17 O 0.34107177976315 0.54197733022122 0.79557855676106 15.999 > 17 18 O 0.15892822023685 0.04197733022122 0.29557855676106 15.999 > 18 19 O 0.65892822023685 0.45802266977878 0.20442144323894 15.999 > 19 20 O 0.84107177976315 0.54197733022122 0.70442144323894 15.999 > 20 21 O 0.65892822023685 0.04197733022122 0.20442144323894 15.999 > 21 22 O 0.84107177976315 0.95802266977878 0.70442144323894 15.999 > 22 *23 O 0.55132596884205 0.75000000000000 0.79652567890568 15.999 > 23 24 O 0.15892822023685 0.45802266977878 0.29557855676106 15.999 > 24 25 O 0.05132596884205 0.75000000000000 0.70347432109432 15.999 > 25 26 O 0.44867403115795 0.25000000000000 0.20347432109432 15.999 > 26 27 O 0.94867403115795 0.25000000000000 0.29652567890568 15.999 > 27 28 O 0.08902039805573 0.25000000000000 0.87550001992398 15.999 > 28 *29 P 0.41171513832058 0.75000000000000 0.69197778411992 30.974 > 29 30 P 0.91171513832058 0.75000000000000 0.80802221588008 30.974 > 30 31 P 0.58828486167942 0.25000000000000 0.30802221588008 30.974 > 31 32 P 0.08828486167942 0.25000000000000 0.19197778411992 30.974 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.190490799999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819157700000000 Atomic positions (fractional): *1 Li 0.16388114918301 0.24912798858151 0.34860401954919 6.941 > 1 2 Li 0.16388114918301 0.74912798858151 0.34860401954919 6.941 > 1 3 Li 0.16388114918301 0.24912798858151 0.84860401954919 6.941 > 1 4 Li 0.16388114918301 0.74912798858151 0.84860401954919 6.941 > 1 5 Li 0.33611885081699 0.25087201141849 0.09860401954919 6.941 > 2 6 Li 0.33611885081699 0.75087201141849 0.09860401954919 6.941 > 2 7 Li 0.33611885081699 0.25087201141849 0.59860401954919 6.941 > 2 8 Li 0.33611885081699 0.75087201141849 0.59860401954919 6.941 > 2 9 Li 0.83611885081699 0.49912798858151 0.15139598045081 6.941 > 3 10 Li 0.83611885081699 0.99912798858151 0.15139598045081 6.941 > 3 11 Li 0.83611885081699 0.49912798858151 0.65139598045081 6.941 > 3 12 Li 0.83611885081699 0.99912798858151 0.65139598045081 6.941 > 3 13 Li 0.66388114918301 0.00087201141849 0.40139598045081 6.941 > 4 14 Li 0.66388114918301 0.50087201141849 0.40139598045081 6.941 > 4 15 Li 0.66388114918301 0.00087201141849 0.90139598045081 6.941 > 4 16 Li 0.66388114918301 0.50087201141849 0.90139598045081 6.941 > 4 17 Li 0.83611885081699 0.25087201141849 0.15139598045081 6.941 > 5 18 Li 0.83611885081699 0.75087201141849 0.15139598045081 6.941 > 5 19 Li 0.83611885081699 0.25087201141849 0.65139598045081 6.941 > 5 20 Li 0.83611885081699 0.75087201141849 0.65139598045081 6.941 > 5 21 Li 0.66388114918301 0.24912798858151 0.40139598045081 6.941 > 6 22 Li 0.66388114918301 0.74912798858151 0.40139598045081 6.941 > 6 23 Li 0.66388114918301 0.24912798858151 0.90139598045081 6.941 > 6 24 Li 0.66388114918301 0.74912798858151 0.90139598045081 6.941 > 6 25 Li 0.16388114918301 0.00087201141849 0.34860401954919 6.941 > 7 26 Li 0.16388114918301 0.50087201141849 0.34860401954919 6.941 > 7 27 Li 0.16388114918301 0.00087201141849 0.84860401954919 6.941 > 7 28 Li 0.16388114918301 0.50087201141849 0.84860401954919 6.941 > 7 29 Li 0.33611885081699 0.49912798858151 0.09860401954919 6.941 > 8 30 Li 0.33611885081699 0.99912798858151 0.09860401954919 6.941 > 8 31 Li 0.33611885081699 0.49912798858151 0.59860401954919 6.941 > 8 32 Li 0.33611885081699 0.99912798858151 0.59860401954919 6.941 > 8 *33 Li 0.42393329936284 0.12500000000000 0.39843774965417 6.941 > 9 34 Li 0.42393329936284 0.62500000000000 0.39843774965417 6.941 > 9 35 Li 0.42393329936284 0.12500000000000 0.89843774965417 6.941 > 9 36 Li 0.42393329936284 0.62500000000000 0.89843774965417 6.941 > 9 37 Li 0.07606670063716 0.37500000000000 0.14843774965417 6.941 > 10 38 Li 0.07606670063716 0.87500000000000 0.14843774965417 6.941 > 10 39 Li 0.07606670063716 0.37500000000000 0.64843774965417 6.941 > 10 40 Li 0.07606670063716 0.87500000000000 0.64843774965417 6.941 > 10 41 Li 0.57606670063716 0.37500000000000 0.10156225034583 6.941 > 11 42 Li 0.57606670063716 0.87500000000000 0.10156225034583 6.941 > 11 43 Li 0.57606670063716 0.37500000000000 0.60156225034583 6.941 > 11 44 Li 0.57606670063716 0.87500000000000 0.60156225034583 6.941 > 11 45 Li 0.92393329936284 0.12500000000000 0.35156225034583 6.941 > 12 46 Li 0.92393329936284 0.62500000000000 0.35156225034583 6.941 > 12 47 Li 0.92393329936284 0.12500000000000 0.85156225034583 6.941 > 12 48 Li 0.92393329936284 0.62500000000000 0.85156225034583 6.941 > 12 *49 O 0.58902039805573 0.12500000000000 0.31224999003801 15.999 > 13 50 O 0.58902039805573 0.62500000000000 0.31224999003801 15.999 > 13 51 O 0.58902039805573 0.12500000000000 0.81224999003801 15.999 > 13 52 O 0.58902039805573 0.62500000000000 0.81224999003801 15.999 > 13 *53 O 0.34107177976315 0.47901133488939 0.39778927838053 15.999 > 14 54 O 0.34107177976315 0.97901133488939 0.39778927838053 15.999 > 14 55 O 0.34107177976315 0.47901133488939 0.89778927838053 15.999 > 14 56 O 0.34107177976315 0.97901133488939 0.89778927838053 15.999 > 14 57 O 0.91097960194427 0.37500000000000 0.06224999003801 15.999 > 15 58 O 0.91097960194427 0.87500000000000 0.06224999003801 15.999 > 15 59 O 0.91097960194427 0.37500000000000 0.56224999003801 15.999 > 15 60 O 0.91097960194427 0.87500000000000 0.56224999003801 15.999 > 15 61 O 0.41097960194427 0.37500000000000 0.18775000996199 15.999 > 16 62 O 0.41097960194427 0.87500000000000 0.18775000996199 15.999 > 16 63 O 0.41097960194427 0.37500000000000 0.68775000996199 15.999 > 16 64 O 0.41097960194427 0.87500000000000 0.68775000996199 15.999 > 16 65 O 0.34107177976315 0.27098866511061 0.39778927838053 15.999 > 17 66 O 0.34107177976315 0.77098866511061 0.39778927838053 15.999 > 17 67 O 0.34107177976315 0.27098866511061 0.89778927838053 15.999 > 17 68 O 0.34107177976315 0.77098866511061 0.89778927838053 15.999 > 17 69 O 0.15892822023685 0.02098866511061 0.14778927838053 15.999 > 18 70 O 0.15892822023685 0.52098866511061 0.14778927838053 15.999 > 18 71 O 0.15892822023685 0.02098866511061 0.64778927838053 15.999 > 18 72 O 0.15892822023685 0.52098866511061 0.64778927838053 15.999 > 18 73 O 0.65892822023685 0.22901133488939 0.10221072161947 15.999 > 19 74 O 0.65892822023685 0.72901133488939 0.10221072161947 15.999 > 19 75 O 0.65892822023685 0.22901133488939 0.60221072161947 15.999 > 19 76 O 0.65892822023685 0.72901133488939 0.60221072161947 15.999 > 19 77 O 0.84107177976315 0.27098866511061 0.35221072161947 15.999 > 20 78 O 0.84107177976315 0.77098866511061 0.35221072161947 15.999 > 20 79 O 0.84107177976315 0.27098866511061 0.85221072161947 15.999 > 20 80 O 0.84107177976315 0.77098866511061 0.85221072161947 15.999 > 20 81 O 0.65892822023685 0.02098866511061 0.10221072161947 15.999 > 21 82 O 0.65892822023685 0.52098866511061 0.10221072161947 15.999 > 21 83 O 0.65892822023685 0.02098866511061 0.60221072161947 15.999 > 21 84 O 0.65892822023685 0.52098866511061 0.60221072161947 15.999 > 21 85 O 0.84107177976315 0.47901133488939 0.35221072161947 15.999 > 22 86 O 0.84107177976315 0.97901133488939 0.35221072161947 15.999 > 22 87 O 0.84107177976315 0.47901133488939 0.85221072161947 15.999 > 22 88 O 0.84107177976315 0.97901133488939 0.85221072161947 15.999 > 22 *89 O 0.55132596884205 0.37500000000000 0.39826283945284 15.999 > 23 90 O 0.55132596884205 0.87500000000000 0.39826283945284 15.999 > 23 91 O 0.55132596884205 0.37500000000000 0.89826283945284 15.999 > 23 92 O 0.55132596884205 0.87500000000000 0.89826283945284 15.999 > 23 93 O 0.15892822023685 0.22901133488939 0.14778927838053 15.999 > 24 94 O 0.15892822023685 0.72901133488939 0.14778927838053 15.999 > 24 95 O 0.15892822023685 0.22901133488939 0.64778927838053 15.999 > 24 96 O 0.15892822023685 0.72901133488939 0.64778927838053 15.999 > 24 97 O 0.05132596884205 0.37500000000000 0.35173716054716 15.999 > 25 98 O 0.05132596884205 0.87500000000000 0.35173716054716 15.999 > 25 99 O 0.05132596884205 0.37500000000000 0.85173716054716 15.999 > 25 100 O 0.05132596884205 0.87500000000000 0.85173716054716 15.999 > 25 101 O 0.44867403115795 0.12500000000000 0.10173716054716 15.999 > 26 102 O 0.44867403115795 0.62500000000000 0.10173716054716 15.999 > 26 103 O 0.44867403115795 0.12500000000000 0.60173716054716 15.999 > 26 104 O 0.44867403115795 0.62500000000000 0.60173716054716 15.999 > 26 105 O 0.94867403115795 0.12500000000000 0.14826283945284 15.999 > 27 106 O 0.94867403115795 0.62500000000000 0.14826283945284 15.999 > 27 107 O 0.94867403115795 0.12500000000000 0.64826283945284 15.999 > 27 108 O 0.94867403115795 0.62500000000000 0.64826283945284 15.999 > 27 109 O 0.08902039805573 0.12500000000000 0.43775000996199 15.999 > 28 110 O 0.08902039805573 0.62500000000000 0.43775000996199 15.999 > 28 111 O 0.08902039805573 0.12500000000000 0.93775000996199 15.999 > 28 112 O 0.08902039805573 0.62500000000000 0.93775000996199 15.999 > 28 *113 P 0.41171513832058 0.37500000000000 0.34598889205996 30.974 > 29 114 P 0.41171513832058 0.87500000000000 0.34598889205996 30.974 > 29 115 P 0.41171513832058 0.37500000000000 0.84598889205996 30.974 > 29 116 P 0.41171513832058 0.87500000000000 0.84598889205996 30.974 > 29 117 P 0.91171513832058 0.37500000000000 0.40401110794004 30.974 > 30 118 P 0.91171513832058 0.87500000000000 0.40401110794004 30.974 > 30 119 P 0.91171513832058 0.37500000000000 0.90401110794004 30.974 > 30 120 P 0.91171513832058 0.87500000000000 0.90401110794004 30.974 > 30 121 P 0.58828486167942 0.12500000000000 0.15401110794004 30.974 > 31 122 P 0.58828486167942 0.62500000000000 0.15401110794004 30.974 > 31 123 P 0.58828486167942 0.12500000000000 0.65401110794004 30.974 > 31 124 P 0.58828486167942 0.62500000000000 0.65401110794004 30.974 > 31 125 P 0.08828486167942 0.12500000000000 0.09598889205996 30.974 > 32 126 P 0.08828486167942 0.62500000000000 0.09598889205996 30.974 > 32 127 P 0.08828486167942 0.12500000000000 0.59598889205996 30.974 > 32 128 P 0.08828486167942 0.62500000000000 0.59598889205996 30.974 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5163246 0.0000000 0.0000000 0.0000000 2.5413338 0.0000000 0.0000000 0.0000000 2.5652362 -------------------------- Born effective charges -------------------------- 1 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 2 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 3 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 4 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 5 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 6 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 7 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 8 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 9 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 10 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 11 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 12 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 13 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 14 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 15 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 16 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 17 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 18 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 19 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 20 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 21 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 22 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 23 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 24 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 25 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 26 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 27 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 28 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 29 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 30 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 31 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 32 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 480 - Time: 0.667 Solver_block: 200 / 480 - Time: 0.607 Solver_block: 300 / 480 - Time: 0.609 Solver_block: 400 / 480 - Time: 0.608 Solver_block: 480 / 480 - Time: 0.541 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.109 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:15:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:15:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.095245399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909578850000000 Atomic positions (fractional): 1 Li 0.16388114918301 0.49825597716302 0.69720803909839 6.941 2 Li 0.33611885081699 0.50174402283698 0.19720803909839 6.941 3 Li 0.83611885081699 0.99825597716302 0.30279196090161 6.941 4 Li 0.66388114918301 0.00174402283698 0.80279196090161 6.941 5 Li 0.83611885081699 0.50174402283698 0.30279196090161 6.941 6 Li 0.66388114918301 0.49825597716302 0.80279196090161 6.941 7 Li 0.16388114918301 0.00174402283698 0.69720803909839 6.941 8 Li 0.33611885081699 0.99825597716302 0.19720803909839 6.941 9 Li 0.42393329936284 0.25000000000000 0.79687549930833 6.941 10 Li 0.07606670063716 0.75000000000000 0.29687549930833 6.941 11 Li 0.57606670063716 0.75000000000000 0.20312450069167 6.941 12 Li 0.92393329936284 0.25000000000000 0.70312450069167 6.941 13 O 0.58902039805573 0.25000000000000 0.62449998007602 15.999 14 O 0.34107177976315 0.95802266977878 0.79557855676106 15.999 15 O 0.91097960194427 0.75000000000000 0.12449998007602 15.999 16 O 0.41097960194427 0.75000000000000 0.37550001992398 15.999 17 O 0.34107177976315 0.54197733022122 0.79557855676106 15.999 18 O 0.15892822023685 0.04197733022122 0.29557855676106 15.999 19 O 0.65892822023685 0.45802266977878 0.20442144323894 15.999 20 O 0.84107177976315 0.54197733022122 0.70442144323894 15.999 21 O 0.65892822023685 0.04197733022122 0.20442144323894 15.999 22 O 0.84107177976315 0.95802266977878 0.70442144323894 15.999 23 O 0.55132596884205 0.75000000000000 0.79652567890568 15.999 24 O 0.15892822023685 0.45802266977878 0.29557855676106 15.999 25 O 0.05132596884205 0.75000000000000 0.70347432109432 15.999 26 O 0.44867403115795 0.25000000000000 0.20347432109432 15.999 27 O 0.94867403115795 0.25000000000000 0.29652567890568 15.999 28 O 0.08902039805573 0.25000000000000 0.87550001992398 15.999 29 P 0.41171513832058 0.75000000000000 0.69197778411992 30.974 30 P 0.91171513832058 0.75000000000000 0.80802221588008 30.974 31 P 0.58828486167942 0.25000000000000 0.30802221588008 30.974 32 P 0.08828486167942 0.25000000000000 0.19197778411992 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.190490799999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819157700000000 Atomic positions (fractional): 1 Li 0.16388114918301 0.24912798858151 0.34860401954919 6.941 > 1 2 Li 0.16388114918301 0.74912798858151 0.34860401954919 6.941 > 1 3 Li 0.16388114918301 0.24912798858151 0.84860401954919 6.941 > 1 4 Li 0.16388114918301 0.74912798858151 0.84860401954919 6.941 > 1 5 Li 0.33611885081699 0.25087201141849 0.09860401954919 6.941 > 5 6 Li 0.33611885081699 0.75087201141849 0.09860401954919 6.941 > 5 7 Li 0.33611885081699 0.25087201141849 0.59860401954919 6.941 > 5 8 Li 0.33611885081699 0.75087201141849 0.59860401954919 6.941 > 5 9 Li 0.83611885081699 0.49912798858151 0.15139598045081 6.941 > 9 10 Li 0.83611885081699 0.99912798858151 0.15139598045081 6.941 > 9 11 Li 0.83611885081699 0.49912798858151 0.65139598045081 6.941 > 9 12 Li 0.83611885081699 0.99912798858151 0.65139598045081 6.941 > 9 13 Li 0.66388114918301 0.00087201141849 0.40139598045081 6.941 > 13 14 Li 0.66388114918301 0.50087201141849 0.40139598045081 6.941 > 13 15 Li 0.66388114918301 0.00087201141849 0.90139598045081 6.941 > 13 16 Li 0.66388114918301 0.50087201141849 0.90139598045081 6.941 > 13 17 Li 0.83611885081699 0.25087201141849 0.15139598045081 6.941 > 17 18 Li 0.83611885081699 0.75087201141849 0.15139598045081 6.941 > 17 19 Li 0.83611885081699 0.25087201141849 0.65139598045081 6.941 > 17 20 Li 0.83611885081699 0.75087201141849 0.65139598045081 6.941 > 17 21 Li 0.66388114918301 0.24912798858151 0.40139598045081 6.941 > 21 22 Li 0.66388114918301 0.74912798858151 0.40139598045081 6.941 > 21 23 Li 0.66388114918301 0.24912798858151 0.90139598045081 6.941 > 21 24 Li 0.66388114918301 0.74912798858151 0.90139598045081 6.941 > 21 25 Li 0.16388114918301 0.00087201141849 0.34860401954919 6.941 > 25 26 Li 0.16388114918301 0.50087201141849 0.34860401954919 6.941 > 25 27 Li 0.16388114918301 0.00087201141849 0.84860401954919 6.941 > 25 28 Li 0.16388114918301 0.50087201141849 0.84860401954919 6.941 > 25 29 Li 0.33611885081699 0.49912798858151 0.09860401954919 6.941 > 29 30 Li 0.33611885081699 0.99912798858151 0.09860401954919 6.941 > 29 31 Li 0.33611885081699 0.49912798858151 0.59860401954919 6.941 > 29 32 Li 0.33611885081699 0.99912798858151 0.59860401954919 6.941 > 29 33 Li 0.42393329936284 0.12500000000000 0.39843774965417 6.941 > 33 34 Li 0.42393329936284 0.62500000000000 0.39843774965417 6.941 > 33 35 Li 0.42393329936284 0.12500000000000 0.89843774965417 6.941 > 33 36 Li 0.42393329936284 0.62500000000000 0.89843774965417 6.941 > 33 37 Li 0.07606670063716 0.37500000000000 0.14843774965417 6.941 > 37 38 Li 0.07606670063716 0.87500000000000 0.14843774965417 6.941 > 37 39 Li 0.07606670063716 0.37500000000000 0.64843774965417 6.941 > 37 40 Li 0.07606670063716 0.87500000000000 0.64843774965417 6.941 > 37 41 Li 0.57606670063716 0.37500000000000 0.10156225034583 6.941 > 41 42 Li 0.57606670063716 0.87500000000000 0.10156225034583 6.941 > 41 43 Li 0.57606670063716 0.37500000000000 0.60156225034583 6.941 > 41 44 Li 0.57606670063716 0.87500000000000 0.60156225034583 6.941 > 41 45 Li 0.92393329936284 0.12500000000000 0.35156225034583 6.941 > 45 46 Li 0.92393329936284 0.62500000000000 0.35156225034583 6.941 > 45 47 Li 0.92393329936284 0.12500000000000 0.85156225034583 6.941 > 45 48 Li 0.92393329936284 0.62500000000000 0.85156225034583 6.941 > 45 49 O 0.58902039805573 0.12500000000000 0.31224999003801 15.999 > 49 50 O 0.58902039805573 0.62500000000000 0.31224999003801 15.999 > 49 51 O 0.58902039805573 0.12500000000000 0.81224999003801 15.999 > 49 52 O 0.58902039805573 0.62500000000000 0.81224999003801 15.999 > 49 53 O 0.34107177976315 0.47901133488939 0.39778927838053 15.999 > 53 54 O 0.34107177976315 0.97901133488939 0.39778927838053 15.999 > 53 55 O 0.34107177976315 0.47901133488939 0.89778927838053 15.999 > 53 56 O 0.34107177976315 0.97901133488939 0.89778927838053 15.999 > 53 57 O 0.91097960194427 0.37500000000000 0.06224999003801 15.999 > 57 58 O 0.91097960194427 0.87500000000000 0.06224999003801 15.999 > 57 59 O 0.91097960194427 0.37500000000000 0.56224999003801 15.999 > 57 60 O 0.91097960194427 0.87500000000000 0.56224999003801 15.999 > 57 61 O 0.41097960194427 0.37500000000000 0.18775000996199 15.999 > 61 62 O 0.41097960194427 0.87500000000000 0.18775000996199 15.999 > 61 63 O 0.41097960194427 0.37500000000000 0.68775000996199 15.999 > 61 64 O 0.41097960194427 0.87500000000000 0.68775000996199 15.999 > 61 65 O 0.34107177976315 0.27098866511061 0.39778927838053 15.999 > 65 66 O 0.34107177976315 0.77098866511061 0.39778927838053 15.999 > 65 67 O 0.34107177976315 0.27098866511061 0.89778927838053 15.999 > 65 68 O 0.34107177976315 0.77098866511061 0.89778927838053 15.999 > 65 69 O 0.15892822023685 0.02098866511061 0.14778927838053 15.999 > 69 70 O 0.15892822023685 0.52098866511061 0.14778927838053 15.999 > 69 71 O 0.15892822023685 0.02098866511061 0.64778927838053 15.999 > 69 72 O 0.15892822023685 0.52098866511061 0.64778927838053 15.999 > 69 73 O 0.65892822023685 0.22901133488939 0.10221072161947 15.999 > 73 74 O 0.65892822023685 0.72901133488939 0.10221072161947 15.999 > 73 75 O 0.65892822023685 0.22901133488939 0.60221072161947 15.999 > 73 76 O 0.65892822023685 0.72901133488939 0.60221072161947 15.999 > 73 77 O 0.84107177976315 0.27098866511061 0.35221072161947 15.999 > 77 78 O 0.84107177976315 0.77098866511061 0.35221072161947 15.999 > 77 79 O 0.84107177976315 0.27098866511061 0.85221072161947 15.999 > 77 80 O 0.84107177976315 0.77098866511061 0.85221072161947 15.999 > 77 81 O 0.65892822023685 0.02098866511061 0.10221072161947 15.999 > 81 82 O 0.65892822023685 0.52098866511061 0.10221072161947 15.999 > 81 83 O 0.65892822023685 0.02098866511061 0.60221072161947 15.999 > 81 84 O 0.65892822023685 0.52098866511061 0.60221072161947 15.999 > 81 85 O 0.84107177976315 0.47901133488939 0.35221072161947 15.999 > 85 86 O 0.84107177976315 0.97901133488939 0.35221072161947 15.999 > 85 87 O 0.84107177976315 0.47901133488939 0.85221072161947 15.999 > 85 88 O 0.84107177976315 0.97901133488939 0.85221072161947 15.999 > 85 89 O 0.55132596884205 0.37500000000000 0.39826283945284 15.999 > 89 90 O 0.55132596884205 0.87500000000000 0.39826283945284 15.999 > 89 91 O 0.55132596884205 0.37500000000000 0.89826283945284 15.999 > 89 92 O 0.55132596884205 0.87500000000000 0.89826283945284 15.999 > 89 93 O 0.15892822023685 0.22901133488939 0.14778927838053 15.999 > 93 94 O 0.15892822023685 0.72901133488939 0.14778927838053 15.999 > 93 95 O 0.15892822023685 0.22901133488939 0.64778927838053 15.999 > 93 96 O 0.15892822023685 0.72901133488939 0.64778927838053 15.999 > 93 97 O 0.05132596884205 0.37500000000000 0.35173716054716 15.999 > 97 98 O 0.05132596884205 0.87500000000000 0.35173716054716 15.999 > 97 99 O 0.05132596884205 0.37500000000000 0.85173716054716 15.999 > 97 100 O 0.05132596884205 0.87500000000000 0.85173716054716 15.999 > 97 101 O 0.44867403115795 0.12500000000000 0.10173716054716 15.999 > 101 102 O 0.44867403115795 0.62500000000000 0.10173716054716 15.999 > 101 103 O 0.44867403115795 0.12500000000000 0.60173716054716 15.999 > 101 104 O 0.44867403115795 0.62500000000000 0.60173716054716 15.999 > 101 105 O 0.94867403115795 0.12500000000000 0.14826283945284 15.999 > 105 106 O 0.94867403115795 0.62500000000000 0.14826283945284 15.999 > 105 107 O 0.94867403115795 0.12500000000000 0.64826283945284 15.999 > 105 108 O 0.94867403115795 0.62500000000000 0.64826283945284 15.999 > 105 109 O 0.08902039805573 0.12500000000000 0.43775000996199 15.999 > 109 110 O 0.08902039805573 0.62500000000000 0.43775000996199 15.999 > 109 111 O 0.08902039805573 0.12500000000000 0.93775000996199 15.999 > 109 112 O 0.08902039805573 0.62500000000000 0.93775000996199 15.999 > 109 113 P 0.41171513832058 0.37500000000000 0.34598889205996 30.974 > 113 114 P 0.41171513832058 0.87500000000000 0.34598889205996 30.974 > 113 115 P 0.41171513832058 0.37500000000000 0.84598889205996 30.974 > 113 116 P 0.41171513832058 0.87500000000000 0.84598889205996 30.974 > 113 117 P 0.91171513832058 0.37500000000000 0.40401110794004 30.974 > 117 118 P 0.91171513832058 0.87500000000000 0.40401110794004 30.974 > 117 119 P 0.91171513832058 0.37500000000000 0.90401110794004 30.974 > 117 120 P 0.91171513832058 0.87500000000000 0.90401110794004 30.974 > 117 121 P 0.58828486167942 0.12500000000000 0.15401110794004 30.974 > 121 122 P 0.58828486167942 0.62500000000000 0.15401110794004 30.974 > 121 123 P 0.58828486167942 0.12500000000000 0.65401110794004 30.974 > 121 124 P 0.58828486167942 0.62500000000000 0.65401110794004 30.974 > 121 125 P 0.08828486167942 0.12500000000000 0.09598889205996 30.974 > 125 126 P 0.08828486167942 0.62500000000000 0.09598889205996 30.974 > 125 127 P 0.08828486167942 0.12500000000000 0.59598889205996 30.974 > 125 128 P 0.08828486167942 0.62500000000000 0.59598889205996 30.974 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5163246 0.0000000 0.0000000 0.0000000 2.5413338 0.0000000 0.0000000 0.0000000 2.5652362 -------------------------- Born effective charges -------------------------- 1 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 2 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 3 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 4 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 5 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 6 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 7 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 8 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 9 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 10 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 11 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 12 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 13 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 14 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 15 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 16 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 17 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 18 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 19 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 20 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 21 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 22 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 23 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 24 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 25 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 26 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 27 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 28 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 29 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 30 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 31 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 32 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:16:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:16:08]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.095245399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909578850000000 Atomic positions (fractional): 1 Li 0.16388114918301 0.49825597716302 0.69720803909839 6.941 2 Li 0.33611885081699 0.50174402283698 0.19720803909839 6.941 3 Li 0.83611885081699 0.99825597716302 0.30279196090161 6.941 4 Li 0.66388114918301 0.00174402283698 0.80279196090161 6.941 5 Li 0.83611885081699 0.50174402283698 0.30279196090161 6.941 6 Li 0.66388114918301 0.49825597716302 0.80279196090161 6.941 7 Li 0.16388114918301 0.00174402283698 0.69720803909839 6.941 8 Li 0.33611885081699 0.99825597716302 0.19720803909839 6.941 9 Li 0.42393329936284 0.25000000000000 0.79687549930833 6.941 10 Li 0.07606670063716 0.75000000000000 0.29687549930833 6.941 11 Li 0.57606670063716 0.75000000000000 0.20312450069167 6.941 12 Li 0.92393329936284 0.25000000000000 0.70312450069167 6.941 13 O 0.58902039805573 0.25000000000000 0.62449998007602 15.999 14 O 0.34107177976315 0.95802266977878 0.79557855676106 15.999 15 O 0.91097960194427 0.75000000000000 0.12449998007602 15.999 16 O 0.41097960194427 0.75000000000000 0.37550001992398 15.999 17 O 0.34107177976315 0.54197733022122 0.79557855676106 15.999 18 O 0.15892822023685 0.04197733022122 0.29557855676106 15.999 19 O 0.65892822023685 0.45802266977878 0.20442144323894 15.999 20 O 0.84107177976315 0.54197733022122 0.70442144323894 15.999 21 O 0.65892822023685 0.04197733022122 0.20442144323894 15.999 22 O 0.84107177976315 0.95802266977878 0.70442144323894 15.999 23 O 0.55132596884205 0.75000000000000 0.79652567890568 15.999 24 O 0.15892822023685 0.45802266977878 0.29557855676106 15.999 25 O 0.05132596884205 0.75000000000000 0.70347432109432 15.999 26 O 0.44867403115795 0.25000000000000 0.20347432109432 15.999 27 O 0.94867403115795 0.25000000000000 0.29652567890568 15.999 28 O 0.08902039805573 0.25000000000000 0.87550001992398 15.999 29 P 0.41171513832058 0.75000000000000 0.69197778411992 30.974 30 P 0.91171513832058 0.75000000000000 0.80802221588008 30.974 31 P 0.58828486167942 0.25000000000000 0.30802221588008 30.974 32 P 0.08828486167942 0.25000000000000 0.19197778411992 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.460886880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.190490799999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.819157700000000 Atomic positions (fractional): 1 Li 0.16388114918301 0.24912798858151 0.34860401954919 6.941 > 1 2 Li 0.16388114918301 0.74912798858151 0.34860401954919 6.941 > 1 3 Li 0.16388114918301 0.24912798858151 0.84860401954919 6.941 > 1 4 Li 0.16388114918301 0.74912798858151 0.84860401954919 6.941 > 1 5 Li 0.33611885081699 0.25087201141849 0.09860401954919 6.941 > 5 6 Li 0.33611885081699 0.75087201141849 0.09860401954919 6.941 > 5 7 Li 0.33611885081699 0.25087201141849 0.59860401954919 6.941 > 5 8 Li 0.33611885081699 0.75087201141849 0.59860401954919 6.941 > 5 9 Li 0.83611885081699 0.49912798858151 0.15139598045081 6.941 > 9 10 Li 0.83611885081699 0.99912798858151 0.15139598045081 6.941 > 9 11 Li 0.83611885081699 0.49912798858151 0.65139598045081 6.941 > 9 12 Li 0.83611885081699 0.99912798858151 0.65139598045081 6.941 > 9 13 Li 0.66388114918301 0.00087201141849 0.40139598045081 6.941 > 13 14 Li 0.66388114918301 0.50087201141849 0.40139598045081 6.941 > 13 15 Li 0.66388114918301 0.00087201141849 0.90139598045081 6.941 > 13 16 Li 0.66388114918301 0.50087201141849 0.90139598045081 6.941 > 13 17 Li 0.83611885081699 0.25087201141849 0.15139598045081 6.941 > 17 18 Li 0.83611885081699 0.75087201141849 0.15139598045081 6.941 > 17 19 Li 0.83611885081699 0.25087201141849 0.65139598045081 6.941 > 17 20 Li 0.83611885081699 0.75087201141849 0.65139598045081 6.941 > 17 21 Li 0.66388114918301 0.24912798858151 0.40139598045081 6.941 > 21 22 Li 0.66388114918301 0.74912798858151 0.40139598045081 6.941 > 21 23 Li 0.66388114918301 0.24912798858151 0.90139598045081 6.941 > 21 24 Li 0.66388114918301 0.74912798858151 0.90139598045081 6.941 > 21 25 Li 0.16388114918301 0.00087201141849 0.34860401954919 6.941 > 25 26 Li 0.16388114918301 0.50087201141849 0.34860401954919 6.941 > 25 27 Li 0.16388114918301 0.00087201141849 0.84860401954919 6.941 > 25 28 Li 0.16388114918301 0.50087201141849 0.84860401954919 6.941 > 25 29 Li 0.33611885081699 0.49912798858151 0.09860401954919 6.941 > 29 30 Li 0.33611885081699 0.99912798858151 0.09860401954919 6.941 > 29 31 Li 0.33611885081699 0.49912798858151 0.59860401954919 6.941 > 29 32 Li 0.33611885081699 0.99912798858151 0.59860401954919 6.941 > 29 33 Li 0.42393329936284 0.12500000000000 0.39843774965417 6.941 > 33 34 Li 0.42393329936284 0.62500000000000 0.39843774965417 6.941 > 33 35 Li 0.42393329936284 0.12500000000000 0.89843774965417 6.941 > 33 36 Li 0.42393329936284 0.62500000000000 0.89843774965417 6.941 > 33 37 Li 0.07606670063716 0.37500000000000 0.14843774965417 6.941 > 37 38 Li 0.07606670063716 0.87500000000000 0.14843774965417 6.941 > 37 39 Li 0.07606670063716 0.37500000000000 0.64843774965417 6.941 > 37 40 Li 0.07606670063716 0.87500000000000 0.64843774965417 6.941 > 37 41 Li 0.57606670063716 0.37500000000000 0.10156225034583 6.941 > 41 42 Li 0.57606670063716 0.87500000000000 0.10156225034583 6.941 > 41 43 Li 0.57606670063716 0.37500000000000 0.60156225034583 6.941 > 41 44 Li 0.57606670063716 0.87500000000000 0.60156225034583 6.941 > 41 45 Li 0.92393329936284 0.12500000000000 0.35156225034583 6.941 > 45 46 Li 0.92393329936284 0.62500000000000 0.35156225034583 6.941 > 45 47 Li 0.92393329936284 0.12500000000000 0.85156225034583 6.941 > 45 48 Li 0.92393329936284 0.62500000000000 0.85156225034583 6.941 > 45 49 O 0.58902039805573 0.12500000000000 0.31224999003801 15.999 > 49 50 O 0.58902039805573 0.62500000000000 0.31224999003801 15.999 > 49 51 O 0.58902039805573 0.12500000000000 0.81224999003801 15.999 > 49 52 O 0.58902039805573 0.62500000000000 0.81224999003801 15.999 > 49 53 O 0.34107177976315 0.47901133488939 0.39778927838053 15.999 > 53 54 O 0.34107177976315 0.97901133488939 0.39778927838053 15.999 > 53 55 O 0.34107177976315 0.47901133488939 0.89778927838053 15.999 > 53 56 O 0.34107177976315 0.97901133488939 0.89778927838053 15.999 > 53 57 O 0.91097960194427 0.37500000000000 0.06224999003801 15.999 > 57 58 O 0.91097960194427 0.87500000000000 0.06224999003801 15.999 > 57 59 O 0.91097960194427 0.37500000000000 0.56224999003801 15.999 > 57 60 O 0.91097960194427 0.87500000000000 0.56224999003801 15.999 > 57 61 O 0.41097960194427 0.37500000000000 0.18775000996199 15.999 > 61 62 O 0.41097960194427 0.87500000000000 0.18775000996199 15.999 > 61 63 O 0.41097960194427 0.37500000000000 0.68775000996199 15.999 > 61 64 O 0.41097960194427 0.87500000000000 0.68775000996199 15.999 > 61 65 O 0.34107177976315 0.27098866511061 0.39778927838053 15.999 > 65 66 O 0.34107177976315 0.77098866511061 0.39778927838053 15.999 > 65 67 O 0.34107177976315 0.27098866511061 0.89778927838053 15.999 > 65 68 O 0.34107177976315 0.77098866511061 0.89778927838053 15.999 > 65 69 O 0.15892822023685 0.02098866511061 0.14778927838053 15.999 > 69 70 O 0.15892822023685 0.52098866511061 0.14778927838053 15.999 > 69 71 O 0.15892822023685 0.02098866511061 0.64778927838053 15.999 > 69 72 O 0.15892822023685 0.52098866511061 0.64778927838053 15.999 > 69 73 O 0.65892822023685 0.22901133488939 0.10221072161947 15.999 > 73 74 O 0.65892822023685 0.72901133488939 0.10221072161947 15.999 > 73 75 O 0.65892822023685 0.22901133488939 0.60221072161947 15.999 > 73 76 O 0.65892822023685 0.72901133488939 0.60221072161947 15.999 > 73 77 O 0.84107177976315 0.27098866511061 0.35221072161947 15.999 > 77 78 O 0.84107177976315 0.77098866511061 0.35221072161947 15.999 > 77 79 O 0.84107177976315 0.27098866511061 0.85221072161947 15.999 > 77 80 O 0.84107177976315 0.77098866511061 0.85221072161947 15.999 > 77 81 O 0.65892822023685 0.02098866511061 0.10221072161947 15.999 > 81 82 O 0.65892822023685 0.52098866511061 0.10221072161947 15.999 > 81 83 O 0.65892822023685 0.02098866511061 0.60221072161947 15.999 > 81 84 O 0.65892822023685 0.52098866511061 0.60221072161947 15.999 > 81 85 O 0.84107177976315 0.47901133488939 0.35221072161947 15.999 > 85 86 O 0.84107177976315 0.97901133488939 0.35221072161947 15.999 > 85 87 O 0.84107177976315 0.47901133488939 0.85221072161947 15.999 > 85 88 O 0.84107177976315 0.97901133488939 0.85221072161947 15.999 > 85 89 O 0.55132596884205 0.37500000000000 0.39826283945284 15.999 > 89 90 O 0.55132596884205 0.87500000000000 0.39826283945284 15.999 > 89 91 O 0.55132596884205 0.37500000000000 0.89826283945284 15.999 > 89 92 O 0.55132596884205 0.87500000000000 0.89826283945284 15.999 > 89 93 O 0.15892822023685 0.22901133488939 0.14778927838053 15.999 > 93 94 O 0.15892822023685 0.72901133488939 0.14778927838053 15.999 > 93 95 O 0.15892822023685 0.22901133488939 0.64778927838053 15.999 > 93 96 O 0.15892822023685 0.72901133488939 0.64778927838053 15.999 > 93 97 O 0.05132596884205 0.37500000000000 0.35173716054716 15.999 > 97 98 O 0.05132596884205 0.87500000000000 0.35173716054716 15.999 > 97 99 O 0.05132596884205 0.37500000000000 0.85173716054716 15.999 > 97 100 O 0.05132596884205 0.87500000000000 0.85173716054716 15.999 > 97 101 O 0.44867403115795 0.12500000000000 0.10173716054716 15.999 > 101 102 O 0.44867403115795 0.62500000000000 0.10173716054716 15.999 > 101 103 O 0.44867403115795 0.12500000000000 0.60173716054716 15.999 > 101 104 O 0.44867403115795 0.62500000000000 0.60173716054716 15.999 > 101 105 O 0.94867403115795 0.12500000000000 0.14826283945284 15.999 > 105 106 O 0.94867403115795 0.62500000000000 0.14826283945284 15.999 > 105 107 O 0.94867403115795 0.12500000000000 0.64826283945284 15.999 > 105 108 O 0.94867403115795 0.62500000000000 0.64826283945284 15.999 > 105 109 O 0.08902039805573 0.12500000000000 0.43775000996199 15.999 > 109 110 O 0.08902039805573 0.62500000000000 0.43775000996199 15.999 > 109 111 O 0.08902039805573 0.12500000000000 0.93775000996199 15.999 > 109 112 O 0.08902039805573 0.62500000000000 0.93775000996199 15.999 > 109 113 P 0.41171513832058 0.37500000000000 0.34598889205996 30.974 > 113 114 P 0.41171513832058 0.87500000000000 0.34598889205996 30.974 > 113 115 P 0.41171513832058 0.37500000000000 0.84598889205996 30.974 > 113 116 P 0.41171513832058 0.87500000000000 0.84598889205996 30.974 > 113 117 P 0.91171513832058 0.37500000000000 0.40401110794004 30.974 > 117 118 P 0.91171513832058 0.87500000000000 0.40401110794004 30.974 > 117 119 P 0.91171513832058 0.37500000000000 0.90401110794004 30.974 > 117 120 P 0.91171513832058 0.87500000000000 0.90401110794004 30.974 > 117 121 P 0.58828486167942 0.12500000000000 0.15401110794004 30.974 > 121 122 P 0.58828486167942 0.62500000000000 0.15401110794004 30.974 > 121 123 P 0.58828486167942 0.12500000000000 0.65401110794004 30.974 > 121 124 P 0.58828486167942 0.62500000000000 0.65401110794004 30.974 > 121 125 P 0.08828486167942 0.12500000000000 0.09598889205996 30.974 > 125 126 P 0.08828486167942 0.62500000000000 0.09598889205996 30.974 > 125 127 P 0.08828486167942 0.12500000000000 0.59598889205996 30.974 > 125 128 P 0.08828486167942 0.62500000000000 0.59598889205996 30.974 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5163246 0.0000000 0.0000000 0.0000000 2.5413338 0.0000000 0.0000000 0.0000000 2.5652362 -------------------------- Born effective charges -------------------------- 1 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 2 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 3 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 4 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 5 Li 1.0927298 -0.0464989 0.0406786 0.0718804 0.9546960 0.0335530 -0.0565222 -0.0523197 1.0483608 6 Li 1.0927298 -0.0464989 -0.0406786 0.0718804 0.9546960 -0.0335530 0.0565222 0.0523197 1.0483608 7 Li 1.0927298 0.0464989 0.0406786 -0.0718804 0.9546960 -0.0335530 -0.0565222 0.0523197 1.0483608 8 Li 1.0927298 0.0464989 -0.0406786 -0.0718804 0.9546960 0.0335530 0.0565222 -0.0523197 1.0483608 9 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 10 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 11 Li 0.9076297 0.0000000 0.0102059 0.0000000 1.1633111 0.0000000 -0.0825598 0.0000000 1.0811352 12 Li 0.9076297 0.0000000 -0.0102059 0.0000000 1.1633111 0.0000000 0.0825598 0.0000000 1.0811352 13 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 14 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 15 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 16 O -1.1364437 0.0000000 0.0158088 0.0000000 -1.2428648 0.0000000 0.0041442 0.0000000 -2.2117723 17 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 18 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 19 O -1.4544320 -0.3244671 0.1129313 -0.3895131 -1.8566990 0.2910220 0.1501407 0.2808310 -1.3505458 20 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 21 O -1.4544320 0.3244671 0.1129313 0.3895131 -1.8566990 -0.2910220 0.1501407 -0.2808310 -1.3505458 22 O -1.4544320 0.3244671 -0.1129313 0.3895131 -1.8566990 0.2910220 -0.1501407 0.2808310 -1.3505458 23 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 24 O -1.4544320 -0.3244671 -0.1129313 -0.3895131 -1.8566990 -0.2910220 -0.1501407 -0.2808310 -1.3505458 25 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 26 O -1.9994588 0.0000000 -0.3126897 0.0000000 -1.2735331 0.0000000 -0.3296470 0.0000000 -1.3606399 27 O -1.9994588 0.0000000 0.3126897 0.0000000 -1.2735331 0.0000000 0.3296470 0.0000000 -1.3606399 28 O -1.1364437 0.0000000 -0.0158088 0.0000000 -1.2428648 0.0000000 -0.0041442 0.0000000 -2.2117723 29 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 30 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 31 P 2.9516772 0.0000000 0.0061027 0.0000000 3.1570927 0.0000000 -0.0073115 0.0000000 3.0956470 32 P 2.9516772 0.0000000 -0.0061027 0.0000000 3.1570927 0.0000000 0.0073115 0.0000000 3.0956470 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] 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: 0.61, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 2.696 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 12.064 ( 0.000 0.000 0.000) 0.000 12.124 ( 0.000 0.000 0.000) 0.000 12.167 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 14.849 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.561 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 15.860 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.646 ( 0.000 0.000 0.000) 0.000 16.864 ( 0.000 0.000 0.000) 0.000 17.158 ( 0.000 0.000 0.000) 0.000 17.512 ( 0.000 0.000 0.000) 0.000 17.652 ( 0.000 0.000 0.000) 0.000 17.668 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 0.000) 0.000 17.934 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.404 ( 0.000 0.000 0.000) 0.000 18.467 ( 0.000 0.000 0.000) 0.000 18.530 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 27.406 ( 0.000 0.000 0.000) 0.000 27.433 ( 0.000 0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.685 ( 0.000 0.000 0.000) 0.000 29.612 ( 0.000 0.000 0.000) 0.000 29.777 ( 0.000 0.000 0.000) 0.000 29.778 ( 0.000 0.000 0.000) 0.000 29.841 ( 0.000 0.000 0.000) 0.000 30.125 ( 0.000 0.000 0.000) 0.000 30.186 ( 0.000 0.000 0.000) 0.000 30.274 ( 0.000 0.000 0.000) 0.000 30.519 ( 0.000 0.000 0.000) 0.000 30.674 ( 0.000 0.000 0.000) 0.000 30.910 ( 0.000 0.000 0.000) 0.000 31.027 ( 0.000 0.000 0.000) 0.000 33.535 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 38.943 0.000 0.000) 38.943 0.791 ( 41.143 0.000 0.000) 41.143 1.397 ( 71.561 0.000 0.000) 71.561 2.531 ( -16.657 0.000 0.000) 16.657 2.948 ( -28.696 0.000 0.000) 28.696 4.077 ( 14.221 0.000 0.000) 14.221 4.224 ( 8.915 0.000 0.000) 8.915 4.288 ( 20.942 0.000 0.000) 20.942 4.577 ( -28.166 0.000 0.000) 28.166 4.936 ( -6.379 0.000 0.000) 6.379 4.954 ( 23.018 0.000 0.000) 23.018 5.147 ( -17.129 0.000 0.000) 17.129 5.552 ( -6.354 0.000 0.000) 6.354 5.695 ( 3.770 0.000 0.000) 3.770 6.209 ( 17.864 0.000 0.000) 17.864 6.478 ( 0.974 0.000 0.000) 0.974 6.486 ( -9.183 0.000 0.000) 9.183 6.615 ( -22.858 0.000 0.000) 22.858 6.692 ( -6.849 0.000 0.000) 6.849 7.310 ( 9.124 0.000 0.000) 9.124 7.615 ( -17.379 0.000 0.000) 17.379 7.776 ( -4.571 0.000 0.000) 4.571 8.122 ( 17.713 0.000 0.000) 17.713 9.223 ( -8.428 0.000 0.000) 8.428 9.489 ( 1.135 0.000 0.000) 1.135 9.630 ( -2.473 0.000 0.000) 2.473 9.809 ( 1.522 0.000 0.000) 1.522 9.869 ( 2.414 0.000 0.000) 2.414 10.117 ( -5.261 0.000 0.000) 5.261 10.185 ( -13.738 0.000 0.000) 13.738 10.429 ( 7.917 0.000 0.000) 7.917 10.717 ( 5.375 0.000 0.000) 5.375 10.798 ( 2.465 0.000 0.000) 2.465 11.054 ( 21.618 0.000 0.000) 21.618 11.312 ( -13.680 0.000 0.000) 13.680 11.401 ( -7.845 0.000 0.000) 7.845 11.725 ( -9.503 0.000 0.000) 9.503 12.003 ( 1.344 0.000 0.000) 1.344 12.164 ( 13.533 0.000 0.000) 13.533 12.166 ( 0.607 0.000 0.000) 0.607 12.247 ( -13.034 0.000 0.000) 13.034 12.339 ( 10.735 0.000 0.000) 10.735 12.360 ( 11.595 0.000 0.000) 11.595 12.584 ( -1.124 0.000 0.000) 1.124 12.682 ( 2.136 0.000 0.000) 2.136 12.944 ( -6.435 0.000 0.000) 6.435 13.027 ( 2.732 0.000 0.000) 2.732 13.066 ( 3.885 0.000 0.000) 3.885 13.407 ( -3.133 0.000 0.000) 3.133 13.590 ( 4.184 0.000 0.000) 4.184 13.909 ( -22.666 0.000 0.000) 22.666 14.029 ( 20.327 0.000 0.000) 20.327 14.075 ( -1.081 0.000 0.000) 1.081 14.310 ( -0.740 0.000 0.000) 0.740 14.366 ( -2.553 0.000 0.000) 2.553 14.526 ( 0.471 0.000 0.000) 0.471 14.707 ( 17.552 0.000 0.000) 17.552 14.741 ( -3.270 0.000 0.000) 3.270 14.816 ( -3.581 0.000 0.000) 3.581 14.903 ( 2.205 0.000 0.000) 2.205 14.917 ( 0.187 0.000 0.000) 0.187 15.415 ( -7.970 0.000 0.000) 7.970 15.666 ( 5.336 0.000 0.000) 5.336 15.754 ( -2.335 0.000 0.000) 2.335 15.849 ( -1.132 0.000 0.000) 1.132 16.323 ( -6.380 0.000 0.000) 6.380 16.627 ( -1.828 0.000 0.000) 1.828 16.678 ( -15.652 0.000 0.000) 15.652 16.857 ( 4.530 0.000 0.000) 4.530 17.140 ( -2.007 0.000 0.000) 2.007 17.538 ( 2.543 0.000 0.000) 2.543 17.697 ( -1.323 0.000 0.000) 1.323 17.779 ( 6.992 0.000 0.000) 6.992 17.927 ( -0.752 0.000 0.000) 0.752 18.195 ( 7.141 0.000 0.000) 7.141 18.408 ( 0.376 0.000 0.000) 0.376 18.458 ( -0.822 0.000 0.000) 0.822 18.516 ( -1.586 0.000 0.000) 1.586 19.259 ( 4.761 0.000 0.000) 4.761 19.675 ( -4.802 0.000 0.000) 4.802 27.409 ( 0.277 0.000 0.000) 0.277 27.430 ( -0.257 0.000 0.000) 0.257 27.538 ( 1.598 0.000 0.000) 1.598 27.670 ( -1.535 0.000 0.000) 1.535 29.626 ( 1.380 0.000 0.000) 1.380 29.759 ( -1.864 0.000 0.000) 1.864 29.785 ( 0.845 0.000 0.000) 0.845 29.837 ( -0.403 0.000 0.000) 0.403 30.148 ( 2.187 0.000 0.000) 2.187 30.189 ( 0.274 0.000 0.000) 0.274 30.294 ( 0.380 0.000 0.000) 0.380 30.487 ( -3.274 0.000 0.000) 3.274 30.700 ( 2.535 0.000 0.000) 2.535 30.890 ( -2.074 0.000 0.000) 2.074 33.548 ( 1.321 0.000 0.000) 1.321 33.654 ( -1.229 0.000 0.000) 1.229 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 35.438 0.000 0.000) 35.438 1.568 ( 39.868 0.000 0.000) 39.868 2.091 ( -28.478 0.000 0.000) 28.478 2.306 ( -36.911 0.000 0.000) 36.911 2.704 ( 64.236 0.000 0.000) 64.236 3.812 ( -50.390 0.000 0.000) 50.390 4.406 ( 18.005 0.000 0.000) 18.005 4.457 ( 14.294 0.000 0.000) 14.294 4.749 ( -12.678 0.000 0.000) 12.678 4.781 ( 28.030 0.000 0.000) 28.030 4.806 ( -17.449 0.000 0.000) 17.449 5.269 ( -21.340 0.000 0.000) 21.340 5.455 ( 27.607 0.000 0.000) 27.607 5.833 ( 1.237 0.000 0.000) 1.237 6.156 ( -16.800 0.000 0.000) 16.800 6.255 ( -13.617 0.000 0.000) 13.617 6.394 ( 4.949 0.000 0.000) 4.949 6.530 ( -8.961 0.000 0.000) 8.961 6.743 ( 23.104 0.000 0.000) 23.104 7.204 ( -23.957 0.000 0.000) 23.957 7.487 ( 9.224 0.000 0.000) 9.224 7.654 ( -7.909 0.000 0.000) 7.909 8.535 ( 23.635 0.000 0.000) 23.635 8.959 ( -19.064 0.000 0.000) 19.064 9.522 ( 2.319 0.000 0.000) 2.319 9.575 ( -3.056 0.000 0.000) 3.056 9.858 ( 3.844 0.000 0.000) 3.844 9.931 ( 3.978 0.000 0.000) 3.978 9.970 ( -8.356 0.000 0.000) 8.356 10.018 ( -4.969 0.000 0.000) 4.969 10.601 ( 9.590 0.000 0.000) 9.590 10.752 ( -4.040 0.000 0.000) 4.040 10.875 ( 5.701 0.000 0.000) 5.701 11.025 ( -10.236 0.000 0.000) 10.236 11.333 ( 3.779 0.000 0.000) 3.779 11.508 ( -11.942 0.000 0.000) 11.942 11.553 ( 23.382 0.000 0.000) 23.382 11.954 ( -18.050 0.000 0.000) 18.050 12.087 ( 5.215 0.000 0.000) 5.215 12.157 ( -1.910 0.000 0.000) 1.910 12.331 ( 7.178 0.000 0.000) 7.178 12.474 ( -7.582 0.000 0.000) 7.582 12.566 ( 10.581 0.000 0.000) 10.581 12.611 ( 12.007 0.000 0.000) 12.007 12.723 ( -0.538 0.000 0.000) 0.538 12.774 ( -10.642 0.000 0.000) 10.642 13.142 ( 10.339 0.000 0.000) 10.339 13.170 ( 6.439 0.000 0.000) 6.439 13.320 ( -5.213 0.000 0.000) 5.213 13.485 ( -20.612 0.000 0.000) 20.612 13.762 ( 12.328 0.000 0.000) 12.328 13.987 ( -9.088 0.000 0.000) 9.088 14.300 ( -0.038 0.000 0.000) 0.038 14.318 ( -1.946 0.000 0.000) 1.946 14.404 ( 14.739 0.000 0.000) 14.739 14.519 ( -0.994 0.000 0.000) 0.994 14.690 ( -0.656 0.000 0.000) 0.656 14.744 ( -3.992 0.000 0.000) 3.992 14.942 ( 1.596 0.000 0.000) 1.596 14.943 ( 1.583 0.000 0.000) 1.583 15.008 ( 13.910 0.000 0.000) 13.910 15.240 ( -10.508 0.000 0.000) 10.508 15.755 ( 3.915 0.000 0.000) 3.915 15.756 ( 5.156 0.000 0.000) 5.156 15.816 ( -2.428 0.000 0.000) 2.428 16.015 ( -20.279 0.000 0.000) 20.279 16.552 ( 0.173 0.000 0.000) 0.173 16.584 ( -2.403 0.000 0.000) 2.403 16.969 ( 6.350 0.000 0.000) 6.350 17.077 ( -4.606 0.000 0.000) 4.606 17.598 ( 3.453 0.000 0.000) 3.453 17.659 ( -2.695 0.000 0.000) 2.695 17.868 ( 2.791 0.000 0.000) 2.791 17.906 ( -1.426 0.000 0.000) 1.426 18.350 ( 7.658 0.000 0.000) 7.658 18.419 ( 0.845 0.000 0.000) 0.845 18.439 ( -1.127 0.000 0.000) 1.127 18.463 ( -4.147 0.000 0.000) 4.147 19.387 ( 8.132 0.000 0.000) 8.132 19.548 ( -8.067 0.000 0.000) 8.067 27.416 ( 0.397 0.000 0.000) 0.397 27.424 ( -0.397 0.000 0.000) 0.397 27.579 ( 2.591 0.000 0.000) 2.591 27.630 ( -2.540 0.000 0.000) 2.540 29.663 ( 2.410 0.000 0.000) 2.410 29.713 ( -2.696 0.000 0.000) 2.696 29.805 ( 1.123 0.000 0.000) 1.123 29.825 ( -0.864 0.000 0.000) 0.864 30.188 ( 1.293 0.000 0.000) 1.293 30.195 ( 0.228 0.000 0.000) 0.228 30.322 ( 3.095 0.000 0.000) 3.095 30.405 ( -4.870 0.000 0.000) 4.870 30.763 ( 3.793 0.000 0.000) 3.793 30.835 ( -3.521 0.000 0.000) 3.521 33.582 ( 2.086 0.000 0.000) 2.086 33.622 ( -2.030 0.000 0.000) 2.030 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 41.697 0.000) 41.697 0.963 ( 0.000 46.804 0.000) 46.804 1.476 ( 0.000 70.504 0.000) 70.504 2.767 ( 0.000 6.937 0.000) 6.937 3.278 ( 0.000 4.521 0.000) 4.521 4.112 ( 0.000 16.301 0.000) 16.301 4.134 ( 0.000 5.644 0.000) 5.644 4.403 ( 0.000 23.535 0.000) 23.535 4.701 ( 0.000 1.151 0.000) 1.151 5.026 ( 0.000 -19.450 0.000) 19.450 5.032 ( 0.000 15.808 0.000) 15.808 5.214 ( 0.000 19.806 0.000) 19.806 5.586 ( 0.000 -12.408 0.000) 12.408 5.895 ( 0.000 -4.800 0.000) 4.800 5.935 ( 0.000 23.020 0.000) 23.020 6.167 ( 0.000 -26.934 0.000) 26.934 6.516 ( 0.000 2.054 0.000) 2.054 7.058 ( 0.000 15.074 0.000) 15.074 7.070 ( 0.000 15.474 0.000) 15.474 7.286 ( 0.000 9.760 0.000) 9.760 7.538 ( 0.000 -16.421 0.000) 16.421 7.897 ( 0.000 -4.036 0.000) 4.036 7.929 ( 0.000 2.274 0.000) 2.274 9.154 ( 0.000 -10.520 0.000) 10.520 9.522 ( 0.000 0.855 0.000) 0.855 9.629 ( 0.000 -1.521 0.000) 1.521 9.821 ( 0.000 -2.234 0.000) 2.234 9.867 ( 0.000 5.496 0.000) 5.496 9.973 ( 0.000 -16.303 0.000) 16.303 10.192 ( 0.000 0.525 0.000) 0.525 10.470 ( 0.000 2.368 0.000) 2.368 10.597 ( 0.000 -4.436 0.000) 4.436 10.813 ( 0.000 3.414 0.000) 3.414 10.913 ( 0.000 12.304 0.000) 12.304 11.388 ( 0.000 -9.294 0.000) 9.294 11.600 ( 0.000 1.454 0.000) 1.454 11.683 ( 0.000 -10.348 0.000) 10.348 11.925 ( 0.000 -19.104 0.000) 19.104 11.985 ( 0.000 -6.468 0.000) 6.468 11.995 ( 0.000 3.171 0.000) 3.171 12.031 ( 0.000 -4.079 0.000) 4.079 12.320 ( 0.000 3.792 0.000) 3.792 12.469 ( 0.000 1.060 0.000) 1.060 12.595 ( 0.000 9.880 0.000) 9.880 12.806 ( 0.000 7.667 0.000) 7.667 12.969 ( 0.000 3.323 0.000) 3.323 13.049 ( 0.000 1.633 0.000) 1.633 13.352 ( 0.000 7.709 0.000) 7.709 13.615 ( 0.000 -3.162 0.000) 3.162 13.679 ( 0.000 7.109 0.000) 7.109 13.759 ( 0.000 -1.706 0.000) 1.706 14.217 ( 0.000 -11.424 0.000) 11.424 14.261 ( 0.000 -2.227 0.000) 2.227 14.298 ( 0.000 -17.995 0.000) 17.995 14.429 ( 0.000 6.819 0.000) 6.819 14.474 ( 0.000 7.203 0.000) 7.203 14.766 ( 0.000 -1.343 0.000) 1.343 14.822 ( 0.000 -0.829 0.000) 0.829 14.874 ( 0.000 -0.123 0.000) 0.123 14.922 ( 0.000 0.100 0.000) 0.100 15.023 ( 0.000 1.241 0.000) 1.241 15.233 ( 0.000 11.129 0.000) 11.129 15.510 ( 0.000 -17.680 0.000) 17.680 15.572 ( 0.000 0.854 0.000) 0.854 16.029 ( 0.000 8.090 0.000) 8.090 16.032 ( 0.000 -4.608 0.000) 4.608 16.277 ( 0.000 -7.423 0.000) 7.423 16.781 ( 0.000 12.230 0.000) 12.230 16.887 ( 0.000 2.336 0.000) 2.336 17.217 ( 0.000 5.531 0.000) 5.531 17.451 ( 0.000 -17.834 0.000) 17.834 17.638 ( 0.000 -1.118 0.000) 1.118 17.641 ( 0.000 -2.629 0.000) 2.629 18.068 ( 0.000 6.249 0.000) 6.249 18.099 ( 0.000 -2.507 0.000) 2.507 18.457 ( 0.000 4.792 0.000) 4.792 18.517 ( 0.000 2.609 0.000) 2.609 18.532 ( 0.000 1.820 0.000) 1.820 18.985 ( 0.000 -0.640 0.000) 0.640 19.645 ( 0.000 -7.052 0.000) 7.052 27.417 ( 0.000 1.023 0.000) 1.023 27.447 ( 0.000 1.406 0.000) 1.406 27.519 ( 0.000 -0.133 0.000) 0.133 27.684 ( 0.000 -0.133 0.000) 0.133 29.726 ( 0.000 -3.186 0.000) 3.186 29.771 ( 0.000 -0.505 0.000) 0.505 29.889 ( 0.000 2.881 0.000) 2.881 30.122 ( 0.000 -7.729 0.000) 7.729 30.142 ( 0.000 1.702 0.000) 1.702 30.192 ( 0.000 -6.932 0.000) 6.932 30.246 ( 0.000 -10.196 0.000) 10.196 30.805 ( 0.000 -5.784 0.000) 5.784 31.082 ( 0.000 24.488 0.000) 24.488 31.228 ( 0.000 14.102 0.000) 14.102 32.698 ( 0.000 -3.181 0.000) 3.181 33.450 ( 0.000 -8.026 0.000) 8.026 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 24.222 27.676 0.000) 36.778 1.239 ( 25.478 35.639 0.000) 43.810 2.040 ( 48.622 51.518 0.000) 70.839 2.607 ( -16.010 7.108 0.000) 17.517 3.026 ( -24.167 8.098 0.000) 25.488 4.233 ( 9.739 15.092 0.000) 17.962 4.291 ( 16.239 4.348 0.000) 16.811 4.413 ( 5.168 11.665 0.000) 12.759 4.811 ( -20.734 12.659 0.000) 24.293 4.918 ( -9.467 -8.885 0.000) 12.983 5.000 ( 24.359 6.702 0.000) 25.264 5.157 ( -5.998 19.954 0.000) 20.836 5.508 ( -8.851 -9.633 0.000) 13.082 5.801 ( -4.920 4.642 0.000) 6.764 6.075 ( -8.759 -26.240 0.000) 27.663 6.122 ( 10.605 1.942 0.000) 10.782 6.552 ( 5.279 6.148 0.000) 8.103 6.838 ( -16.191 16.629 0.000) 23.210 6.996 ( -6.993 15.672 0.000) 17.161 7.361 ( 5.203 5.330 0.000) 7.448 7.468 ( -8.012 -11.857 0.000) 14.310 7.814 ( -10.305 1.427 0.000) 10.404 8.093 ( 18.085 -2.909 0.000) 18.318 9.108 ( -5.942 -9.388 0.000) 11.111 9.502 ( -1.207 -0.482 0.000) 1.300 9.603 ( -2.464 -1.679 0.000) 2.981 9.831 ( 1.198 -1.025 0.000) 1.576 9.902 ( 3.324 5.092 0.000) 6.081 10.008 ( -0.480 -11.554 0.000) 11.564 10.236 ( 0.276 -0.089 0.000) 0.290 10.304 ( -4.443 0.979 0.000) 4.550 10.655 ( 4.525 -5.139 0.000) 6.847 10.839 ( 2.752 3.696 0.000) 4.608 11.159 ( 16.846 7.064 0.000) 18.267 11.289 ( -8.285 -9.773 0.000) 12.812 11.393 ( -11.530 2.950 0.000) 11.902 11.650 ( -11.667 -2.336 0.000) 11.899 11.877 ( 1.308 -11.789 0.000) 11.861 11.958 ( 7.770 -12.151 0.000) 14.423 12.136 ( 7.441 -14.763 0.000) 16.533 12.259 ( 7.117 2.355 0.000) 7.496 12.308 ( -10.219 4.880 0.000) 11.325 12.349 ( 8.472 1.558 0.000) 8.614 12.697 ( 1.811 8.477 0.000) 8.668 12.800 ( 1.724 7.114 0.000) 7.319 12.919 ( -4.913 2.309 0.000) 5.428 13.092 ( 4.981 2.507 0.000) 5.576 13.282 ( -5.038 9.580 0.000) 10.824 13.565 ( -5.649 6.438 0.000) 8.566 13.660 ( 2.926 4.351 0.000) 5.243 13.825 ( -13.813 -4.453 0.000) 14.514 14.076 ( 12.929 1.631 0.000) 13.032 14.128 ( -9.479 -0.348 0.000) 9.485 14.285 ( -0.254 -3.334 0.000) 3.344 14.419 ( -2.680 -1.352 0.000) 3.002 14.528 ( -10.221 7.140 0.000) 12.468 14.679 ( 15.923 -0.667 0.000) 15.937 14.717 ( -4.313 -2.040 0.000) 4.771 14.845 ( -3.007 3.558 0.000) 4.658 14.904 ( 2.437 0.088 0.000) 2.439 14.913 ( 0.737 -0.073 0.000) 0.740 15.431 ( -10.220 0.487 0.000) 10.231 15.508 ( 0.196 -16.018 0.000) 16.020 15.613 ( 8.498 -2.582 0.000) 8.882 16.013 ( -1.593 8.136 0.000) 8.290 16.188 ( -6.070 -12.376 0.000) 13.784 16.495 ( 20.422 -10.261 0.000) 22.855 16.756 ( -2.360 11.895 0.000) 12.127 16.840 ( -2.652 2.998 0.000) 4.003 17.193 ( -2.762 4.510 0.000) 5.288 17.454 ( 0.424 -16.446 0.000) 16.451 17.534 ( -5.032 0.102 0.000) 5.033 17.757 ( 8.443 -2.564 0.000) 8.823 18.041 ( -2.653 5.175 0.000) 5.816 18.162 ( 6.391 -3.026 0.000) 7.071 18.439 ( -0.340 4.046 0.000) 4.060 18.506 ( -1.285 1.954 0.000) 2.339 18.517 ( -1.575 2.076 0.000) 2.606 19.145 ( 10.628 -5.455 0.000) 11.946 19.602 ( -4.414 -6.676 0.000) 8.003 27.420 ( 0.287 1.057 0.000) 1.095 27.444 ( -0.307 1.361 0.000) 1.395 27.535 ( 1.618 -0.128 0.000) 1.623 27.669 ( -1.546 -0.135 0.000) 1.552 29.728 ( 0.166 -2.102 0.000) 2.108 29.769 ( -0.335 -0.447 0.000) 0.559 29.857 ( -2.674 0.782 0.000) 2.786 30.044 ( -16.411 8.661 0.000) 18.556 30.123 ( -0.015 -6.618 0.000) 6.618 30.143 ( -1.354 -3.007 0.000) 3.298 30.283 ( 3.270 -7.902 0.000) 8.552 30.404 ( -10.842 13.055 0.000) 16.970 31.064 ( -1.614 23.609 0.000) 23.664 31.065 ( -3.236 17.181 0.000) 17.483 33.217 ( 21.487 -25.221 0.000) 33.133 33.456 ( 0.515 -8.667 0.000) 8.682 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 30.603 14.030 0.000) 33.666 1.816 ( 32.446 22.348 0.000) 39.398 2.193 ( -25.889 9.256 0.000) 27.494 2.462 ( -32.513 14.578 0.000) 35.632 3.064 ( 54.244 32.805 0.000) 63.392 4.005 ( -40.212 19.011 0.000) 44.479 4.531 ( 9.835 3.765 0.000) 10.531 4.676 ( 11.023 14.552 0.000) 18.255 4.732 ( -7.848 0.518 0.000) 7.865 4.752 ( 25.165 -2.106 0.000) 25.253 4.972 ( -12.560 20.722 0.000) 24.231 5.222 ( -20.746 -4.103 0.000) 21.148 5.520 ( 28.247 5.428 0.000) 28.763 5.763 ( 1.742 -13.550 0.000) 13.662 5.886 ( -9.178 -20.533 0.000) 22.490 6.038 ( -21.119 6.538 0.000) 22.107 6.663 ( 5.267 15.476 0.000) 16.348 6.827 ( -9.944 15.839 0.000) 18.701 6.829 ( 18.053 6.845 0.000) 19.307 7.208 ( -18.599 -0.544 0.000) 18.607 7.474 ( 6.742 -0.178 0.000) 6.745 7.621 ( -8.842 -2.158 0.000) 9.102 8.497 ( 22.376 -3.875 0.000) 22.709 8.888 ( -17.024 -6.658 0.000) 18.280 9.503 ( 1.439 -1.823 0.000) 2.322 9.548 ( -2.941 -1.937 0.000) 3.522 9.872 ( 3.167 -0.670 0.000) 3.237 9.949 ( -4.500 -3.301 0.000) 5.581 9.981 ( 4.799 5.766 0.000) 7.502 10.088 ( -6.837 6.785 0.000) 9.633 10.470 ( 11.559 -9.171 0.000) 14.755 10.660 ( -6.155 -7.510 0.000) 9.710 10.923 ( 6.336 4.487 0.000) 7.763 11.093 ( -11.341 4.902 0.000) 12.355 11.224 ( 4.386 -8.921 0.000) 9.941 11.404 ( -11.503 -6.151 0.000) 13.044 11.592 ( 17.882 0.505 0.000) 17.889 11.864 ( -7.559 -8.127 0.000) 11.099 12.101 ( 6.306 -7.915 0.000) 10.119 12.171 ( -2.034 7.128 0.000) 7.413 12.216 ( 0.994 -17.082 0.000) 17.111 12.257 ( -2.623 -2.573 0.000) 3.674 12.612 ( 10.839 -0.878 0.000) 10.875 12.675 ( -0.897 5.080 0.000) 5.159 12.817 ( -3.423 4.767 0.000) 5.868 12.832 ( -0.715 7.245 0.000) 7.280 13.239 ( 9.450 5.748 0.000) 11.061 13.251 ( 3.542 6.103 0.000) 7.057 13.420 ( -8.885 8.605 0.000) 12.369 13.456 ( -16.793 -2.589 0.000) 16.992 13.845 ( 11.991 7.396 0.000) 14.088 14.042 ( -5.115 3.518 0.000) 6.208 14.229 ( -0.569 -5.334 0.000) 5.364 14.269 ( -7.606 -2.537 0.000) 8.018 14.463 ( 15.999 2.701 0.000) 16.226 14.507 ( 3.395 -3.339 0.000) 4.762 14.625 ( -3.760 -5.635 0.000) 6.774 14.737 ( -8.080 0.673 0.000) 8.108 14.941 ( 5.255 -0.981 0.000) 5.346 14.949 ( 1.624 1.024 0.000) 1.920 14.963 ( 9.778 -1.598 0.000) 9.908 15.209 ( -12.813 -2.746 0.000) 13.104 15.548 ( 4.901 -12.257 0.000) 13.200 15.663 ( -3.524 -7.144 0.000) 7.966 15.980 ( -1.248 7.285 0.000) 7.391 16.018 ( -7.195 -0.918 0.000) 7.253 16.660 ( 1.908 9.659 0.000) 9.846 16.703 ( -2.823 11.370 0.000) 11.716 16.934 ( 9.978 -4.103 0.000) 10.789 17.102 ( -6.886 0.897 0.000) 6.944 17.466 ( 0.747 -12.220 0.000) 12.243 17.483 ( -1.173 -6.198 0.000) 6.308 17.890 ( 5.284 0.030 0.000) 5.284 17.976 ( -3.969 2.823 0.000) 4.870 18.318 ( 8.572 -3.168 0.000) 9.139 18.450 ( -4.897 -1.410 0.000) 5.096 18.451 ( 1.316 3.384 0.000) 3.631 18.482 ( -1.837 3.779 0.000) 4.202 19.327 ( 8.806 -4.950 0.000) 10.102 19.485 ( -7.505 -5.672 0.000) 9.407 27.427 ( 0.436 1.140 0.000) 1.220 27.436 ( -0.460 1.253 0.000) 1.335 27.577 ( 2.616 -0.132 0.000) 2.619 27.628 ( -2.560 -0.136 0.000) 2.564 29.731 ( 0.262 1.293 0.000) 1.319 29.750 ( -1.668 2.662 0.000) 3.141 29.816 ( -1.126 -1.062 0.000) 1.548 29.831 ( -3.993 4.092 0.000) 5.718 30.123 ( 0.073 -5.593 0.000) 5.593 30.128 ( -0.490 -4.452 0.000) 4.479 30.341 ( 2.165 -2.847 0.000) 3.577 30.358 ( 0.056 2.767 0.000) 2.768 31.030 ( -0.842 17.419 0.000) 17.439 31.034 ( -1.197 20.875 0.000) 20.910 33.429 ( 4.350 -16.237 0.000) 16.809 33.462 ( -0.153 -10.934 0.000) 10.935 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 44.059 0.000) 44.059 1.915 ( 0.000 45.934 0.000) 45.934 2.858 ( 0.000 63.205 0.000) 63.205 2.978 ( 0.000 13.382 0.000) 13.382 3.447 ( 0.000 11.771 0.000) 11.771 4.219 ( 0.000 -0.059 0.000) 0.059 4.437 ( 0.000 1.879 0.000) 1.879 4.708 ( 0.000 -0.167 0.000) 0.167 4.791 ( 0.000 8.652 0.000) 8.652 4.977 ( 0.000 29.350 0.000) 29.350 5.114 ( 0.000 -22.421 0.000) 22.421 5.428 ( 0.000 5.931 0.000) 5.931 5.562 ( 0.000 -30.248 0.000) 30.248 5.689 ( 0.000 22.357 0.000) 22.357 5.921 ( 0.000 11.905 0.000) 11.905 6.359 ( 0.000 14.910 0.000) 14.910 6.640 ( 0.000 12.528 0.000) 12.528 7.155 ( 0.000 -19.883 0.000) 19.883 7.306 ( 0.000 6.051 0.000) 6.051 7.424 ( 0.000 18.726 0.000) 18.726 7.541 ( 0.000 13.831 0.000) 13.831 7.762 ( 0.000 -9.241 0.000) 9.241 7.935 ( 0.000 0.153 0.000) 0.153 8.939 ( 0.000 -9.844 0.000) 9.844 9.475 ( 0.000 -5.073 0.000) 5.073 9.612 ( 0.000 -0.227 0.000) 0.227 9.645 ( 0.000 -14.420 0.000) 14.420 9.760 ( 0.000 -3.467 0.000) 3.467 9.985 ( 0.000 5.864 0.000) 5.864 10.223 ( 0.000 2.735 0.000) 2.735 10.476 ( 0.000 -1.307 0.000) 1.307 10.524 ( 0.000 -1.427 0.000) 1.427 10.875 ( 0.000 -0.347 0.000) 0.347 11.180 ( 0.000 -7.482 0.000) 7.482 11.206 ( 0.000 11.869 0.000) 11.869 11.486 ( 0.000 -4.821 0.000) 4.821 11.489 ( 0.000 -22.038 0.000) 22.038 11.514 ( 0.000 -8.277 0.000) 8.277 11.830 ( 0.000 -8.396 0.000) 8.396 12.022 ( 0.000 0.583 0.000) 0.583 12.056 ( 0.000 3.389 0.000) 3.389 12.422 ( 0.000 7.126 0.000) 7.126 12.501 ( 0.000 2.342 0.000) 2.342 12.818 ( 0.000 9.329 0.000) 9.329 12.942 ( 0.000 5.428 0.000) 5.428 12.986 ( 0.000 -3.711 0.000) 3.711 13.103 ( 0.000 5.426 0.000) 5.426 13.521 ( 0.000 5.366 0.000) 5.366 13.578 ( 0.000 1.381 0.000) 1.381 13.651 ( 0.000 -11.289 0.000) 11.289 13.803 ( 0.000 3.562 0.000) 3.562 13.893 ( 0.000 -18.065 0.000) 18.065 13.989 ( 0.000 -7.056 0.000) 7.056 14.240 ( 0.000 0.413 0.000) 0.413 14.579 ( 0.000 6.625 0.000) 6.625 14.650 ( 0.000 8.798 0.000) 8.798 14.733 ( 0.000 -1.799 0.000) 1.799 14.814 ( 0.000 -0.133 0.000) 0.133 14.869 ( 0.000 -0.499 0.000) 0.499 14.937 ( 0.000 1.479 0.000) 1.479 15.058 ( 0.000 2.108 0.000) 2.108 15.113 ( 0.000 -19.654 0.000) 19.654 15.433 ( 0.000 7.530 0.000) 7.530 15.578 ( 0.000 -0.917 0.000) 0.917 15.919 ( 0.000 -5.549 0.000) 5.549 16.090 ( 0.000 -9.551 0.000) 9.551 16.178 ( 0.000 6.708 0.000) 6.708 16.967 ( 0.000 5.629 0.000) 5.629 16.974 ( 0.000 -8.808 0.000) 8.808 17.210 ( 0.000 9.941 0.000) 9.941 17.373 ( 0.000 9.400 0.000) 9.400 17.562 ( 0.000 -4.997 0.000) 4.997 17.620 ( 0.000 -0.315 0.000) 0.315 18.018 ( 0.000 -5.414 0.000) 5.414 18.125 ( 0.000 -0.754 0.000) 0.754 18.484 ( 0.000 -4.076 0.000) 4.076 18.579 ( 0.000 6.614 0.000) 6.614 18.655 ( 0.000 7.344 0.000) 7.344 18.962 ( 0.000 -1.744 0.000) 1.744 19.457 ( 0.000 -10.683 0.000) 10.683 27.445 ( 0.000 1.528 0.000) 1.528 27.490 ( 0.000 2.761 0.000) 2.761 27.516 ( 0.000 -0.206 0.000) 0.206 27.678 ( 0.000 -0.536 0.000) 0.536 29.671 ( 0.000 -1.886 0.000) 1.886 29.759 ( 0.000 -0.507 0.000) 0.507 29.921 ( 0.000 -9.093 0.000) 9.093 29.937 ( 0.000 1.690 0.000) 1.690 30.033 ( 0.000 -7.857 0.000) 7.857 30.121 ( 0.000 -4.599 0.000) 4.599 30.197 ( 0.000 3.688 0.000) 3.688 30.686 ( 0.000 -6.067 0.000) 6.067 31.546 ( 0.000 16.405 0.000) 16.405 31.592 ( 0.000 24.650 0.000) 24.650 32.598 ( 0.000 -6.570 0.000) 6.570 33.221 ( 0.000 -13.857 0.000) 13.857 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 7.468 38.035 0.000) 38.761 2.053 ( 13.752 41.790 0.000) 43.995 2.814 ( -15.547 13.027 0.000) 20.283 3.176 ( 23.154 50.070 0.000) 55.165 3.290 ( -8.925 21.973 0.000) 23.717 4.338 ( 11.249 -3.978 0.000) 11.932 4.429 ( -6.067 -17.873 0.000) 18.874 4.654 ( -5.623 14.460 0.000) 15.515 4.697 ( 5.715 19.711 0.000) 20.523 5.091 ( -3.663 -19.058 0.000) 19.406 5.177 ( 9.683 -3.272 0.000) 10.221 5.420 ( -5.374 16.884 0.000) 17.718 5.604 ( 4.081 0.621 0.000) 4.128 5.657 ( -0.079 17.001 0.000) 17.001 5.787 ( -12.313 3.488 0.000) 12.798 6.370 ( 2.144 14.000 0.000) 14.163 6.704 ( 6.640 9.449 0.000) 11.549 7.099 ( -4.888 -12.477 0.000) 13.400 7.199 ( -16.682 17.264 0.000) 24.007 7.307 ( -1.102 2.880 0.000) 3.084 7.529 ( -0.306 9.938 0.000) 9.943 7.826 ( -10.172 1.151 0.000) 10.237 7.999 ( 18.097 -6.108 0.000) 19.100 8.895 ( -5.529 -10.825 0.000) 12.155 9.445 ( -1.362 -4.566 0.000) 4.765 9.582 ( -2.839 -0.290 0.000) 2.854 9.722 ( 5.969 -13.882 0.000) 15.111 9.781 ( 1.821 -3.358 0.000) 3.820 10.030 ( 4.402 6.608 0.000) 7.939 10.246 ( 2.566 2.365 0.000) 3.489 10.395 ( -6.833 4.185 0.000) 8.012 10.558 ( 1.977 -3.189 0.000) 3.752 10.908 ( 4.125 -0.773 0.000) 4.197 11.085 ( -7.556 -5.419 0.000) 9.298 11.296 ( -10.241 -4.414 0.000) 11.151 11.321 ( 9.907 1.936 0.000) 10.094 11.547 ( 6.224 -18.861 0.000) 19.862 11.683 ( 2.753 -1.903 0.000) 3.346 11.755 ( -10.409 -0.965 0.000) 10.454 11.858 ( 0.802 -12.274 0.000) 12.300 12.273 ( 8.761 -0.304 0.000) 8.766 12.423 ( -5.318 6.171 0.000) 8.146 12.430 ( 2.869 6.641 0.000) 7.234 12.873 ( -5.242 6.009 0.000) 7.974 12.911 ( 5.042 4.685 0.000) 6.883 12.945 ( -3.571 -1.759 0.000) 3.981 13.183 ( 8.087 7.348 0.000) 10.927 13.405 ( -6.727 0.028 0.000) 6.727 13.572 ( -8.786 -11.451 0.000) 14.433 13.650 ( 1.671 6.060 0.000) 6.286 13.852 ( 3.220 3.293 0.000) 4.606 13.943 ( 5.036 -13.284 0.000) 14.206 14.072 ( 12.087 -1.907 0.000) 12.237 14.194 ( -2.613 -3.197 0.000) 4.129 14.448 ( -14.143 4.228 0.000) 14.761 14.653 ( -2.839 -2.380 0.000) 3.704 14.676 ( -14.919 4.589 0.000) 15.609 14.741 ( 8.422 4.238 0.000) 9.428 14.895 ( -4.674 0.798 0.000) 4.742 14.904 ( 3.401 -0.424 0.000) 3.427 14.983 ( 1.596 6.810 0.000) 6.994 15.149 ( 3.784 -17.687 0.000) 18.088 15.414 ( -12.507 -1.559 0.000) 12.604 15.577 ( 1.685 -3.766 0.000) 4.125 15.959 ( 1.409 -6.692 0.000) 6.838 16.162 ( -1.730 6.794 0.000) 7.010 16.328 ( 22.105 -7.257 0.000) 23.265 16.957 ( -0.746 7.878 0.000) 7.913 16.970 ( -0.522 -6.524 0.000) 6.545 17.162 ( -4.875 7.702 0.000) 9.115 17.383 ( 0.827 9.459 0.000) 9.496 17.550 ( -4.427 1.687 0.000) 4.738 17.673 ( 8.371 -5.472 0.000) 10.001 18.073 ( 5.578 -5.745 0.000) 8.008 18.079 ( -4.397 -1.476 0.000) 4.638 18.465 ( -2.296 -4.437 0.000) 4.995 18.559 ( -1.096 6.976 0.000) 7.062 18.635 ( -1.920 7.049 0.000) 7.306 19.055 ( 7.831 -4.086 0.000) 8.833 19.424 ( -3.310 -10.080 0.000) 10.610 27.449 ( 0.458 1.652 0.000) 1.714 27.486 ( -0.442 2.672 0.000) 2.708 27.532 ( 1.650 -0.184 0.000) 1.660 27.663 ( -1.501 -0.486 0.000) 1.578 29.691 ( 2.025 -1.384 0.000) 2.453 29.754 ( -0.431 -0.713 0.000) 0.833 29.831 ( -4.394 -3.586 0.000) 5.672 29.993 ( -4.190 -6.808 0.000) 7.994 30.005 ( 2.416 -2.914 0.000) 3.785 30.167 ( -3.739 3.833 0.000) 5.355 30.176 ( 5.347 -4.130 0.000) 6.756 30.534 ( -10.635 0.346 0.000) 10.641 31.479 ( -3.475 20.488 0.000) 20.780 31.565 ( -2.655 24.427 0.000) 24.571 32.816 ( 15.914 -15.478 0.000) 22.200 33.212 ( -1.047 -14.560 0.000) 14.597 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 18.647 24.604 0.000) 30.872 2.365 ( 4.232 25.441 0.000) 25.791 2.485 ( -3.950 23.180 0.000) 23.514 2.867 ( -23.388 23.905 0.000) 33.443 3.883 ( 36.113 40.879 0.000) 54.546 4.300 ( -6.848 -12.615 0.000) 14.354 4.462 ( 0.402 -11.242 0.000) 11.249 4.659 ( -17.338 22.168 0.000) 28.143 4.761 ( 16.500 4.358 0.000) 17.066 5.008 ( -5.525 -9.101 0.000) 10.646 5.287 ( 5.623 -19.017 0.000) 19.831 5.304 ( 1.696 22.915 0.000) 22.977 5.479 ( -10.541 22.576 0.000) 24.915 5.501 ( -15.569 -5.943 0.000) 16.665 5.954 ( 21.816 20.005 0.000) 29.600 6.323 ( -12.387 15.966 0.000) 20.207 6.905 ( 12.361 7.453 0.000) 14.434 6.978 ( -0.889 8.418 0.000) 8.464 6.998 ( -5.003 -1.195 0.000) 5.144 7.204 ( -11.034 2.253 0.000) 11.262 7.541 ( 1.959 7.093 0.000) 7.359 7.628 ( -8.068 3.780 0.000) 8.910 8.367 ( 19.396 -9.068 0.000) 21.411 8.701 ( -14.590 -11.318 0.000) 18.465 9.455 ( 2.243 -2.472 0.000) 3.338 9.516 ( -3.710 -0.920 0.000) 3.822 9.812 ( 2.495 -9.659 0.000) 9.976 9.816 ( 1.451 -4.616 0.000) 4.839 10.135 ( 6.116 8.208 0.000) 10.236 10.255 ( -6.175 8.353 0.000) 10.387 10.346 ( 6.934 -1.891 0.000) 7.188 10.507 ( -7.676 -6.377 0.000) 9.979 11.012 ( 1.313 -2.150 0.000) 2.519 11.070 ( 13.023 0.947 0.000) 13.057 11.112 ( -8.204 -4.129 0.000) 9.184 11.372 ( -16.818 3.265 0.000) 17.132 11.543 ( 9.213 -4.587 0.000) 10.292 11.656 ( 1.034 -11.364 0.000) 11.411 11.842 ( -0.057 -18.384 0.000) 18.384 11.845 ( 3.307 -13.615 0.000) 14.010 12.314 ( -0.358 6.405 0.000) 6.415 12.343 ( -3.117 9.270 0.000) 9.780 12.594 ( 10.293 0.121 0.000) 10.294 12.752 ( -6.801 2.550 0.000) 7.263 12.902 ( 0.582 2.197 0.000) 2.273 12.949 ( -1.637 3.569 0.000) 3.926 13.312 ( -2.151 -2.242 0.000) 3.107 13.351 ( -2.402 -4.190 0.000) 4.829 13.412 ( 6.124 7.274 0.000) 9.508 13.596 ( -7.320 9.020 0.000) 11.617 14.004 ( 11.914 4.578 0.000) 12.764 14.040 ( 3.899 -3.508 0.000) 5.245 14.104 ( -3.438 -4.270 0.000) 5.482 14.237 ( -10.070 -2.564 0.000) 10.391 14.392 ( 12.401 -9.397 0.000) 15.559 14.445 ( -5.383 0.081 0.000) 5.384 14.562 ( -1.106 0.547 0.000) 1.234 14.746 ( -11.042 -0.267 0.000) 11.045 14.933 ( 10.140 0.905 0.000) 10.180 14.979 ( 3.549 1.942 0.000) 4.046 15.009 ( 0.082 4.685 0.000) 4.685 15.159 ( -13.222 -1.524 0.000) 13.309 15.266 ( 8.646 -14.773 0.000) 17.117 15.462 ( -10.547 -12.583 0.000) 16.419 16.026 ( 4.806 2.922 0.000) 5.625 16.110 ( -3.700 6.260 0.000) 7.272 16.729 ( 17.752 -8.853 0.000) 19.837 16.945 ( -3.157 -7.847 0.000) 8.459 16.955 ( 0.810 12.111 0.000) 12.138 17.028 ( -8.406 10.983 0.000) 13.831 17.407 ( 1.966 7.045 0.000) 7.314 17.464 ( -3.966 4.149 0.000) 5.740 17.839 ( 7.925 -4.943 0.000) 9.340 17.974 ( -6.345 -3.085 0.000) 7.055 18.221 ( 9.161 -6.339 0.000) 11.140 18.381 ( -6.691 -5.635 0.000) 8.748 18.558 ( 0.988 6.768 0.000) 6.840 18.591 ( -2.311 6.679 0.000) 7.067 19.208 ( 7.569 -6.574 0.000) 10.026 19.336 ( -5.781 -8.500 0.000) 10.279 27.461 ( 0.708 2.009 0.000) 2.130 27.474 ( -0.697 2.407 0.000) 2.506 27.574 ( 2.561 -0.225 0.000) 2.570 27.624 ( -2.484 -0.359 0.000) 2.510 29.746 ( 2.596 -0.152 0.000) 2.600 29.748 ( -0.042 -1.116 0.000) 1.117 29.777 ( 0.096 -2.570 0.000) 2.572 29.875 ( -7.199 -1.938 0.000) 7.455 30.039 ( 1.693 -1.625 0.000) 2.346 30.085 ( -3.453 1.583 0.000) 3.799 30.291 ( 5.994 -2.585 0.000) 6.527 30.394 ( -5.112 0.094 0.000) 5.113 31.458 ( 1.013 22.361 0.000) 22.384 31.503 ( -3.296 23.672 0.000) 23.901 33.059 ( 8.929 -18.442 0.000) 20.490 33.172 ( -3.488 -16.480 0.000) 16.845 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.000 44.029 0.000) 44.029 2.840 ( 0.000 44.001 0.000) 44.001 3.301 ( 0.000 17.768 0.000) 17.768 3.736 ( 0.000 15.617 0.000) 15.617 3.951 ( 0.000 27.797 0.000) 27.797 4.084 ( 0.000 -6.077 0.000) 6.077 4.118 ( 0.000 -20.501 0.000) 20.501 4.495 ( 0.000 -35.022 0.000) 35.022 4.827 ( 0.000 -9.186 0.000) 9.186 5.020 ( 0.000 17.018 0.000) 17.018 5.275 ( 0.000 13.337 0.000) 13.337 5.432 ( 0.000 8.650 0.000) 8.650 5.433 ( 0.000 -4.181 0.000) 4.181 5.942 ( 0.000 -1.000 0.000) 1.000 6.325 ( 0.000 21.189 0.000) 21.189 6.560 ( 0.000 7.262 0.000) 7.262 6.827 ( 0.000 -7.085 0.000) 7.085 6.966 ( 0.000 15.184 0.000) 15.184 7.271 ( 0.000 -9.632 0.000) 9.632 7.520 ( 0.000 -13.717 0.000) 13.717 7.759 ( 0.000 12.370 0.000) 12.370 7.796 ( 0.000 9.711 0.000) 9.711 8.051 ( 0.000 13.218 0.000) 13.218 8.738 ( 0.000 -11.237 0.000) 11.237 9.350 ( 0.000 -5.692 0.000) 5.692 9.408 ( 0.000 -8.544 0.000) 8.544 9.615 ( 0.000 0.508 0.000) 0.508 9.689 ( 0.000 -3.223 0.000) 3.223 10.126 ( 0.000 8.820 0.000) 8.820 10.298 ( 0.000 4.064 0.000) 4.064 10.432 ( 0.000 -2.692 0.000) 2.692 10.565 ( 0.000 5.415 0.000) 5.415 10.685 ( 0.000 -15.021 0.000) 15.021 11.054 ( 0.000 -18.234 0.000) 18.234 11.210 ( 0.000 -3.559 0.000) 3.559 11.223 ( 0.000 7.716 0.000) 7.716 11.340 ( 0.000 -7.791 0.000) 7.791 11.643 ( 0.000 -9.868 0.000) 9.868 11.661 ( 0.000 13.461 0.000) 13.461 11.985 ( 0.000 -4.108 0.000) 4.108 12.172 ( 0.000 9.140 0.000) 9.140 12.579 ( 0.000 5.530 0.000) 5.530 12.618 ( 0.000 11.220 0.000) 11.220 12.792 ( 0.000 -13.594 0.000) 13.594 12.874 ( 0.000 -3.389 0.000) 3.389 13.034 ( 0.000 3.789 0.000) 3.789 13.264 ( 0.000 -2.915 0.000) 2.915 13.314 ( 0.000 -19.933 0.000) 19.933 13.449 ( 0.000 7.389 0.000) 7.389 13.684 ( 0.000 7.429 0.000) 7.429 13.805 ( 0.000 3.497 0.000) 3.497 13.834 ( 0.000 0.697 0.000) 0.697 13.914 ( 0.000 -2.392 0.000) 2.392 14.183 ( 0.000 -10.176 0.000) 10.176 14.677 ( 0.000 2.948 0.000) 2.948 14.694 ( 0.000 -1.247 0.000) 1.247 14.793 ( 0.000 4.519 0.000) 4.519 14.811 ( 0.000 -6.937 0.000) 6.937 14.819 ( 0.000 0.738 0.000) 0.738 14.842 ( 0.000 -2.348 0.000) 2.348 14.986 ( 0.000 3.464 0.000) 3.464 15.100 ( 0.000 1.301 0.000) 1.301 15.515 ( 0.000 0.183 0.000) 0.183 15.519 ( 0.000 -4.086 0.000) 4.086 15.844 ( 0.000 -1.045 0.000) 1.045 15.935 ( 0.000 -5.050 0.000) 5.050 16.311 ( 0.000 6.438 0.000) 6.438 16.679 ( 0.000 -13.508 0.000) 13.508 17.114 ( 0.000 8.289 0.000) 8.289 17.441 ( 0.000 -6.721 0.000) 6.721 17.588 ( 0.000 11.045 0.000) 11.045 17.590 ( 0.000 19.822 0.000) 19.822 17.640 ( 0.000 2.604 0.000) 2.604 17.882 ( 0.000 -7.486 0.000) 7.486 18.050 ( 0.000 -5.738 0.000) 5.738 18.336 ( 0.000 -10.534 0.000) 10.534 18.713 ( 0.000 6.209 0.000) 6.209 18.820 ( 0.000 8.725 0.000) 8.725 18.911 ( 0.000 -3.259 0.000) 3.259 19.230 ( 0.000 -11.062 0.000) 11.062 27.475 ( 0.000 1.367 0.000) 1.367 27.510 ( 0.000 -0.388 0.000) 0.388 27.554 ( 0.000 3.290 0.000) 3.290 27.659 ( 0.000 -1.447 0.000) 1.447 29.655 ( 0.000 0.354 0.000) 0.354 29.759 ( 0.000 0.708 0.000) 0.708 29.773 ( 0.000 -5.508 0.000) 5.508 29.889 ( 0.000 -5.894 0.000) 5.894 29.961 ( 0.000 0.911 0.000) 0.911 30.037 ( 0.000 -3.435 0.000) 3.435 30.292 ( 0.000 5.475 0.000) 5.475 30.554 ( 0.000 -6.688 0.000) 6.688 31.881 ( 0.000 15.849 0.000) 15.849 32.078 ( 0.000 22.533 0.000) 22.533 32.427 ( 0.000 -10.134 0.000) 10.134 32.898 ( 0.000 -17.411 0.000) 17.411 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -2.170 40.861 0.000) 40.919 2.908 ( 6.102 40.440 0.000) 40.898 3.140 ( -13.439 19.063 0.000) 23.324 3.631 ( -9.901 18.658 0.000) 21.122 3.984 ( -10.606 -22.580 0.000) 24.947 4.033 ( 0.879 -12.535 0.000) 12.566 4.210 ( 15.389 16.555 0.000) 22.603 4.506 ( 0.665 -33.059 0.000) 33.066 4.837 ( -1.241 -4.002 0.000) 4.190 5.034 ( -2.130 19.531 0.000) 19.646 5.150 ( 11.928 18.718 0.000) 22.196 5.531 ( 5.090 -2.424 0.000) 5.638 5.771 ( 11.797 2.954 0.000) 12.161 5.962 ( 7.600 3.427 0.000) 8.337 6.147 ( -17.584 22.480 0.000) 28.540 6.547 ( -1.355 3.374 0.000) 3.636 6.853 ( 3.114 -3.885 0.000) 4.979 6.966 ( 1.590 14.958 0.000) 15.042 7.299 ( 2.156 -6.257 0.000) 6.618 7.458 ( -9.121 3.107 0.000) 9.635 7.694 ( -1.186 6.575 0.000) 6.681 7.896 ( 8.003 -1.936 0.000) 8.233 7.947 ( -9.893 12.462 0.000) 15.911 8.655 ( -8.725 -13.622 0.000) 16.177 9.354 ( 1.881 -3.124 0.000) 3.646 9.481 ( 6.001 -9.256 0.000) 11.031 9.591 ( -2.534 1.190 0.000) 2.799 9.703 ( 0.875 -3.929 0.000) 4.026 10.171 ( 4.547 7.530 0.000) 8.797 10.319 ( 1.936 4.264 0.000) 4.683 10.441 ( -0.010 0.084 0.000) 0.084 10.516 ( -4.844 -3.468 0.000) 5.957 10.771 ( 8.682 -4.726 0.000) 9.885 11.101 ( 1.977 -7.803 0.000) 8.049 11.146 ( -6.273 -4.460 0.000) 7.697 11.228 ( 4.444 -1.118 0.000) 4.583 11.297 ( -1.293 -6.904 0.000) 7.024 11.617 ( -3.263 -11.421 0.000) 11.878 11.709 ( 1.902 6.188 0.000) 6.474 11.814 ( -14.164 2.124 0.000) 14.322 12.300 ( 9.480 4.750 0.000) 10.603 12.568 ( -0.606 8.304 0.000) 8.326 12.614 ( 0.198 10.634 0.000) 10.636 12.802 ( 1.591 -11.163 0.000) 11.276 12.897 ( -0.511 -2.395 0.000) 2.449 13.003 ( -1.606 3.298 0.000) 3.668 13.241 ( -5.719 -14.866 0.000) 15.928 13.253 ( -3.660 -11.002 0.000) 11.595 13.466 ( 4.775 12.875 0.000) 13.732 13.787 ( 8.760 1.450 0.000) 8.880 13.802 ( -0.466 4.294 0.000) 4.319 13.872 ( 2.828 -0.469 0.000) 2.866 14.000 ( 8.778 -4.455 0.000) 9.844 14.151 ( -1.633 -4.174 0.000) 4.482 14.543 ( -17.847 4.871 0.000) 18.500 14.620 ( -3.217 -0.565 0.000) 3.266 14.704 ( -13.104 -1.386 0.000) 13.177 14.764 ( 1.464 -9.272 0.000) 9.387 14.836 ( 9.363 1.941 0.000) 9.562 14.942 ( 5.801 -2.120 0.000) 6.177 14.943 ( -5.456 4.198 0.000) 6.884 15.106 ( 0.938 3.613 0.000) 3.732 15.378 ( -11.689 -2.223 0.000) 11.898 15.419 ( -10.277 -8.627 0.000) 13.417 15.950 ( 10.057 3.860 0.000) 10.773 16.185 ( 19.135 -6.633 0.000) 20.252 16.301 ( -1.182 7.000 0.000) 7.099 16.689 ( 0.613 -13.369 0.000) 13.383 17.145 ( 3.176 10.049 0.000) 10.539 17.482 ( -6.632 15.287 0.000) 16.664 17.527 ( 8.005 -7.520 0.000) 10.983 17.623 ( -1.296 4.548 0.000) 4.729 17.640 ( 0.998 14.859 0.000) 14.893 17.928 ( 4.758 -8.133 0.000) 9.422 17.993 ( -5.510 -6.086 0.000) 8.210 18.312 ( -2.870 -10.557 0.000) 10.940 18.707 ( -0.227 7.179 0.000) 7.183 18.798 ( -2.117 8.758 0.000) 9.010 18.962 ( 4.601 -5.046 0.000) 6.829 19.207 ( -2.277 -10.760 0.000) 10.998 27.483 ( 0.817 1.575 0.000) 1.775 27.526 ( 1.568 -0.489 0.000) 1.642 27.547 ( -0.705 3.137 0.000) 3.215 27.646 ( -1.335 -1.335 0.000) 1.888 29.674 ( 2.029 -0.099 0.000) 2.032 29.747 ( -1.841 -3.704 0.000) 4.137 29.749 ( -0.937 0.422 0.000) 1.027 29.864 ( -2.486 -5.387 0.000) 5.933 29.991 ( 2.547 0.824 0.000) 2.678 30.095 ( 5.660 -3.709 0.000) 6.767 30.260 ( -3.558 5.201 0.000) 6.302 30.483 ( -6.230 -4.470 0.000) 7.668 31.875 ( 0.129 18.089 0.000) 18.089 32.048 ( -2.908 22.535 0.000) 22.722 32.523 ( 8.383 -13.996 0.000) 16.314 32.877 ( -2.223 -17.853 0.000) 17.990 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 5.640 31.419 0.000) 31.921 2.805 ( -13.755 22.224 0.000) 26.136 3.141 ( 11.940 34.781 0.000) 36.773 3.396 ( -13.664 26.185 0.000) 29.536 3.851 ( -1.150 -25.179 0.000) 25.205 3.939 ( -8.149 -25.529 0.000) 26.799 4.451 ( 6.188 -14.138 0.000) 15.433 4.507 ( -0.907 -27.573 0.000) 27.588 4.992 ( 19.774 28.894 0.000) 35.013 5.224 ( 18.112 15.528 0.000) 23.857 5.304 ( -4.419 21.036 0.000) 21.495 5.540 ( -0.504 8.409 0.000) 8.424 5.719 ( -22.195 17.249 0.000) 28.109 5.736 ( -7.819 1.287 0.000) 7.925 6.273 ( 16.500 1.638 0.000) 16.581 6.492 ( -6.074 -3.429 0.000) 6.975 6.966 ( 9.092 5.320 0.000) 10.534 7.084 ( 9.694 13.303 0.000) 16.461 7.213 ( -12.997 13.664 0.000) 18.858 7.290 ( -5.365 4.672 0.000) 7.114 7.690 ( 0.214 5.416 0.000) 5.420 7.750 ( -7.782 8.301 0.000) 11.378 8.122 ( 14.973 -14.568 0.000) 20.891 8.420 ( -14.971 -16.306 0.000) 22.136 9.423 ( 4.778 -0.146 0.000) 4.780 9.519 ( -4.804 1.361 0.000) 4.993 9.606 ( 6.353 -9.182 0.000) 11.166 9.695 ( -2.404 -6.548 0.000) 6.975 10.285 ( 6.679 5.725 0.000) 8.797 10.357 ( 1.660 2.810 0.000) 3.264 10.402 ( -4.022 4.109 0.000) 5.750 10.417 ( -4.362 -2.665 0.000) 5.112 10.945 ( 5.910 0.363 0.000) 5.921 11.024 ( -5.042 -1.808 0.000) 5.357 11.161 ( 9.349 2.410 0.000) 9.654 11.328 ( 1.790 -10.480 0.000) 10.632 11.423 ( 13.071 -10.507 0.000) 16.770 11.512 ( -13.923 3.402 0.000) 14.333 11.516 ( -6.559 -11.540 0.000) 13.274 11.648 ( -8.658 -4.784 0.000) 9.892 12.475 ( 7.464 8.797 0.000) 11.537 12.553 ( -1.537 11.422 0.000) 11.525 12.658 ( 5.138 6.667 0.000) 8.417 12.802 ( -8.033 2.790 0.000) 8.504 12.870 ( 5.485 -5.661 0.000) 7.883 12.974 ( -3.541 -1.013 0.000) 3.683 13.148 ( -3.193 -12.086 0.000) 12.501 13.148 ( -4.044 -13.000 0.000) 13.614 13.641 ( 10.742 11.757 0.000) 15.926 13.775 ( -3.088 6.780 0.000) 7.450 13.925 ( 3.423 -5.538 0.000) 6.511 13.948 ( 5.650 -4.239 0.000) 7.064 14.148 ( 0.574 1.055 0.000) 1.201 14.209 ( 11.224 -5.896 0.000) 12.679 14.222 ( -12.767 3.048 0.000) 13.126 14.443 ( -13.178 -2.257 0.000) 13.370 14.597 ( 3.855 2.753 0.000) 4.737 14.772 ( -11.482 3.693 0.000) 12.061 14.886 ( 10.276 -9.574 0.000) 14.044 15.010 ( 7.893 0.541 0.000) 7.911 15.049 ( 5.859 -1.718 0.000) 6.106 15.088 ( -4.231 -0.631 0.000) 4.278 15.140 ( -11.923 -1.069 0.000) 11.971 15.202 ( -10.013 -8.364 0.000) 13.047 16.136 ( 8.353 7.363 0.000) 11.135 16.255 ( -4.066 7.940 0.000) 8.920 16.516 ( 13.461 -10.525 0.000) 17.088 16.673 ( -3.418 -12.875 0.000) 13.322 17.227 ( 5.306 13.204 0.000) 14.231 17.347 ( -7.068 14.934 0.000) 16.522 17.611 ( 0.375 8.646 0.000) 8.654 17.633 ( -1.345 12.720 0.000) 12.791 17.698 ( 9.006 -7.743 0.000) 11.877 17.860 ( -7.900 -6.947 0.000) 10.520 18.058 ( 8.359 -9.483 0.000) 12.641 18.215 ( -7.200 -10.434 0.000) 12.677 18.715 ( 1.195 8.334 0.000) 8.420 18.751 ( -2.398 8.757 0.000) 9.079 19.059 ( 5.082 -7.828 0.000) 9.333 19.147 ( -3.958 -9.753 0.000) 10.525 27.504 ( 1.283 2.098 0.000) 2.459 27.529 ( -1.197 2.700 0.000) 2.953 27.565 ( 2.358 -0.736 0.000) 2.470 27.610 ( -2.236 -1.055 0.000) 2.473 29.724 ( -0.417 -1.628 0.000) 1.681 29.729 ( 3.533 -1.627 0.000) 3.890 29.730 ( -0.870 -0.355 0.000) 0.940 29.802 ( -3.796 -3.805 0.000) 5.375 30.057 ( 4.493 2.860 0.000) 5.327 30.161 ( -6.065 4.893 0.000) 7.793 30.224 ( 7.222 -3.952 0.000) 8.232 30.358 ( -6.649 -3.432 0.000) 7.483 31.904 ( 2.947 20.862 0.000) 21.069 31.977 ( -4.198 22.218 0.000) 22.612 32.687 ( 7.864 -17.998 0.000) 19.641 32.810 ( -4.892 -18.617 0.000) 19.249 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 0.000 -37.595 0.000) 37.595 3.480 ( 0.000 37.595 0.000) 37.595 3.667 ( 0.000 -2.953 0.000) 2.953 3.667 ( 0.000 2.953 0.000) 2.953 3.740 ( 0.000 -17.546 0.000) 17.546 3.740 ( 0.000 17.546 0.000) 17.546 4.058 ( 0.000 -14.768 0.000) 14.768 4.058 ( 0.000 14.768 0.000) 14.768 5.184 ( 0.000 -28.477 0.000) 28.477 5.184 ( 0.000 28.477 0.000) 28.477 5.293 ( 0.000 -9.677 0.000) 9.677 5.293 ( 0.000 9.677 0.000) 9.677 5.681 ( 0.000 -20.368 0.000) 20.368 5.681 ( 0.000 20.368 0.000) 20.368 6.615 ( 0.000 -4.932 0.000) 4.932 6.615 ( 0.000 4.932 0.000) 4.932 6.971 ( 0.000 -16.316 0.000) 16.316 6.971 ( 0.000 16.316 0.000) 16.316 7.237 ( 0.000 -12.918 0.000) 12.918 7.237 ( 0.000 12.918 0.000) 12.918 7.896 ( 0.000 -0.674 0.000) 0.674 7.896 ( 0.000 0.674 0.000) 0.674 8.421 ( 0.000 -19.289 0.000) 19.289 8.421 ( 0.000 19.289 0.000) 19.289 9.302 ( 0.000 -1.559 0.000) 1.559 9.302 ( 0.000 1.559 0.000) 1.559 9.637 ( 0.000 -1.770 0.000) 1.770 9.637 ( 0.000 1.770 0.000) 1.770 10.368 ( 0.000 -14.526 0.000) 14.526 10.368 ( 0.000 14.526 0.000) 14.526 10.373 ( 0.000 -3.134 0.000) 3.134 10.373 ( 0.000 3.134 0.000) 3.134 10.741 ( 0.000 -11.825 0.000) 11.825 10.741 ( 0.000 11.825 0.000) 11.825 11.214 ( 0.000 -3.888 0.000) 3.888 11.214 ( 0.000 3.888 0.000) 3.888 11.427 ( 0.000 -10.865 0.000) 10.865 11.427 ( 0.000 10.865 0.000) 10.865 11.870 ( 0.000 -7.180 0.000) 7.180 11.870 ( 0.000 7.180 0.000) 7.180 12.448 ( 0.000 -16.496 0.000) 16.496 12.448 ( 0.000 16.496 0.000) 16.496 12.731 ( 0.000 -8.754 0.000) 8.754 12.731 ( 0.000 8.754 0.000) 8.754 12.925 ( 0.000 -16.869 0.000) 16.869 12.925 ( 0.000 16.869 0.000) 16.869 13.118 ( 0.000 -5.230 0.000) 5.230 13.118 ( 0.000 5.230 0.000) 5.230 13.811 ( 0.000 -3.574 0.000) 3.574 13.811 ( 0.000 3.574 0.000) 3.574 13.822 ( 0.000 -19.537 0.000) 19.537 13.822 ( 0.000 19.537 0.000) 19.537 13.867 ( 0.000 -0.662 0.000) 0.662 13.867 ( 0.000 0.662 0.000) 0.662 14.706 ( 0.000 -0.261 0.000) 0.261 14.706 ( 0.000 0.261 0.000) 0.261 14.781 ( 0.000 -2.399 0.000) 2.399 14.781 ( 0.000 2.399 0.000) 2.399 14.834 ( 0.000 -0.028 0.000) 0.028 14.834 ( 0.000 0.028 0.000) 0.028 15.072 ( 0.000 -3.987 0.000) 3.987 15.072 ( 0.000 3.987 0.000) 3.987 15.483 ( 0.000 -1.266 0.000) 1.266 15.483 ( 0.000 1.266 0.000) 1.266 15.865 ( 0.000 -2.327 0.000) 2.327 15.865 ( 0.000 2.327 0.000) 2.327 16.458 ( 0.000 -8.424 0.000) 8.424 16.458 ( 0.000 8.424 0.000) 8.424 17.287 ( 0.000 -8.188 0.000) 8.188 17.287 ( 0.000 8.188 0.000) 8.188 17.733 ( 0.000 -6.362 0.000) 6.362 17.733 ( 0.000 6.362 0.000) 6.362 17.791 ( 0.000 -6.222 0.000) 6.222 17.791 ( 0.000 6.222 0.000) 6.222 18.069 ( 0.000 -13.202 0.000) 13.202 18.069 ( 0.000 13.202 0.000) 13.202 18.828 ( 0.000 -4.866 0.000) 4.866 18.828 ( 0.000 4.866 0.000) 4.866 19.012 ( 0.000 -10.049 0.000) 10.049 19.012 ( 0.000 10.049 0.000) 10.049 27.498 ( 0.000 -0.837 0.000) 0.837 27.498 ( 0.000 0.837 0.000) 0.837 27.617 ( 0.000 -2.633 0.000) 2.633 27.617 ( 0.000 2.633 0.000) 2.633 29.688 ( 0.000 -2.867 0.000) 2.867 29.688 ( 0.000 2.867 0.000) 2.867 29.797 ( 0.000 -3.114 0.000) 3.114 29.797 ( 0.000 3.114 0.000) 3.114 29.985 ( 0.000 -1.647 0.000) 1.647 29.985 ( 0.000 1.647 0.000) 1.647 30.417 ( 0.000 -6.548 0.000) 6.548 30.417 ( 0.000 6.548 0.000) 6.548 32.184 ( 0.000 -13.469 0.000) 13.469 32.184 ( 0.000 13.469 0.000) 13.469 32.513 ( 0.000 -19.991 0.000) 19.991 32.513 ( 0.000 19.991 0.000) 19.991 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -7.068 -37.081 0.000) 37.749 3.402 ( -7.068 37.081 0.000) 37.749 3.515 ( -13.124 -20.383 0.000) 24.243 3.515 ( -13.124 20.383 0.000) 24.243 3.773 ( 3.772 -36.338 0.000) 36.533 3.773 ( 3.772 36.338 0.000) 36.533 4.051 ( -1.442 -18.640 0.000) 18.695 4.051 ( -1.442 18.640 0.000) 18.695 5.229 ( 6.019 -13.783 0.000) 15.040 5.229 ( 6.019 13.783 0.000) 15.040 5.426 ( 10.371 -8.442 0.000) 13.372 5.426 ( 10.371 8.442 0.000) 13.372 5.769 ( 7.786 -10.755 0.000) 13.277 5.769 ( 7.786 10.755 0.000) 13.277 6.491 ( -12.446 -9.786 0.000) 15.833 6.491 ( -12.446 9.786 0.000) 15.833 7.044 ( 7.306 -16.294 0.000) 17.857 7.044 ( 7.306 16.294 0.000) 17.857 7.283 ( 4.615 -14.933 0.000) 15.630 7.283 ( 4.615 14.933 0.000) 15.630 7.846 ( -4.250 -5.474 0.000) 6.930 7.846 ( -4.250 5.474 0.000) 6.930 8.308 ( -11.055 -19.609 0.000) 22.511 8.308 ( -11.055 19.609 0.000) 22.511 9.352 ( 4.808 -3.167 0.000) 5.757 9.352 ( 4.808 3.167 0.000) 5.757 9.632 ( -1.033 -2.815 0.000) 2.999 9.632 ( -1.033 2.815 0.000) 2.999 10.353 ( -0.757 -9.983 0.000) 10.012 10.353 ( -0.757 9.983 0.000) 10.012 10.402 ( 2.234 -3.466 0.000) 4.124 10.402 ( 2.234 3.466 0.000) 4.124 10.847 ( 10.189 -10.126 0.000) 14.365 10.847 ( 10.189 10.126 0.000) 14.365 11.157 ( -4.512 -4.989 0.000) 6.726 11.157 ( -4.512 4.989 0.000) 6.726 11.391 ( -3.216 -10.454 0.000) 10.937 11.391 ( -3.216 10.454 0.000) 10.937 11.809 ( -7.477 -2.689 0.000) 7.946 11.809 ( -7.477 2.689 0.000) 7.946 12.503 ( 6.225 -13.770 0.000) 15.112 12.503 ( 6.225 13.770 0.000) 15.112 12.762 ( 2.628 -9.807 0.000) 10.153 12.762 ( 2.628 9.807 0.000) 10.153 12.908 ( -1.437 -15.559 0.000) 15.625 12.908 ( -1.437 15.559 0.000) 15.625 13.075 ( -4.853 -4.843 0.000) 6.856 13.075 ( -4.853 4.843 0.000) 6.856 13.764 ( -0.242 -12.050 0.000) 12.052 13.764 ( -0.242 12.050 0.000) 12.052 13.837 ( 2.265 -1.822 0.000) 2.907 13.837 ( 2.265 1.822 0.000) 2.907 14.002 ( 8.323 -6.450 0.000) 10.530 14.002 ( 8.323 6.450 0.000) 10.530 14.639 ( -2.131 -2.655 0.000) 3.405 14.639 ( -2.131 2.655 0.000) 3.405 14.642 ( -15.729 -4.332 0.000) 16.314 14.642 ( -15.729 4.332 0.000) 16.314 14.896 ( 7.613 -2.786 0.000) 8.106 14.896 ( 7.613 2.786 0.000) 8.106 15.061 ( -3.280 -6.558 0.000) 7.332 15.061 ( -3.280 6.558 0.000) 7.332 15.341 ( -11.023 -1.419 0.000) 11.114 15.341 ( -11.023 1.419 0.000) 11.114 16.056 ( 14.826 -5.927 0.000) 15.967 16.056 ( 14.826 5.927 0.000) 15.967 16.462 ( 0.088 -9.041 0.000) 9.041 16.462 ( 0.088 9.041 0.000) 9.041 17.350 ( 5.861 -9.518 0.000) 11.178 17.350 ( 5.861 9.518 0.000) 11.178 17.740 ( -4.980 -9.142 0.000) 10.410 17.740 ( -4.980 9.142 0.000) 10.410 17.757 ( 2.663 -7.989 0.000) 8.421 17.757 ( 2.663 7.989 0.000) 8.421 18.046 ( -2.631 -13.969 0.000) 14.215 18.046 ( -2.631 13.969 0.000) 14.215 18.846 ( 1.801 -6.281 0.000) 6.535 18.846 ( 1.801 6.281 0.000) 6.535 18.992 ( -2.005 -10.111 0.000) 10.308 18.992 ( -2.005 10.111 0.000) 10.308 27.511 ( 1.252 -1.049 0.000) 1.633 27.511 ( 1.252 1.049 0.000) 1.633 27.606 ( -1.048 -2.472 0.000) 2.685 27.606 ( -1.048 2.472 0.000) 2.685 29.691 ( 0.423 -1.758 0.000) 1.808 29.691 ( 0.423 1.758 0.000) 1.808 29.780 ( -1.598 -2.757 0.000) 3.187 29.780 ( -1.598 2.757 0.000) 3.187 30.028 ( 4.279 -2.698 0.000) 5.058 30.028 ( 4.279 2.698 0.000) 5.058 30.374 ( -4.247 -5.715 0.000) 7.120 30.374 ( -4.247 5.715 0.000) 7.120 32.221 ( 3.668 -15.700 0.000) 16.122 32.221 ( 3.668 15.700 0.000) 16.122 32.486 ( -2.786 -20.184 0.000) 20.376 32.486 ( -2.786 20.184 0.000) 20.376 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -4.147 -32.269 0.000) 32.534 3.276 ( -4.147 32.269 0.000) 32.534 3.299 ( -7.077 -25.094 0.000) 26.073 3.299 ( -7.077 25.094 0.000) 26.073 3.872 ( 6.111 -32.948 0.000) 33.510 3.872 ( 6.111 32.948 0.000) 33.510 3.986 ( -5.203 -25.762 0.000) 26.282 3.986 ( -5.203 25.762 0.000) 26.282 5.418 ( 11.752 -11.914 0.000) 16.735 5.418 ( 11.752 11.914 0.000) 16.735 5.551 ( 0.248 -6.759 0.000) 6.764 5.551 ( 0.248 6.759 0.000) 6.764 5.940 ( 10.194 -26.119 0.000) 28.038 5.940 ( 10.194 26.119 0.000) 28.038 6.194 ( -16.331 -23.103 0.000) 28.292 6.194 ( -16.331 23.103 0.000) 28.292 7.220 ( 9.874 -12.283 0.000) 15.760 7.220 ( 9.874 12.283 0.000) 15.760 7.349 ( -1.098 -5.910 0.000) 6.011 7.349 ( -1.098 5.910 0.000) 6.011 7.822 ( 5.126 -11.668 0.000) 12.745 7.822 ( 5.126 11.668 0.000) 12.745 8.044 ( -15.033 -19.028 0.000) 24.250 8.044 ( -15.033 19.028 0.000) 24.250 9.464 ( 6.443 -4.432 0.000) 7.820 9.464 ( 6.443 4.432 0.000) 7.820 9.577 ( -4.766 -4.436 0.000) 6.511 9.577 ( -4.766 4.436 0.000) 6.511 10.368 ( 2.374 -2.793 0.000) 3.665 10.368 ( 2.374 2.793 0.000) 3.665 10.416 ( -1.434 -2.150 0.000) 2.584 10.416 ( -1.434 2.150 0.000) 2.584 11.055 ( 7.855 -9.218 0.000) 12.111 11.055 ( 7.855 9.218 0.000) 12.111 11.102 ( -0.749 -9.037 0.000) 9.068 11.102 ( -0.749 9.037 0.000) 9.068 11.367 ( 4.117 -3.948 0.000) 5.704 11.367 ( 4.117 3.948 0.000) 5.704 11.584 ( -14.541 -2.979 0.000) 14.843 11.584 ( -14.541 2.979 0.000) 14.843 12.672 ( 10.201 -9.918 0.000) 14.228 12.672 ( 10.201 9.918 0.000) 14.228 12.796 ( -0.451 -9.414 0.000) 9.425 12.796 ( -0.451 9.414 0.000) 9.425 12.884 ( -0.705 -12.190 0.000) 12.210 12.884 ( -0.705 12.190 0.000) 12.210 12.939 ( -7.783 -0.972 0.000) 7.844 12.939 ( -7.783 0.972 0.000) 7.844 13.824 ( 4.794 -5.580 0.000) 7.357 13.824 ( 4.794 5.580 0.000) 7.357 13.871 ( 0.395 -3.744 0.000) 3.764 13.871 ( 0.395 3.744 0.000) 3.764 14.148 ( 7.478 -2.303 0.000) 7.825 14.148 ( 7.478 2.303 0.000) 7.825 14.344 ( -13.737 -6.830 0.000) 15.341 14.344 ( -13.737 6.830 0.000) 15.341 14.689 ( 7.964 -6.949 0.000) 10.569 14.689 ( 7.964 6.949 0.000) 10.569 14.905 ( -12.264 -9.265 0.000) 15.370 14.905 ( -12.264 9.265 0.000) 15.370 15.036 ( 6.773 -1.218 0.000) 6.882 15.036 ( 6.773 1.218 0.000) 6.882 15.161 ( -7.090 -0.909 0.000) 7.148 15.161 ( -7.090 0.909 0.000) 7.148 16.311 ( 10.416 -9.423 0.000) 14.045 16.311 ( 10.416 9.423 0.000) 14.045 16.439 ( -3.267 -10.083 0.000) 10.599 16.439 ( -3.267 10.083 0.000) 10.599 17.481 ( 7.307 -11.376 0.000) 13.521 17.481 ( 7.307 11.376 0.000) 13.521 17.620 ( -7.076 -11.362 0.000) 13.385 17.620 ( -7.076 11.362 0.000) 13.385 17.841 ( 5.995 -11.235 0.000) 12.734 17.841 ( 5.995 11.235 0.000) 12.734 17.963 ( -5.909 -13.589 0.000) 14.818 17.963 ( -5.909 13.589 0.000) 14.818 18.890 ( 2.676 -8.536 0.000) 8.946 18.890 ( 2.676 8.536 0.000) 8.946 18.944 ( -2.811 -9.851 0.000) 10.244 18.944 ( -2.811 9.851 0.000) 10.244 27.542 ( 1.912 -1.517 0.000) 2.440 27.542 ( 1.912 1.517 0.000) 2.440 27.579 ( -1.787 -2.048 0.000) 2.718 27.579 ( -1.787 2.048 0.000) 2.718 29.708 ( 1.419 -0.246 0.000) 1.440 29.708 ( 1.419 0.246 0.000) 1.440 29.743 ( -2.082 -1.769 0.000) 2.732 29.743 ( -2.082 1.769 0.000) 2.732 30.136 ( 6.628 -4.424 0.000) 7.969 30.136 ( 6.628 4.424 0.000) 7.969 30.267 ( -6.650 -5.104 0.000) 8.383 30.267 ( -6.650 5.104 0.000) 8.383 32.311 ( 5.355 -18.911 0.000) 19.654 32.311 ( 5.355 18.911 0.000) 19.654 32.412 ( -4.830 -20.236 0.000) 20.805 32.412 ( -4.830 20.236 0.000) 20.805 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 0.000 41.054) 41.054 0.964 ( 0.000 0.000 46.873) 46.873 1.448 ( 0.000 0.000 69.731) 69.731 2.819 ( 0.000 0.000 11.510) 11.510 3.302 ( 0.000 0.000 6.746) 6.746 4.003 ( 0.000 0.000 6.955) 6.955 4.043 ( 0.000 0.000 -3.448) 3.448 4.138 ( 0.000 0.000 0.384) 0.384 4.533 ( 0.000 0.000 -11.306) 11.306 5.023 ( 0.000 0.000 15.250) 15.250 5.034 ( 0.000 0.000 3.271) 3.271 5.356 ( 0.000 0.000 -0.941) 0.941 5.722 ( 0.000 0.000 1.255) 1.255 5.800 ( 0.000 0.000 14.706) 14.706 5.895 ( 0.000 0.000 -6.700) 6.700 6.364 ( 0.000 0.000 -11.117) 11.117 6.552 ( 0.000 0.000 -2.627) 2.627 6.804 ( 0.000 0.000 1.997) 1.997 6.807 ( 0.000 0.000 -9.057) 9.057 7.032 ( 0.000 0.000 -16.183) 16.183 7.414 ( 0.000 0.000 -25.374) 25.374 7.527 ( 0.000 0.000 -23.836) 23.836 8.027 ( 0.000 0.000 -2.059) 2.059 9.114 ( 0.000 0.000 -17.422) 17.422 9.533 ( 0.000 0.000 -1.063) 1.063 9.700 ( 0.000 0.000 0.099) 0.099 9.736 ( 0.000 0.000 -4.087) 4.087 9.829 ( 0.000 0.000 -6.272) 6.272 10.106 ( 0.000 0.000 -5.584) 5.584 10.307 ( 0.000 0.000 -25.173) 25.173 10.430 ( 0.000 0.000 15.504) 15.504 10.479 ( 0.000 0.000 6.000) 6.000 10.859 ( 0.000 0.000 17.222) 17.222 11.015 ( 0.000 0.000 7.649) 7.649 11.623 ( 0.000 0.000 6.448) 6.448 11.784 ( 0.000 0.000 -3.823) 3.823 11.829 ( 0.000 0.000 -12.835) 12.835 11.881 ( 0.000 0.000 -2.814) 2.814 12.199 ( 0.000 0.000 4.081) 4.081 12.203 ( 0.000 0.000 -4.380) 4.380 12.321 ( 0.000 0.000 8.616) 8.616 12.397 ( 0.000 0.000 -3.993) 3.993 12.556 ( 0.000 0.000 7.087) 7.087 12.673 ( 0.000 0.000 -0.561) 0.561 12.746 ( 0.000 0.000 -12.433) 12.433 13.164 ( 0.000 0.000 12.080) 12.080 13.212 ( 0.000 0.000 16.572) 16.572 13.410 ( 0.000 0.000 -4.444) 4.444 13.524 ( 0.000 0.000 7.331) 7.331 13.658 ( 0.000 0.000 0.492) 0.492 14.016 ( 0.000 0.000 17.334) 17.334 14.061 ( 0.000 0.000 -28.033) 28.033 14.255 ( 0.000 0.000 -4.814) 4.814 14.354 ( 0.000 0.000 0.531) 0.531 14.361 ( 0.000 0.000 6.800) 6.800 14.491 ( 0.000 0.000 5.734) 5.734 14.496 ( 0.000 0.000 -4.698) 4.698 14.810 ( 0.000 0.000 -4.620) 4.620 14.827 ( 0.000 0.000 -6.901) 6.901 14.913 ( 0.000 0.000 3.793) 3.793 15.076 ( 0.000 0.000 5.276) 5.276 15.536 ( 0.000 0.000 -0.829) 0.829 15.540 ( 0.000 0.000 20.325) 20.325 15.564 ( 0.000 0.000 0.196) 0.196 15.833 ( 0.000 0.000 -2.647) 2.647 16.270 ( 0.000 0.000 -14.155) 14.155 16.326 ( 0.000 0.000 -11.658) 11.658 16.556 ( 0.000 0.000 8.368) 8.368 17.158 ( 0.000 0.000 16.250) 16.250 17.419 ( 0.000 0.000 -10.291) 10.291 17.544 ( 0.000 0.000 3.124) 3.124 17.671 ( 0.000 0.000 2.853) 2.853 17.729 ( 0.000 0.000 1.869) 1.869 18.071 ( 0.000 0.000 11.604) 11.604 18.089 ( 0.000 0.000 1.028) 1.028 18.153 ( 0.000 0.000 14.737) 14.737 18.396 ( 0.000 0.000 -0.846) 0.846 18.450 ( 0.000 0.000 -1.665) 1.665 18.580 ( 0.000 0.000 3.675) 3.675 19.578 ( 0.000 0.000 -13.186) 13.186 27.421 ( 0.000 0.000 1.524) 1.524 27.458 ( 0.000 0.000 2.234) 2.234 27.531 ( 0.000 0.000 0.917) 0.917 27.707 ( 0.000 0.000 1.846) 1.846 29.641 ( 0.000 0.000 2.820) 2.820 29.800 ( 0.000 0.000 2.181) 2.181 29.823 ( 0.000 0.000 4.322) 4.322 30.146 ( 0.000 0.000 2.128) 2.128 30.152 ( 0.000 0.000 -2.199) 2.199 30.285 ( 0.000 0.000 3.603) 3.603 30.652 ( 0.000 0.000 -2.184) 2.184 30.763 ( 0.000 0.000 19.254) 19.254 30.874 ( 0.000 0.000 -3.460) 3.460 31.024 ( 0.000 0.000 -0.084) 0.084 32.688 ( 0.000 0.000 -3.615) 3.615 33.510 ( 0.000 0.000 -9.892) 9.892 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 23.678 0.000 36.507) 43.514 1.303 ( 30.506 0.000 32.868) 44.843 1.906 ( 47.173 0.000 47.129) 66.682 2.671 ( -14.947 0.000 13.079) 19.861 3.036 ( -24.744 0.000 8.989) 26.326 4.146 ( 13.831 0.000 6.558) 15.307 4.216 ( 8.073 0.000 -0.511) 8.089 4.281 ( 21.954 0.000 -1.502) 22.006 4.608 ( -2.069 0.000 -7.859) 8.127 4.836 ( -8.450 0.000 9.921) 13.032 4.961 ( -7.603 0.000 1.655) 7.781 5.142 ( -16.635 0.000 -0.112) 16.635 5.601 ( -11.338 0.000 1.394) 11.423 5.869 ( 4.841 0.000 10.152) 11.247 6.128 ( 17.028 0.000 -7.606) 18.650 6.376 ( 3.588 0.000 -8.546) 9.269 6.432 ( -13.535 0.000 -3.672) 14.024 6.621 ( -12.548 0.000 -0.648) 12.565 6.726 ( -7.704 0.000 1.536) 7.855 7.113 ( 6.096 0.000 -17.680) 18.702 7.339 ( -10.076 0.000 -22.606) 24.750 7.485 ( -4.325 0.000 -24.112) 24.497 8.118 ( 11.377 0.000 -3.985) 12.055 9.055 ( -6.939 0.000 -16.081) 17.514 9.540 ( 0.836 0.000 -1.607) 1.811 9.681 ( -2.072 0.000 -0.661) 2.175 9.740 ( 0.691 0.000 -5.177) 5.223 9.802 ( -1.142 0.000 -3.924) 4.087 10.024 ( -5.969 0.000 -4.780) 7.647 10.099 ( -13.899 0.000 -10.753) 17.573 10.513 ( 7.456 0.000 11.672) 13.850 10.583 ( 6.561 0.000 -10.257) 12.176 10.898 ( 2.598 0.000 15.335) 15.554 11.152 ( 1.910 0.000 0.496) 1.973 11.414 ( -1.172 0.000 10.950) 11.012 11.651 ( -8.057 0.000 0.217) 8.060 11.861 ( -3.940 0.000 -4.849) 6.247 12.141 ( 11.915 0.000 -1.924) 12.070 12.200 ( -0.145 0.000 3.719) 3.722 12.221 ( -5.000 0.000 -2.695) 5.680 12.328 ( -7.743 0.000 16.112) 17.876 12.334 ( 6.319 0.000 -0.641) 6.351 12.593 ( -1.222 0.000 1.951) 2.302 12.626 ( -24.894 0.000 27.916) 37.403 12.724 ( 6.774 0.000 4.607) 8.192 12.815 ( 0.013 0.000 -9.107) 9.107 13.141 ( -2.861 0.000 11.871) 12.211 13.243 ( 3.872 0.000 13.315) 13.867 13.487 ( -3.843 0.000 6.892) 7.891 13.617 ( -0.982 0.000 0.171) 0.997 13.858 ( 4.675 0.000 -6.533) 8.033 13.974 ( -20.337 0.000 6.049) 21.217 14.270 ( 2.851 0.000 3.543) 4.547 14.277 ( -0.096 0.000 -2.362) 2.364 14.386 ( -2.738 0.000 1.723) 3.235 14.400 ( -5.357 0.000 -10.024) 11.366 14.543 ( 2.430 0.000 0.267) 2.444 14.751 ( 16.414 0.000 4.189) 16.941 14.802 ( -3.492 0.000 -5.760) 6.736 14.984 ( 3.501 0.000 7.128) 7.942 15.161 ( 0.299 0.000 9.856) 9.860 15.422 ( -7.409 0.000 0.663) 7.439 15.654 ( 4.858 0.000 -1.213) 5.007 15.823 ( -1.050 0.000 -2.574) 2.780 15.828 ( 6.943 0.000 6.255) 9.345 16.140 ( -0.704 0.000 -19.296) 19.308 16.309 ( -1.781 0.000 -11.618) 11.753 16.666 ( -13.533 0.000 9.129) 16.324 17.165 ( 3.241 0.000 14.003) 14.373 17.333 ( -5.665 0.000 9.129) 10.743 17.568 ( 2.381 0.000 2.962) 3.800 17.717 ( -1.229 0.000 1.959) 2.313 17.784 ( 11.536 0.000 -0.950) 11.575 18.036 ( -1.463 0.000 9.814) 9.922 18.165 ( 6.523 0.000 -2.756) 7.081 18.398 ( 0.297 0.000 -0.919) 0.966 18.442 ( -0.731 0.000 -1.579) 1.740 18.486 ( 3.953 0.000 -5.912) 7.111 18.718 ( 22.135 0.000 -14.458) 26.438 19.533 ( -5.167 0.000 -13.437) 14.396 27.423 ( 0.266 0.000 1.462) 1.486 27.451 ( -0.560 0.000 1.875) 1.957 27.550 ( 1.877 0.000 1.197) 2.226 27.691 ( -1.565 0.000 1.825) 2.404 29.654 ( 1.327 0.000 2.769) 3.071 29.782 ( -1.789 0.000 2.256) 2.879 29.838 ( 1.576 0.000 4.933) 5.179 30.088 ( -5.484 0.000 3.371) 6.437 30.161 ( -0.424 0.000 -0.700) 0.818 30.220 ( -6.359 0.000 5.609) 8.479 30.595 ( -11.606 0.000 25.793) 28.284 30.676 ( 2.396 0.000 -2.318) 3.334 30.736 ( -3.265 0.000 19.707) 19.975 30.855 ( -1.954 0.000 -3.347) 3.876 33.143 ( 20.579 0.000 -25.429) 32.712 33.501 ( -1.038 0.000 -11.026) 11.075 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 29.137 0.000 24.476) 38.053 1.878 ( 30.848 0.000 26.040) 40.369 2.278 ( -25.206 0.000 17.307) 30.576 2.477 ( -30.843 0.000 15.793) 34.651 2.975 ( 57.541 0.000 25.912) 63.106 3.999 ( -46.998 0.000 16.906) 49.946 4.432 ( 14.122 0.000 -2.359) 14.317 4.469 ( 17.433 0.000 5.979) 18.430 4.744 ( -14.190 0.000 -2.618) 14.430 4.769 ( 25.896 0.000 -0.840) 25.909 4.821 ( -16.326 0.000 3.664) 16.732 5.082 ( 8.919 0.000 -14.983) 17.437 5.367 ( -2.037 0.000 -1.290) 2.412 5.757 ( -22.448 0.000 -10.698) 24.867 6.254 ( 3.660 0.000 12.432) 12.959 6.348 ( 8.249 0.000 -4.224) 9.267 6.418 ( -10.033 0.000 8.576) 13.199 6.532 ( -9.685 0.000 -0.572) 9.701 6.638 ( 19.323 0.000 -9.821) 21.676 7.034 ( -19.912 0.000 -15.768) 25.399 7.239 ( 7.020 0.000 -21.408) 22.529 7.374 ( -6.800 0.000 -23.799) 24.751 8.445 ( 20.658 0.000 -9.012) 22.539 8.824 ( -17.079 0.000 -12.876) 21.389 9.569 ( 2.213 0.000 -2.087) 3.042 9.624 ( -3.365 0.000 -1.428) 3.655 9.774 ( 3.186 0.000 -7.275) 7.942 9.828 ( 3.575 0.000 -5.196) 6.308 9.879 ( -8.359 0.000 -8.626) 12.012 9.916 ( -5.268 0.000 -5.972) 7.963 10.688 ( 10.422 0.000 10.657) 14.906 10.730 ( 9.329 0.000 -10.367) 13.947 10.872 ( -6.788 0.000 12.016) 13.801 10.948 ( -13.292 0.000 -6.455) 14.776 11.550 ( -0.028 0.000 10.704) 10.704 11.662 ( -10.667 0.000 9.869) 14.532 11.692 ( 18.671 0.000 10.237) 21.293 12.007 ( -13.882 0.000 3.666) 14.358 12.192 ( -0.784 0.000 10.516) 10.545 12.195 ( -0.373 0.000 4.315) 4.331 12.307 ( 7.538 0.000 -2.083) 7.821 12.440 ( -4.686 0.000 -3.148) 5.645 12.625 ( 8.836 0.000 3.088) 9.360 12.669 ( 12.000 0.000 5.998) 13.415 12.791 ( -6.070 0.000 1.925) 6.368 12.821 ( -0.806 0.000 9.471) 9.505 13.122 ( 4.685 0.000 3.196) 5.672 13.287 ( -5.667 0.000 3.766) 6.804 13.427 ( 3.557 0.000 12.206) 12.713 13.621 ( -15.045 0.000 11.373) 18.860 13.686 ( 8.293 0.000 -6.550) 10.568 13.860 ( -6.818 0.000 -9.196) 11.448 14.286 ( 1.215 0.000 -0.885) 1.503 14.313 ( 4.742 0.000 -5.584) 7.326 14.327 ( -2.935 0.000 0.749) 3.029 14.381 ( -1.192 0.000 -7.967) 8.055 14.623 ( 5.379 0.000 -1.179) 5.506 14.724 ( -4.673 0.000 -4.610) 6.565 15.036 ( 13.267 0.000 2.765) 13.552 15.064 ( 4.439 0.000 7.351) 8.588 15.139 ( -2.787 0.000 9.032) 9.452 15.257 ( -9.981 0.000 1.689) 10.123 15.736 ( 3.617 0.000 -1.932) 4.101 15.792 ( -2.256 0.000 -2.351) 3.259 15.931 ( 9.219 0.000 16.760) 19.128 16.190 ( -1.688 0.000 -8.552) 8.717 16.230 ( -7.744 0.000 -4.898) 9.163 16.307 ( -11.282 0.000 -9.063) 14.472 17.227 ( 2.667 0.000 13.558) 13.818 17.269 ( -2.101 0.000 12.560) 12.735 17.625 ( 3.237 0.000 2.589) 4.145 17.681 ( -2.521 0.000 2.214) 3.356 17.932 ( 4.661 0.000 5.730) 7.386 17.998 ( -2.580 0.000 8.347) 8.736 18.322 ( 8.231 0.000 -3.023) 8.768 18.408 ( 0.713 0.000 -1.112) 1.321 18.425 ( -0.987 0.000 -1.363) 1.682 18.447 ( -4.765 0.000 -2.037) 5.182 19.104 ( 16.777 0.000 -19.785) 25.940 19.373 ( -11.424 0.000 -15.185) 19.002 27.430 ( 0.455 0.000 1.404) 1.476 27.440 ( -0.575 0.000 1.507) 1.613 27.596 ( 2.786 0.000 1.538) 3.183 27.650 ( -2.643 0.000 1.738) 3.163 29.690 ( 2.316 0.000 2.628) 3.503 29.738 ( -2.589 0.000 2.434) 3.554 29.883 ( 3.171 0.000 6.784) 7.488 29.964 ( -5.550 0.000 9.220) 10.762 30.146 ( -0.341 0.000 -0.347) 0.486 30.156 ( -1.291 0.000 -0.599) 1.424 30.570 ( 3.589 0.000 20.010) 20.329 30.657 ( -4.766 0.000 19.450) 20.026 30.735 ( 3.582 0.000 -2.653) 4.458 30.804 ( -3.321 0.000 -3.044) 4.505 33.376 ( 6.830 0.000 -18.102) 19.348 33.464 ( -3.010 0.000 -13.487) 13.819 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 27.296 27.776) 38.943 1.190 ( 0.000 29.651 29.503) 41.829 2.176 ( 0.000 52.607 50.954) 73.238 2.900 ( 0.000 7.939 12.762) 15.030 3.368 ( 0.000 6.391 8.754) 10.838 4.073 ( 0.000 4.373 -1.332) 4.572 4.175 ( 0.000 11.674 0.144) 11.675 4.354 ( 0.000 19.272 -3.513) 19.590 4.457 ( 0.000 -0.632 -9.540) 9.561 5.161 ( 0.000 10.999 6.239) 12.645 5.250 ( 0.000 18.797 7.290) 20.161 5.257 ( 0.000 -8.674 13.057) 15.676 5.608 ( 0.000 -9.456 2.239) 9.717 5.834 ( 0.000 -3.653 -5.295) 6.433 5.981 ( 0.000 15.594 2.818) 15.846 6.145 ( 0.000 -22.327 -2.829) 22.506 6.383 ( 0.000 -5.141 -11.591) 12.680 6.920 ( 0.000 7.894 -15.889) 17.742 6.997 ( 0.000 11.696 -7.823) 14.071 7.211 ( 0.000 14.229 -6.197) 15.520 7.276 ( 0.000 -6.824 -18.364) 19.591 7.645 ( 0.000 6.132 -19.573) 20.511 7.957 ( 0.000 -6.581 -2.878) 7.182 9.006 ( 0.000 -9.206 -15.935) 18.403 9.535 ( 0.000 -0.636 -1.337) 1.481 9.678 ( 0.000 -1.038 2.491) 2.699 9.752 ( 0.000 -1.577 -8.873) 9.013 9.781 ( 0.000 -3.321 -5.261) 6.221 9.983 ( 0.000 -7.190 0.237) 7.194 10.275 ( 0.000 -2.888 1.093) 3.088 10.496 ( 0.000 8.357 -9.463) 12.625 10.504 ( 0.000 1.287 3.515) 3.743 10.787 ( 0.000 -6.207 15.943) 17.109 11.110 ( 0.000 8.751 7.947) 11.821 11.580 ( 0.000 -4.887 -3.234) 5.861 11.650 ( 0.000 -9.680 -0.225) 9.683 11.901 ( 0.000 -8.477 -2.149) 8.746 11.909 ( 0.000 5.704 -1.488) 5.895 11.959 ( 0.000 -12.568 7.954) 14.874 12.043 ( 0.000 -8.831 -2.845) 9.278 12.175 ( 0.000 -36.025 27.690) 45.437 12.334 ( 0.000 -1.484 1.888) 2.401 12.401 ( 0.000 -1.668 -3.945) 4.283 12.662 ( 0.000 9.422 3.315) 9.988 12.777 ( 0.000 1.279 -8.401) 8.498 12.822 ( 0.000 5.566 4.012) 6.861 13.239 ( 0.000 6.770 12.709) 14.400 13.468 ( 0.000 1.597 4.194) 4.488 13.620 ( 0.000 -3.981 1.976) 4.444 13.675 ( 0.000 10.976 4.374) 11.815 13.985 ( 0.000 -0.761 15.189) 15.208 14.179 ( 0.000 0.679 -10.767) 10.788 14.217 ( 0.000 -12.496 0.682) 12.515 14.382 ( 0.000 9.481 -2.319) 9.760 14.387 ( 0.000 -12.045 1.632) 12.155 14.452 ( 0.000 2.107 -8.490) 8.747 14.524 ( 0.000 3.615 3.157) 4.800 14.808 ( 0.000 -0.188 -4.431) 4.435 14.827 ( 0.000 0.354 -5.729) 5.740 14.990 ( 0.000 7.365 -0.777) 7.406 15.115 ( 0.000 3.265 7.231) 7.934 15.288 ( 0.000 -5.732 8.087) 9.912 15.531 ( 0.000 -7.929 1.703) 8.110 15.562 ( 0.000 -0.247 -1.154) 1.180 16.061 ( 0.000 5.384 5.153) 7.453 16.246 ( 0.000 -5.425 -2.460) 5.957 16.319 ( 0.000 -9.943 18.589) 21.081 16.390 ( 0.000 8.872 -22.040) 23.759 17.161 ( 0.000 -0.769 12.873) 12.896 17.281 ( 0.000 2.138 4.989) 5.428 17.511 ( 0.000 -11.791 3.931) 12.429 17.640 ( 0.000 -0.650 -1.618) 1.743 17.699 ( 0.000 -1.029 6.076) 6.163 18.073 ( 0.000 -1.907 -2.910) 3.479 18.157 ( 0.000 4.768 8.525) 9.768 18.316 ( 0.000 6.445 -13.030) 14.537 18.448 ( 0.000 4.716 -0.881) 4.797 18.558 ( 0.000 -0.951 2.765) 2.924 18.796 ( 0.000 15.982 -4.121) 16.505 19.513 ( 0.000 -6.024 -12.153) 13.564 27.435 ( 0.000 1.301 1.710) 2.148 27.468 ( 0.000 1.130 1.917) 2.225 27.530 ( 0.000 -0.062 0.989) 0.991 27.706 ( 0.000 -0.109 1.875) 1.878 29.738 ( 0.000 1.901 0.207) 1.912 29.777 ( 0.000 -1.035 1.542) 1.857 29.873 ( 0.000 4.733 2.882) 5.542 30.072 ( 0.000 -6.934 -1.406) 7.075 30.170 ( 0.000 2.265 2.696) 3.521 30.211 ( 0.000 -5.681 2.691) 6.286 30.422 ( 0.000 -11.395 11.196) 15.975 30.802 ( 0.000 -3.697 -0.206) 3.703 31.087 ( 0.000 18.176 0.563) 18.185 31.232 ( 0.000 16.730 1.357) 16.785 32.653 ( 0.000 -3.340 -4.022) 5.228 33.393 ( 0.000 -9.455 -7.407) 12.010 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 21.344 16.912 26.936) 38.303 1.571 ( 26.725 24.126 24.977) 43.819 2.498 ( 33.021 46.240 39.694) 69.311 2.759 ( -14.163 8.164 14.405) 21.789 3.129 ( -22.477 8.953 9.851) 26.123 4.234 ( 7.520 3.932 -1.283) 8.582 4.251 ( 13.565 4.652 -4.227) 14.950 4.414 ( 11.186 14.043 4.309) 18.463 4.636 ( 9.232 -0.271 -12.283) 15.368 4.995 ( -18.268 18.230 11.405) 28.216 5.115 ( -3.972 7.102 3.246) 8.760 5.217 ( -6.079 12.878 5.924) 15.424 5.512 ( -9.654 -8.128 1.055) 12.664 5.867 ( -0.524 -6.332 4.067) 7.544 6.059 ( 5.492 4.859 -5.103) 8.934 6.107 ( -2.924 -22.142 1.512) 22.385 6.438 ( 7.021 0.381 -11.204) 13.227 6.677 ( -15.156 9.275 -12.915) 21.967 7.032 ( -6.301 16.557 0.500) 17.722 7.190 ( 1.850 7.319 -15.401) 17.151 7.232 ( -4.343 -6.169 -19.127) 20.561 7.588 ( -8.092 6.527 -18.449) 21.177 8.059 ( 12.578 -5.671 -5.247) 14.761 8.951 ( -6.366 -8.963 -15.538) 19.034 9.531 ( 0.021 -1.374 -0.823) 1.602 9.658 ( -2.257 -1.135 1.340) 2.859 9.740 ( 0.265 -1.715 -6.846) 7.062 9.805 ( 1.823 0.061 -7.381) 7.603 9.966 ( -1.526 -2.625 -1.221) 3.273 10.213 ( -11.871 8.511 -8.990) 17.152 10.396 ( 6.682 -6.383 11.623) 14.848 10.652 ( 6.223 4.453 -8.681) 11.573 10.826 ( 2.589 -6.106 14.360) 15.818 11.212 ( 0.533 4.756 0.201) 4.790 11.463 ( 0.765 1.410 8.589) 8.738 11.638 ( -12.404 -2.494 6.170) 14.077 11.686 ( -8.709 -14.025 1.090) 16.545 11.942 ( 2.324 -19.882 15.816) 25.511 11.995 ( 2.725 -11.983 1.633) 12.397 12.124 ( 1.077 -11.911 0.938) 11.996 12.214 ( 0.934 -2.086 -3.473) 4.157 12.339 ( 3.529 -4.032 3.801) 6.570 12.355 ( 3.596 -0.364 -0.538) 3.654 12.707 ( 1.797 6.890 2.448) 7.530 12.752 ( -0.660 1.882 -6.058) 6.377 12.926 ( 8.303 7.068 5.032) 12.009 13.227 ( -2.451 5.416 11.188) 12.669 13.448 ( -2.519 5.794 10.964) 12.654 13.511 ( -4.198 3.275 -1.168) 5.451 13.773 ( -6.468 9.878 1.855) 11.952 13.860 ( 0.394 -1.282 -5.259) 5.427 13.922 ( -9.985 -2.002 9.459) 13.899 14.275 ( -1.061 -4.701 -2.280) 5.331 14.335 ( -2.266 1.588 -2.916) 4.020 14.408 ( -4.310 -0.406 7.347) 8.528 14.480 ( -3.575 1.421 -3.605) 5.273 14.496 ( -1.631 7.494 -5.857) 9.650 14.719 ( 14.419 -1.060 3.622) 14.904 14.799 ( -3.576 -0.399 -6.148) 7.124 14.988 ( 3.059 0.559 7.396) 8.023 15.144 ( 0.729 -1.688 11.077) 11.228 15.407 ( -8.348 -2.646 -0.096) 8.758 15.555 ( 9.415 -5.796 -2.774) 11.399 15.632 ( 3.343 -5.729 3.487) 7.494 16.037 ( -1.884 5.906 4.310) 7.550 16.223 ( -1.929 -2.128 -4.320) 5.188 16.268 ( 0.051 0.788 -13.595) 13.618 16.539 ( -0.193 -4.515 0.062) 4.520 17.145 ( 1.844 -2.322 13.860) 14.173 17.306 ( 1.291 3.418 7.135) 8.017 17.490 ( -1.291 -11.979 3.201) 12.467 17.600 ( -5.208 -0.847 4.636) 7.024 17.764 ( 10.137 -2.344 0.892) 10.443 18.122 ( -2.296 2.317 6.742) 7.490 18.150 ( 5.399 -0.192 0.050) 5.403 18.374 ( 3.174 1.662 -7.515) 8.325 18.465 ( 0.684 4.674 -2.840) 5.512 18.541 ( -2.196 -0.188 2.606) 3.413 18.890 ( 9.801 8.908 -12.359) 18.115 19.474 ( -4.413 -5.444 -11.931) 13.837 27.437 ( 0.230 1.274 1.633) 2.084 27.463 ( -0.498 1.172 1.660) 2.092 27.550 ( 1.876 -0.042 1.300) 2.282 27.690 ( -1.572 -0.112 1.858) 2.436 29.738 ( 0.014 2.439 0.234) 2.450 29.773 ( -0.529 -0.322 1.930) 2.026 29.867 ( -0.206 2.783 4.251) 5.086 30.058 ( -2.240 -5.680 -0.314) 6.114 30.133 ( -2.456 0.138 1.677) 2.977 30.174 ( -5.152 -2.925 4.249) 7.291 30.450 ( 2.655 -9.636 11.362) 15.132 30.616 ( -10.633 1.221 13.275) 17.052 31.023 ( -2.614 18.530 -1.039) 18.743 31.142 ( -4.123 20.709 5.403) 21.796 32.981 ( 19.835 -12.631 -16.386) 28.661 33.384 ( -0.998 -9.713 -8.559) 12.984 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 28.957 10.125 20.305) 36.787 2.072 ( 24.095 17.035 21.184) 36.326 2.392 ( -21.946 10.283 18.583) 30.540 2.625 ( -27.803 13.578 15.344) 34.537 3.314 ( 47.402 30.744 23.455) 61.175 4.120 ( -28.939 11.197 8.552) 32.186 4.525 ( 4.154 7.689 1.839) 8.931 4.647 ( -1.179 -5.704 -4.953) 7.646 4.690 ( 12.512 3.383 -0.560) 12.974 4.789 ( 15.118 13.960 3.934) 20.950 5.011 ( -13.868 17.862 3.271) 22.849 5.154 ( -12.781 2.801 -5.233) 14.092 5.419 ( 16.517 8.651 -5.112) 19.334 5.859 ( -20.018 5.358 -7.012) 21.877 5.891 ( 3.465 -18.934 8.719) 21.131 6.035 ( -9.777 -16.411 3.055) 19.345 6.593 ( 6.647 7.576 -7.954) 12.839 6.648 ( 10.317 0.354 -12.554) 16.253 6.874 ( -4.462 15.576 -1.253) 16.251 7.052 ( -13.257 3.945 -13.002) 18.983 7.276 ( 4.936 3.514 -17.396) 18.421 7.401 ( -8.749 3.331 -17.740) 20.058 8.389 ( 19.666 -5.474 -10.214) 22.826 8.741 ( -15.600 -7.662 -13.652) 22.100 9.549 ( 1.907 -1.533 -0.675) 2.538 9.600 ( -3.240 -1.402 0.043) 3.530 9.779 ( 3.382 -0.568 -6.225) 7.107 9.832 ( -0.441 -0.602 -7.918) 7.953 9.940 ( 0.298 5.881 -3.493) 6.847 10.017 ( -7.290 9.391 -6.657) 13.626 10.586 ( 11.725 -7.216 9.538) 16.748 10.777 ( 0.798 0.164 -2.475) 2.606 10.809 ( 0.711 -2.347 6.219) 6.685 11.012 ( -13.547 4.640 -5.372) 15.294 11.447 ( -2.923 -9.694 14.725) 17.870 11.508 ( -6.899 -9.621 7.337) 13.928 11.699 ( 14.943 -1.956 8.616) 17.359 11.938 ( -8.048 -8.154 6.605) 13.224 12.077 ( 3.427 -9.040 -2.349) 9.949 12.133 ( -2.536 -2.626 -2.102) 4.213 12.185 ( 7.107 -10.235 -0.309) 12.465 12.316 ( -4.544 -7.611 2.821) 9.303 12.619 ( 13.126 -1.784 -0.232) 13.249 12.721 ( 0.625 1.609 4.294) 4.628 12.778 ( 3.768 4.794 0.019) 6.097 12.970 ( -8.506 8.044 8.927) 14.723 13.193 ( 4.703 3.548 1.528) 6.086 13.364 ( -9.973 4.153 0.080) 10.803 13.477 ( 4.548 4.668 12.421) 14.026 13.622 ( -8.943 1.768 8.170) 12.241 13.799 ( 5.348 8.552 -1.955) 10.275 13.940 ( -3.716 6.425 -5.724) 9.373 14.226 ( -1.792 -4.937 -1.774) 5.544 14.251 ( -2.842 -1.970 0.444) 3.487 14.390 ( 3.339 3.354 -2.650) 5.424 14.455 ( -2.499 2.858 -6.271) 7.330 14.578 ( 7.003 -3.056 0.698) 7.673 14.706 ( -5.812 -1.233 -4.464) 7.431 14.979 ( 11.886 -3.243 2.583) 12.589 15.066 ( 3.721 -0.465 8.169) 8.989 15.148 ( -0.557 0.041 10.541) 10.556 15.227 ( -9.943 -2.175 1.587) 10.301 15.640 ( 3.070 -8.947 4.349) 10.410 15.683 ( 0.204 -5.413 1.609) 5.651 16.022 ( 1.575 3.288 6.259) 7.244 16.123 ( -7.633 -6.034 7.473) 12.268 16.315 ( 3.848 8.733 -20.749) 22.839 16.414 ( -7.226 8.851 -12.148) 16.678 17.228 ( 4.934 -2.221 14.075) 15.079 17.300 ( -2.173 3.141 11.532) 12.148 17.488 ( 1.257 -10.911 2.298) 11.221 17.529 ( -2.774 -6.595 3.872) 8.135 17.937 ( 7.042 -0.893 4.492) 8.401 18.047 ( -4.830 1.753 6.883) 8.589 18.301 ( 8.987 -1.981 -1.582) 9.338 18.418 ( 1.553 1.227 -2.657) 3.313 18.447 ( -3.326 1.567 -2.447) 4.417 18.468 ( -4.033 2.164 -0.225) 4.582 19.119 ( 12.620 0.473 -15.228) 19.783 19.338 ( -9.695 -3.372 -12.819) 16.423 27.443 ( 0.410 1.246 1.505) 1.997 27.452 ( -0.528 1.228 1.475) 1.990 27.596 ( 2.773 -0.060 1.627) 3.215 27.649 ( -2.634 -0.095 1.789) 3.185 29.741 ( 0.450 2.703 1.182) 2.985 29.757 ( -1.051 1.506 2.224) 2.884 29.884 ( 2.220 -0.275 6.591) 6.960 29.960 ( -5.835 -1.098 7.516) 9.578 30.102 ( -0.472 -2.613 0.520) 2.705 30.109 ( -1.258 -3.155 0.200) 3.403 30.502 ( 2.318 -5.875 11.823) 13.404 30.533 ( -1.198 -1.673 13.537) 13.692 31.013 ( 1.312 18.471 -0.138) 18.518 31.066 ( -3.767 19.636 3.021) 20.221 33.241 ( 8.395 -12.054 -15.454) 21.321 33.346 ( -3.291 -10.431 -11.515) 15.882 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 41.118 5.104) 41.433 1.919 ( 0.000 39.451 18.647) 43.636 3.134 ( 0.000 14.303 14.897) 20.652 3.309 ( 0.000 54.549 36.503) 65.636 3.555 ( 0.000 11.526 10.067) 15.303 4.117 ( 0.000 -1.756 -5.344) 5.625 4.318 ( 0.000 2.761 -11.813) 12.131 4.697 ( 0.000 19.396 5.969) 20.293 4.783 ( 0.000 12.850 -12.883) 18.196 5.073 ( 0.000 -6.498 18.564) 19.669 5.121 ( 0.000 -11.654 -3.034) 12.042 5.503 ( 0.000 4.233 4.128) 5.913 5.589 ( 0.000 -29.335 2.463) 29.439 5.752 ( 0.000 19.694 5.353) 20.409 5.919 ( 0.000 15.934 0.971) 15.964 6.314 ( 0.000 9.897 -5.866) 11.505 6.392 ( 0.000 10.528 -19.835) 22.456 6.898 ( 0.000 -8.963 -22.699) 24.404 7.216 ( 0.000 8.675 -9.907) 13.169 7.319 ( 0.000 8.523 -10.055) 13.181 7.499 ( 0.000 11.987 -4.095) 12.667 7.674 ( 0.000 -8.382 -9.336) 12.547 7.856 ( 0.000 3.739 -5.568) 6.707 8.792 ( 0.000 -10.728 -15.410) 18.776 9.491 ( 0.000 -3.295 1.787) 3.748 9.582 ( 0.000 -10.919 -4.077) 11.655 9.675 ( 0.000 0.100 2.365) 2.368 9.734 ( 0.000 -1.281 -4.611) 4.785 9.983 ( 0.000 5.358 -0.317) 5.367 10.255 ( 0.000 1.192 4.888) 5.031 10.510 ( 0.000 -0.724 2.786) 2.879 10.656 ( 0.000 -5.268 12.029) 13.132 10.716 ( 0.000 11.767 -13.124) 17.627 11.261 ( 0.000 -6.270 8.702) 10.725 11.415 ( 0.000 -10.702 0.759) 10.729 11.444 ( 0.000 -7.226 -5.513) 9.089 11.534 ( 0.000 -8.570 20.728) 22.430 11.628 ( 0.000 -15.350 7.204) 16.957 11.799 ( 0.000 -10.079 -4.495) 11.036 11.986 ( 0.000 2.104 -5.858) 6.224 12.065 ( 0.000 2.100 4.523) 4.987 12.334 ( 0.000 3.120 -4.744) 5.678 12.397 ( 0.000 0.783 -8.556) 8.591 12.759 ( 0.000 -2.506 -10.452) 10.749 12.863 ( 0.000 7.105 0.821) 7.152 12.891 ( 0.000 0.111 -0.588) 0.598 13.362 ( 0.000 2.875 13.817) 14.113 13.563 ( 0.000 6.392 -3.407) 7.243 13.569 ( 0.000 2.652 5.108) 5.755 13.824 ( 0.000 1.873 9.986) 10.160 13.875 ( 0.000 -14.769 10.580) 18.167 14.021 ( 0.000 -0.701 7.158) 7.193 14.070 ( 0.000 -14.033 9.742) 17.083 14.212 ( 0.000 2.268 -2.896) 3.678 14.506 ( 0.000 3.213 -10.576) 11.053 14.581 ( 0.000 8.729 -0.446) 8.741 14.621 ( 0.000 5.487 -2.437) 6.003 14.806 ( 0.000 0.082 -3.095) 3.096 14.815 ( 0.000 -2.024 -5.700) 6.049 15.027 ( 0.000 -3.371 6.914) 7.692 15.186 ( 0.000 3.171 9.727) 10.231 15.274 ( 0.000 -9.441 4.684) 10.539 15.329 ( 0.000 2.517 -1.870) 3.135 15.541 ( 0.000 -2.241 -4.017) 4.600 16.022 ( 0.000 -4.381 8.204) 9.300 16.102 ( 0.000 -7.506 0.947) 7.566 16.276 ( 0.000 1.453 10.314) 10.416 16.605 ( 0.000 9.303 -21.116) 23.075 17.023 ( 0.000 -10.463 4.618) 11.437 17.399 ( 0.000 7.224 2.018) 7.501 17.440 ( 0.000 5.918 8.637) 10.470 17.591 ( 0.000 -3.035 2.371) 3.851 17.687 ( 0.000 0.166 7.067) 7.068 18.010 ( 0.000 -4.516 -1.261) 4.689 18.201 ( 0.000 -0.697 7.552) 7.584 18.404 ( 0.000 0.082 -10.412) 10.412 18.567 ( 0.000 6.403 -1.082) 6.494 18.567 ( 0.000 3.940 -1.973) 4.406 18.961 ( 0.000 2.424 0.395) 2.456 19.351 ( 0.000 -9.190 -9.650) 13.326 27.467 ( 0.000 1.609 2.051) 2.607 27.508 ( 0.000 2.738 1.564) 3.153 27.529 ( 0.000 -0.084 1.183) 1.186 27.700 ( 0.000 -0.519 1.923) 1.992 29.720 ( 0.000 -1.389 4.473) 4.683 29.773 ( 0.000 -0.012 0.944) 0.944 29.924 ( 0.000 -6.654 1.757) 6.882 29.956 ( 0.000 2.917 2.424) 3.792 30.073 ( 0.000 -7.450 1.630) 7.627 30.231 ( 0.000 -7.312 10.587) 12.866 30.236 ( 0.000 4.053 3.960) 5.666 30.708 ( 0.000 -5.451 2.330) 5.928 31.460 ( 0.000 17.896 -6.077) 18.900 31.634 ( 0.000 21.255 2.129) 21.361 32.551 ( 0.000 -6.729 -4.533) 8.113 33.153 ( 0.000 -13.735 -6.779) 15.317 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 7.719 33.705 12.059) 36.620 2.209 ( 18.385 36.074 14.963) 43.166 2.985 ( -14.127 13.569 16.090) 25.349 3.367 ( -14.257 17.271 11.261) 25.067 3.549 ( 20.086 48.530 28.674) 59.839 4.189 ( 3.310 -7.523 -7.825) 11.348 4.373 ( 7.897 1.150 -6.680) 10.407 4.615 ( -9.247 1.248 -4.731) 10.461 4.807 ( 9.908 21.434 8.035) 24.943 5.081 ( -2.760 -18.353 2.221) 18.692 5.260 ( 10.375 3.000 3.918) 11.489 5.444 ( -5.246 3.143 3.305) 6.951 5.669 ( 3.751 -5.736 4.429) 8.161 5.694 ( -6.890 17.600 3.391) 19.203 5.777 ( -10.009 10.252 0.881) 14.354 6.321 ( 0.790 13.753 -5.124) 14.698 6.456 ( 6.405 2.542 -21.124) 22.219 6.792 ( -9.137 0.598 -22.727) 24.502 7.144 ( -7.593 0.733 -8.294) 11.268 7.337 ( -1.781 10.578 -1.616) 10.848 7.375 ( -2.971 8.081 -13.568) 16.069 7.731 ( -9.816 8.432 -7.995) 15.211 7.897 ( 15.167 -9.286 -8.702) 19.799 8.733 ( -6.548 -11.495 -15.327) 20.246 9.483 ( 0.625 -2.801 2.554) 3.842 9.642 ( -0.715 -2.672 -3.204) 4.233 9.659 ( 3.751 -5.206 1.327) 6.552 9.752 ( 1.679 -1.353 -4.556) 5.040 10.021 ( 3.681 6.377 -1.055) 7.439 10.300 ( 4.335 0.135 4.527) 6.269 10.403 ( -8.054 5.785 1.532) 10.034 10.683 ( 2.230 -5.172 10.462) 11.882 10.788 ( 5.066 7.534 -9.988) 13.498 11.257 ( -9.319 -12.912 3.388) 16.280 11.293 ( -7.750 -8.825 12.736) 17.325 11.380 ( 5.062 -6.877 2.288) 8.840 11.609 ( -2.014 -8.872 3.945) 9.917 11.714 ( 9.348 -7.040 2.614) 11.991 11.774 ( -6.442 -3.446 2.282) 7.654 11.853 ( -0.033 -9.285 0.097) 9.285 12.216 ( 5.048 -0.021 -5.439) 7.421 12.278 ( -5.144 0.718 -6.760) 8.525 12.400 ( 4.534 2.861 -3.201) 6.244 12.752 ( -1.124 -2.219 -7.255) 7.670 12.840 ( 0.352 3.798 -2.663) 4.652 13.028 ( 9.809 2.349 2.832) 10.477 13.339 ( -3.302 4.885 10.475) 12.020 13.512 ( -6.064 0.506 8.763) 10.668 13.587 ( 0.554 6.354 -0.452) 6.394 13.730 ( -8.379 -7.408 1.769) 11.323 13.890 ( 3.099 -3.541 5.970) 7.602 13.972 ( 1.859 4.335 9.801) 10.877 14.162 ( -0.662 -4.977 -2.072) 5.432 14.199 ( 3.972 -5.746 4.747) 8.446 14.443 ( -4.469 2.106 -0.104) 4.941 14.541 ( -4.809 3.877 -3.278) 6.994 14.661 ( -9.057 4.952 -5.114) 11.520 14.754 ( 9.325 3.177 1.483) 9.962 14.787 ( -3.159 -0.122 -5.154) 6.046 14.995 ( -0.233 -1.405 6.416) 6.572 15.113 ( 1.422 -0.047 8.979) 9.091 15.286 ( -1.668 -7.876 7.253) 10.836 15.490 ( -3.652 -3.390 3.125) 5.882 15.541 ( 6.539 -2.320 -0.814) 6.986 16.004 ( -2.860 -8.932 3.743) 10.098 16.107 ( 2.866 1.484 -1.365) 3.504 16.334 ( 5.380 0.308 0.415) 5.404 16.617 ( 0.391 7.070 -17.470) 18.851 17.044 ( 2.586 -7.569 5.996) 9.997 17.344 ( -4.040 2.564 4.447) 6.532 17.459 ( 0.866 9.266 6.678) 11.455 17.622 ( -4.806 2.070 4.965) 7.214 17.691 ( 8.871 -4.321 3.155) 10.360 18.059 ( 3.397 -5.267 0.272) 6.274 18.169 ( -2.068 -1.170 7.490) 7.858 18.417 ( 0.599 -0.970 -6.256) 6.359 18.545 ( -1.853 3.599 -0.950) 4.158 18.589 ( 0.600 6.578 -2.413) 7.032 18.980 ( 3.062 0.587 -4.741) 5.674 19.328 ( -2.722 -8.375 -8.699) 12.379 27.469 ( 0.302 1.708 1.865) 2.547 27.502 ( -0.488 2.687 1.477) 3.105 27.548 ( 1.861 -0.094 1.453) 2.363 27.685 ( -1.524 -0.471 1.908) 2.487 29.734 ( 1.367 -1.008 3.936) 4.287 29.771 ( -0.056 -0.263 1.285) 1.313 29.875 ( -3.176 -3.566 3.908) 6.171 29.958 ( -1.338 -2.373 0.716) 2.816 30.061 ( -0.600 -4.309 2.201) 4.876 30.198 ( -2.906 2.677 4.093) 5.689 30.303 ( 5.071 -4.745 10.560) 12.638 30.610 ( -7.291 -2.163 6.440) 9.966 31.428 ( -1.671 19.820 -4.270) 20.343 31.589 ( -3.955 22.130 1.743) 22.548 32.718 ( 13.232 -12.586 -8.594) 20.183 33.135 ( -1.869 -14.223 -7.489) 16.182 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 20.493 21.507 13.818) 32.763 2.505 ( 0.297 22.027 13.191) 25.676 2.703 ( -2.405 21.938 19.425) 29.400 3.004 ( -20.416 22.668 13.041) 33.177 4.037 ( 22.209 28.112 12.186) 37.842 4.192 ( -1.062 -9.071 -5.968) 10.910 4.471 ( 6.195 -3.634 2.208) 7.513 4.722 ( 16.581 5.918 -2.181) 17.740 4.843 ( -16.875 22.350 13.968) 31.296 4.989 ( -5.821 -6.818 -0.638) 8.988 5.281 ( 3.088 7.761 1.539) 8.493 5.411 ( -2.924 5.203 3.726) 7.035 5.508 ( -6.184 -3.064 4.728) 8.365 5.588 ( -9.090 2.452 8.468) 12.663 5.872 ( 17.387 20.013 -7.285) 27.494 6.221 ( -14.878 16.291 -11.100) 24.698 6.611 ( 7.612 -1.378 -20.372) 21.792 6.680 ( -1.129 4.222 -20.050) 20.521 7.040 ( 0.852 1.211 -5.435) 5.633 7.193 ( -10.362 6.070 -6.100) 13.470 7.423 ( 3.683 9.900 -9.567) 14.251 7.528 ( -8.504 9.162 -7.811) 14.740 8.224 ( 17.648 -10.455 -12.253) 23.894 8.535 ( -13.948 -11.944 -14.387) 23.328 9.521 ( 3.023 -0.862 3.085) 4.404 9.587 ( -3.529 0.231 2.990) 4.631 9.748 ( 3.756 -3.302 -4.024) 6.419 9.782 ( 0.455 -2.779 -4.186) 5.045 10.110 ( 5.402 9.207 -2.794) 11.035 10.231 ( -7.388 10.172 -3.418) 13.028 10.455 ( 9.716 -4.234 10.018) 14.584 10.648 ( -8.010 -7.291 12.146) 16.274 10.888 ( 6.839 4.840 -9.724) 12.835 11.066 ( -10.882 -0.809 -3.125) 11.350 11.212 ( 4.823 -9.480 12.306) 16.266 11.405 ( -12.952 -1.699 3.964) 13.652 11.570 ( 10.607 -9.757 3.079) 14.738 11.734 ( -4.539 -10.409 5.080) 12.440 11.822 ( 3.888 -14.952 -1.247) 15.500 11.883 ( -0.137 -13.566 0.711) 13.585 12.195 ( 1.242 4.787 -7.813) 9.247 12.254 ( -2.436 1.176 -3.712) 4.593 12.574 ( 10.787 -2.034 -1.646) 11.100 12.712 ( -3.514 -2.375 -1.917) 4.654 12.890 ( 5.875 4.225 -0.688) 7.269 13.104 ( -13.096 5.074 7.215) 15.789 13.242 ( 6.915 0.538 -1.565) 7.110 13.407 ( -7.422 0.423 3.609) 8.264 13.569 ( 3.347 3.881 7.480) 9.067 13.665 ( -3.658 1.996 5.451) 6.861 13.943 ( 5.680 2.606 -0.503) 6.269 14.071 ( -5.583 1.543 -0.581) 5.821 14.102 ( 7.261 -1.095 3.893) 8.311 14.228 ( -4.199 -1.259 0.534) 4.417 14.421 ( -2.239 -2.265 -1.952) 3.736 14.430 ( -1.756 -2.252 2.078) 3.532 14.576 ( 2.957 2.718 0.838) 4.103 14.691 ( -6.364 -0.072 -3.867) 7.447 14.955 ( 9.870 1.045 1.976) 10.120 15.044 ( 2.908 -1.651 4.394) 5.522 15.138 ( 0.536 0.085 9.281) 9.297 15.213 ( -6.217 0.350 4.820) 7.874 15.431 ( 0.138 -11.339 12.530) 16.900 15.511 ( -6.543 -11.443 4.402) 13.898 16.024 ( 4.481 0.603 0.047) 4.521 16.109 ( -3.054 3.713 0.878) 4.887 16.468 ( 7.484 2.982 -15.356) 17.341 16.584 ( -4.133 5.459 -16.248) 17.632 17.133 ( 6.333 -3.925 8.237) 11.107 17.254 ( -5.649 -1.891 7.007) 9.197 17.480 ( 1.791 8.222 5.568) 10.090 17.534 ( -3.882 4.892 5.280) 8.179 17.876 ( 9.140 -4.807 4.155) 11.132 18.024 ( -6.137 -3.898 5.276) 8.983 18.235 ( 7.850 -4.565 1.702) 9.239 18.380 ( -5.559 -4.919 -0.363) 7.431 18.525 ( 0.834 6.330 -3.244) 7.162 18.564 ( -2.497 6.460 -2.332) 7.308 19.094 ( 7.883 -3.090 -8.908) 12.290 19.239 ( -6.538 -6.176 -8.384) 12.295 27.478 ( 0.609 2.057 1.620) 2.689 27.491 ( -0.674 2.463 1.497) 2.960 27.593 ( 2.694 -0.201 1.717) 3.200 27.645 ( -2.545 -0.346 1.851) 3.166 29.760 ( 0.989 -0.295 2.183) 2.415 29.774 ( -0.114 -0.278 2.059) 2.081 29.842 ( 0.825 -3.736 4.789) 6.129 29.901 ( -4.007 -4.001 2.291) 6.109 30.068 ( 1.485 0.291 3.261) 3.595 30.121 ( -3.996 3.573 4.488) 6.991 30.409 ( 5.435 -3.950 10.158) 12.179 30.502 ( -4.470 -2.062 9.307) 10.529 31.433 ( 2.242 21.293 -2.217) 21.525 31.503 ( -4.610 22.037 -0.039) 22.514 32.943 ( 9.362 -15.935 -10.514) 21.263 33.075 ( -4.742 -15.361 -9.201) 18.523 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 0.000 41.280 12.434) 43.112 2.762 ( 0.000 41.986 -3.726) 42.151 3.459 ( 0.000 16.587 14.799) 22.229 3.823 ( 0.000 13.709 8.148) 15.947 3.985 ( 0.000 -7.713 -2.648) 8.155 4.126 ( 0.000 -6.654 7.293) 9.873 4.344 ( 0.000 15.743 20.460) 25.816 4.401 ( 0.000 -32.198 -7.679) 33.101 4.964 ( 0.000 -6.586 13.265) 14.810 5.046 ( 0.000 13.084 1.561) 13.177 5.226 ( 0.000 3.722 -11.686) 12.264 5.265 ( 0.000 11.400 0.777) 11.427 5.593 ( 0.000 3.372 5.380) 6.349 5.956 ( 0.000 -1.400 -0.003) 1.400 6.282 ( 0.000 11.532 -2.700) 11.844 6.492 ( 0.000 10.347 -7.918) 13.029 6.620 ( 0.000 6.423 -23.121) 23.996 6.780 ( 0.000 2.277 -5.102) 5.587 7.314 ( 0.000 -0.016 -2.457) 2.457 7.389 ( 0.000 -13.042 -12.016) 17.733 7.498 ( 0.000 6.898 -17.529) 18.838 7.656 ( 0.000 3.217 -13.522) 13.900 8.075 ( 0.000 14.344 -1.873) 14.466 8.586 ( 0.000 -9.504 -13.370) 16.403 9.403 ( 0.000 -5.411 -0.803) 5.471 9.422 ( 0.000 -3.242 5.477) 6.364 9.685 ( 0.000 0.632 4.043) 4.092 9.715 ( 0.000 -0.792 -0.719) 1.070 10.145 ( 0.000 10.356 1.903) 10.529 10.311 ( 0.000 3.572 4.422) 5.685 10.482 ( 0.000 -1.593 3.592) 3.929 10.610 ( 0.000 1.178 5.488) 5.613 10.831 ( 0.000 -13.116 8.959) 15.884 10.983 ( 0.000 -9.208 -6.528) 11.287 11.093 ( 0.000 -4.043 -1.942) 4.486 11.322 ( 0.000 -4.087 -1.472) 4.344 11.425 ( 0.000 -6.080 12.176) 13.610 11.587 ( 0.000 -10.779 -6.135) 12.402 11.706 ( 0.000 10.951 2.632) 11.263 12.020 ( 0.000 -5.223 2.418) 5.756 12.100 ( 0.000 9.964 -6.137) 11.703 12.441 ( 0.000 3.672 -11.597) 12.165 12.445 ( 0.000 6.126 -7.293) 9.524 12.642 ( 0.000 -9.387 -9.274) 13.195 12.827 ( 0.000 -5.631 -5.356) 7.772 12.854 ( 0.000 -7.558 -4.484) 8.788 13.482 ( 0.000 11.072 10.077) 14.971 13.624 ( 0.000 -6.107 14.762) 15.975 13.679 ( 0.000 4.084 -5.119) 6.549 13.692 ( 0.000 5.507 3.482) 6.516 13.716 ( 0.000 -9.101 23.498) 25.199 13.940 ( 0.000 0.018 2.869) 2.869 14.011 ( 0.000 -0.886 9.448) 9.489 14.163 ( 0.000 -9.616 -1.765) 9.776 14.610 ( 0.000 6.618 -5.052) 8.326 14.692 ( 0.000 3.257 1.334) 3.520 14.741 ( 0.000 3.731 -6.317) 7.337 14.752 ( 0.000 -2.140 -1.067) 2.391 14.814 ( 0.000 1.047 0.594) 1.204 14.947 ( 0.000 -4.304 3.868) 5.786 15.108 ( 0.000 -2.455 10.838) 11.112 15.220 ( 0.000 -0.770 8.906) 8.940 15.428 ( 0.000 3.284 -7.545) 8.229 15.474 ( 0.000 -3.225 -4.809) 5.790 15.943 ( 0.000 -2.876 9.000) 9.449 15.976 ( 0.000 -4.384 3.993) 5.930 16.321 ( 0.000 3.048 2.344) 3.845 16.581 ( 0.000 -9.342 -8.686) 12.756 17.033 ( 0.000 10.383 -3.498) 10.956 17.425 ( 0.000 -5.617 -1.417) 5.793 17.616 ( 0.000 7.870 0.955) 7.928 17.642 ( 0.000 8.401 4.354) 9.463 17.735 ( 0.000 5.535 6.453) 8.501 17.888 ( 0.000 -7.033 0.417) 7.045 18.143 ( 0.000 -3.814 9.015) 9.789 18.318 ( 0.000 -7.218 -2.184) 7.541 18.695 ( 0.000 5.755 -1.449) 5.935 18.701 ( 0.000 7.248 -6.763) 9.913 18.959 ( 0.000 -1.433 1.925) 2.400 19.155 ( 0.000 -9.510 -6.766) 11.671 27.497 ( 0.000 1.254 1.948) 2.317 27.526 ( 0.000 -0.244 1.441) 1.462 27.574 ( 0.000 3.402 1.705) 3.805 27.681 ( 0.000 -1.463 1.933) 2.424 29.708 ( 0.000 0.370 4.949) 4.963 29.782 ( 0.000 1.184 1.905) 2.243 29.810 ( 0.000 -4.495 3.822) 5.900 29.929 ( 0.000 -6.111 2.361) 6.551 30.001 ( 0.000 1.746 3.748) 4.135 30.111 ( 0.000 -4.603 7.744) 9.008 30.333 ( 0.000 5.346 4.310) 6.867 30.584 ( 0.000 -6.390 3.178) 7.137 31.814 ( 0.000 16.461 -6.094) 17.553 32.069 ( 0.000 20.692 -1.009) 20.716 32.375 ( 0.000 -10.363 -4.989) 11.501 32.839 ( 0.000 -16.652 -5.588) 17.565 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -2.337 37.963 4.094) 38.254 2.986 ( 10.763 38.223 8.669) 40.645 3.303 ( -12.665 17.509 15.142) 26.386 3.718 ( -9.393 16.209 7.993) 20.368 3.943 ( -6.001 -13.955 -1.027) 15.226 4.058 ( -6.493 -19.539 0.941) 20.611 4.427 ( 8.141 7.191 16.486) 19.743 4.504 ( 10.496 -20.458 1.912) 23.073 4.938 ( -9.945 5.356 -0.138) 11.297 4.981 ( 4.325 7.341 5.147) 9.955 5.208 ( 11.680 15.426 3.569) 19.675 5.478 ( 7.822 0.838 -3.656) 8.675 5.755 ( 5.388 0.147 -1.782) 5.677 5.972 ( 4.079 9.319 -1.607) 10.299 6.156 ( -10.802 12.771 2.489) 16.910 6.495 ( -0.363 4.183 -5.056) 6.572 6.604 ( -0.082 10.927 -23.338) 25.770 6.800 ( 3.476 3.685 -9.707) 10.949 7.224 ( -9.702 5.049 -10.433) 15.115 7.386 ( -1.270 -5.834 -6.626) 8.919 7.509 ( 1.453 5.185 -15.245) 16.168 7.718 ( 7.265 -6.224 -12.132) 15.450 7.967 ( -9.738 13.213 -3.034) 16.692 8.499 ( -8.967 -11.374 -13.105) 19.532 9.433 ( 3.508 -1.706 5.125) 6.441 9.501 ( 6.937 -5.508 1.026) 8.917 9.662 ( -1.539 1.455 3.681) 4.247 9.743 ( 1.219 -0.860 1.136) 1.875 10.176 ( 3.470 8.729 0.875) 9.434 10.343 ( 3.110 3.452 4.294) 6.327 10.472 ( -1.266 1.129 2.679) 3.171 10.603 ( -2.165 -2.766 7.923) 8.667 10.885 ( 6.463 -10.742 8.033) 14.889 11.000 ( 0.122 -0.843 -9.905) 9.942 11.055 ( -2.992 -6.305 -0.688) 7.012 11.300 ( -0.165 -3.653 0.485) 3.688 11.390 ( -1.596 -8.389 10.031) 13.173 11.575 ( -1.668 -11.596 -4.048) 12.395 11.719 ( -1.680 4.686 -1.010) 5.079 11.853 ( -11.114 1.158 3.126) 11.603 12.226 ( 7.184 3.372 -7.027) 10.600 12.367 ( -3.950 6.213 -10.788) 13.061 12.465 ( 1.333 2.907 -7.292) 7.963 12.654 ( 0.282 -6.919 -9.998) 12.162 12.830 ( 2.060 -3.718 -5.696) 7.107 12.964 ( 9.116 -8.080 0.046) 12.182 13.489 ( -6.904 7.316 5.787) 11.605 13.507 ( -4.509 1.223 17.431) 18.046 13.598 ( -5.459 -3.731 11.992) 13.694 13.728 ( 3.092 5.705 -2.834) 7.081 13.796 ( 5.407 -2.870 6.974) 9.280 13.948 ( 0.638 -2.728 0.924) 2.950 14.076 ( 6.263 -3.888 6.989) 10.158 14.155 ( 0.658 -4.453 1.357) 4.702 14.513 ( -8.221 5.547 -2.480) 10.222 14.611 ( -9.105 2.847 1.059) 9.598 14.684 ( -5.065 -1.220 -1.686) 5.476 14.789 ( -1.133 0.211 -1.214) 1.674 14.832 ( 6.895 2.821 2.174) 7.761 14.929 ( -0.409 -3.282 1.640) 3.692 15.096 ( 1.436 -1.951 9.323) 9.632 15.195 ( -1.198 -1.194 6.502) 6.719 15.419 ( -4.231 -3.330 1.796) 5.677 15.474 ( -5.906 -3.306 5.534) 8.742 15.943 ( 5.793 2.000 0.183) 6.132 16.100 ( 9.559 -2.456 -3.932) 10.624 16.340 ( 1.498 1.769 2.493) 3.404 16.587 ( -0.022 -8.501 -8.846) 12.269 17.080 ( 4.862 10.482 -2.223) 11.766 17.461 ( -0.212 2.218 -2.031) 3.015 17.548 ( -0.678 0.162 0.219) 0.730 17.700 ( -0.841 4.382 5.676) 7.219 17.709 ( 2.046 8.989 4.393) 10.212 17.928 ( 3.115 -6.690 2.002) 7.647 18.105 ( -3.105 -3.963 9.511) 10.761 18.312 ( -1.498 -8.041 -0.472) 8.193 18.671 ( -0.709 7.047 -3.633) 7.960 18.735 ( 1.136 7.212 -3.992) 8.321 18.948 ( 0.003 -2.865 -1.581) 3.272 19.144 ( -1.521 -9.304 -5.536) 10.933 27.503 ( 0.713 1.523 1.811) 2.471 27.543 ( 1.652 -0.351 1.565) 2.303 27.567 ( -0.705 3.189 1.691) 3.677 27.667 ( -1.367 -1.358 1.910) 2.713 29.720 ( 1.201 -0.175 4.234) 4.405 29.770 ( -1.010 0.269 2.061) 2.311 29.792 ( -1.526 -3.322 3.790) 5.266 29.882 ( -3.432 -4.596 1.612) 5.958 30.041 ( 3.192 1.603 4.717) 5.917 30.175 ( 5.520 -3.994 7.313) 9.996 30.314 ( -2.114 4.516 5.553) 7.463 30.534 ( -4.548 -4.920 4.875) 8.287 31.817 ( 0.804 17.978 -5.390) 18.785 32.033 ( -3.560 20.919 -1.557) 21.277 32.456 ( 7.266 -13.303 -6.311) 16.420 32.813 ( -2.718 -17.013 -6.058) 18.263 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 8.687 28.423 7.960) 30.769 2.925 ( -14.504 20.624 11.351) 27.651 3.293 ( 10.628 32.582 13.768) 36.934 3.511 ( -11.529 24.364 10.550) 28.945 3.837 ( -1.690 -20.682 0.152) 20.752 3.910 ( -7.886 -22.199 -1.052) 23.581 4.565 ( 5.645 -18.073 9.418) 21.147 4.636 ( -1.158 -24.078 10.567) 26.320 4.999 ( 16.934 18.308 -2.604) 25.074 5.169 ( 10.911 18.003 -0.731) 21.064 5.389 ( 0.736 11.339 4.899) 12.373 5.526 ( 3.546 13.195 -0.177) 13.664 5.655 ( -11.336 -0.716 -5.242) 12.510 5.781 ( -16.118 16.166 2.702) 22.987 6.259 ( 12.473 6.743 -1.421) 14.250 6.434 ( -5.987 0.801 -6.927) 9.191 6.701 ( 9.835 12.900 -18.046) 24.265 6.899 ( -2.891 15.450 -19.845) 25.316 7.044 ( 1.938 2.735 -7.256) 7.993 7.266 ( -11.662 1.602 -10.201) 15.577 7.581 ( 6.047 4.692 -8.471) 11.417 7.730 ( -9.260 9.383 -3.301) 13.589 7.972 ( 14.081 -13.439 -12.656) 23.218 8.264 ( -14.802 -14.166 -12.640) 24.074 9.521 ( 5.162 0.974 6.632) 8.460 9.611 ( -3.548 2.137 4.989) 6.484 9.648 ( 6.799 -4.991 2.783) 8.882 9.738 ( -2.137 -2.443 1.388) 3.530 10.275 ( 6.378 6.551 -0.392) 9.152 10.386 ( -2.566 4.540 -0.456) 5.235 10.445 ( 1.474 2.558 7.547) 8.104 10.518 ( -5.007 -5.101 10.201) 12.456 10.957 ( -0.364 1.802 -4.434) 4.800 10.994 ( -3.641 -4.088 -1.798) 5.762 11.102 ( 13.401 -2.518 0.373) 13.640 11.326 ( -4.176 -9.164 0.157) 10.072 11.400 ( 4.411 -5.046 0.825) 6.753 11.522 ( -4.105 -8.558 1.153) 9.562 11.590 ( -4.224 -4.384 1.888) 6.374 11.680 ( -8.163 -6.003 1.787) 10.289 12.305 ( 1.970 5.063 -12.673) 13.788 12.338 ( -0.851 7.123 -9.666) 12.037 12.538 ( 6.068 -2.395 -5.397) 8.467 12.631 ( -2.958 -5.301 -8.196) 10.200 12.934 ( 9.627 1.210 -1.095) 9.764 13.166 ( 11.392 -6.204 6.158) 14.360 13.197 ( -16.509 3.420 6.360) 18.019 13.385 ( -10.770 -3.725 11.207) 15.983 13.638 ( 6.721 4.669 1.759) 8.371 13.741 ( -2.575 5.010 -2.354) 6.105 13.898 ( 4.496 -5.376 2.107) 7.318 13.951 ( -0.842 -5.922 -0.363) 5.993 14.205 ( 3.532 1.316 5.384) 6.572 14.216 ( 6.636 -0.708 4.213) 7.892 14.339 ( -5.882 0.933 5.162) 7.882 14.434 ( -9.740 0.204 0.674) 9.766 14.643 ( 2.163 3.443 2.344) 4.693 14.730 ( -4.885 4.186 -2.099) 6.766 14.954 ( 5.670 -6.605 3.121) 9.247 14.989 ( 5.167 -1.269 -1.413) 5.505 15.149 ( -0.200 -0.365 5.909) 5.924 15.182 ( 3.679 -4.680 9.437) 11.158 15.258 ( -11.987 -2.843 11.695) 16.986 15.303 ( -7.122 -5.424 9.334) 12.933 16.103 ( 8.471 6.151 -2.769) 10.829 16.211 ( -1.284 5.889 -3.455) 6.947 16.421 ( 7.901 -5.721 -6.891) 11.943 16.551 ( -4.378 -7.223 -9.803) 12.939 17.206 ( 7.779 10.152 -0.080) 12.790 17.358 ( -7.582 9.682 0.274) 12.300 17.608 ( 3.192 -1.031 -2.716) 4.317 17.656 ( -2.285 4.432 0.473) 5.009 17.801 ( 6.435 1.812 9.226) 11.394 17.923 ( -4.946 -3.283 7.348) 9.447 18.112 ( 5.319 -7.277 4.991) 10.303 18.238 ( -6.149 -8.682 1.832) 10.796 18.678 ( 1.536 8.147 -3.482) 8.992 18.720 ( -2.253 8.442 -2.708) 9.148 18.996 ( 4.656 -6.159 -5.235) 9.329 19.088 ( -4.237 -8.327 -5.015) 10.603 27.523 ( 1.237 2.132 1.670) 2.977 27.547 ( -1.199 2.783 1.634) 3.443 27.585 ( 2.436 -0.737 1.746) 3.086 27.631 ( -2.297 -1.086 1.846) 3.141 29.747 ( 0.882 -0.623 2.501) 2.724 29.755 ( -0.421 -1.196 2.766) 3.042 29.772 ( 0.531 -2.364 3.069) 3.910 29.817 ( -3.197 -3.637 1.654) 5.117 30.118 ( 4.815 3.949 5.924) 8.595 30.213 ( -4.156 4.920 5.243) 8.305 30.323 ( 5.621 -4.360 8.842) 11.348 30.436 ( -5.525 -4.292 7.212) 10.048 31.860 ( 3.643 20.048 -4.237) 20.812 31.947 ( -5.011 20.959 -2.850) 21.737 32.607 ( 7.725 -16.758 -7.472) 19.908 32.735 ( -5.446 -17.547 -7.049) 19.679 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 0.000 -10.244 1.531) 10.358 3.526 ( 0.000 10.244 1.531) 10.358 3.632 ( 0.000 -12.916 -2.352) 13.129 3.632 ( 0.000 12.916 -2.352) 13.129 3.790 ( 0.000 -14.380 9.729) 17.362 3.790 ( 0.000 14.380 9.729) 17.362 4.199 ( 0.000 -16.263 11.669) 20.016 4.199 ( 0.000 16.263 11.669) 20.016 5.175 ( 0.000 -7.749 -5.870) 9.721 5.175 ( 0.000 7.749 -5.870) 9.721 5.399 ( 0.000 -20.986 10.692) 23.553 5.399 ( 0.000 20.986 10.692) 23.553 5.677 ( 0.000 -22.871 2.269) 22.984 5.677 ( 0.000 22.871 2.269) 22.984 6.483 ( 0.000 -10.084 -12.874) 16.353 6.483 ( 0.000 10.084 -12.874) 16.353 6.818 ( 0.000 -8.873 -10.457) 13.714 6.818 ( 0.000 8.873 -10.457) 13.714 7.232 ( 0.000 -3.534 -2.162) 4.143 7.232 ( 0.000 3.534 -2.162) 4.143 7.646 ( 0.000 -4.355 -21.256) 21.697 7.646 ( 0.000 4.355 -21.256) 21.697 8.366 ( 0.000 -12.798 -6.381) 14.300 8.366 ( 0.000 12.798 -6.381) 14.300 9.367 ( 0.000 -1.362 4.129) 4.348 9.367 ( 0.000 1.362 4.129) 4.348 9.698 ( 0.000 -0.753 3.227) 3.314 9.698 ( 0.000 0.753 3.227) 3.314 10.348 ( 0.000 -3.499 4.697) 5.858 10.348 ( 0.000 3.499 4.697) 5.858 10.511 ( 0.000 -10.050 6.332) 11.878 10.511 ( 0.000 10.050 6.332) 11.878 10.717 ( 0.000 -9.661 -0.011) 9.661 10.717 ( 0.000 9.661 -0.011) 9.661 11.253 ( 0.000 -5.946 -1.182) 6.063 11.253 ( 0.000 5.946 -1.182) 6.063 11.386 ( 0.000 -5.234 -0.649) 5.275 11.386 ( 0.000 5.234 -0.649) 5.275 11.886 ( 0.000 -7.405 0.755) 7.443 11.886 ( 0.000 7.405 0.755) 7.443 12.375 ( 0.000 -14.853 -6.869) 16.365 12.375 ( 0.000 14.853 -6.869) 16.365 12.523 ( 0.000 -1.766 -12.768) 12.890 12.523 ( 0.000 1.766 -12.768) 12.890 12.730 ( 0.000 -0.336 -3.690) 3.705 12.730 ( 0.000 0.336 -3.690) 3.705 13.579 ( 0.000 -3.478 22.823) 23.086 13.579 ( 0.000 3.478 22.823) 23.086 13.718 ( 0.000 -1.676 -2.472) 2.987 13.718 ( 0.000 1.676 -2.472) 2.987 13.837 ( 0.000 -13.694 1.203) 13.747 13.837 ( 0.000 13.694 1.203) 13.747 13.995 ( 0.000 -0.089 7.131) 7.132 13.995 ( 0.000 0.089 7.131) 7.132 14.714 ( 0.000 -2.191 0.119) 2.194 14.714 ( 0.000 2.191 0.119) 2.194 14.752 ( 0.000 -0.896 -0.404) 0.983 14.752 ( 0.000 0.896 -0.404) 0.983 14.861 ( 0.000 -3.359 0.724) 3.436 14.861 ( 0.000 3.359 0.724) 3.436 15.148 ( 0.000 -4.653 6.232) 7.778 15.148 ( 0.000 4.653 6.232) 7.778 15.451 ( 0.000 -0.281 -3.686) 3.697 15.451 ( 0.000 0.281 -3.686) 3.697 15.922 ( 0.000 -0.896 6.233) 6.297 15.922 ( 0.000 0.896 6.233) 6.297 16.412 ( 0.000 -6.189 -3.043) 6.896 16.412 ( 0.000 6.189 -3.043) 6.896 17.259 ( 0.000 -10.122 -2.338) 10.388 17.259 ( 0.000 10.122 -2.338) 10.388 17.744 ( 0.000 -6.246 1.018) 6.329 17.744 ( 0.000 6.246 1.018) 6.329 17.796 ( 0.000 -3.763 0.319) 3.776 17.796 ( 0.000 3.763 0.319) 3.776 18.152 ( 0.000 -6.700 7.045) 9.722 18.152 ( 0.000 6.700 7.045) 9.722 18.781 ( 0.000 -1.332 -3.669) 3.904 18.781 ( 0.000 1.332 -3.669) 3.904 18.984 ( 0.000 -5.892 -2.551) 6.421 18.984 ( 0.000 5.892 -2.551) 6.421 27.517 ( 0.000 -0.693 1.708) 1.843 27.517 ( 0.000 0.693 1.708) 1.843 27.638 ( 0.000 -2.700 1.867) 3.283 27.638 ( 0.000 2.700 1.867) 3.283 29.738 ( 0.000 -2.519 4.638) 5.278 29.738 ( 0.000 2.519 4.638) 5.278 29.830 ( 0.000 -3.575 2.617) 4.430 29.830 ( 0.000 3.575 2.617) 4.430 30.040 ( 0.000 -2.400 5.472) 5.975 30.040 ( 0.000 2.400 5.472) 5.975 30.453 ( 0.000 -6.269 3.819) 7.340 30.453 ( 0.000 6.269 3.819) 7.340 32.127 ( 0.000 -13.812 -5.515) 14.872 32.127 ( 0.000 13.812 -5.515) 14.872 32.475 ( 0.000 -18.800 -3.656) 19.152 32.475 ( 0.000 18.800 -3.656) 19.152 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -7.822 -34.204 -0.938) 35.099 3.384 ( -7.822 34.204 -0.938) 35.099 3.604 ( -12.198 -18.756 7.840) 23.707 3.604 ( -12.198 18.756 7.840) 23.707 3.834 ( 9.129 -34.078 7.333) 36.033 3.834 ( 9.129 34.078 7.333) 36.033 4.170 ( -2.423 -19.374 10.437) 22.139 4.170 ( -2.423 19.374 10.437) 22.139 5.177 ( 1.339 -6.355 -6.779) 9.389 5.177 ( 1.339 6.355 -6.779) 9.389 5.484 ( 7.228 -10.497 4.151) 13.404 5.484 ( 7.228 10.497 4.151) 13.404 5.793 ( 9.496 -18.806 4.433) 21.529 5.793 ( 9.496 18.806 4.433) 21.529 6.416 ( -7.196 -11.463 -7.721) 15.582 6.416 ( -7.196 11.463 -7.721) 15.582 6.860 ( 4.855 -6.416 -13.383) 15.615 6.860 ( 4.855 6.416 -13.383) 15.615 7.250 ( 1.331 -2.458 -4.799) 5.553 7.250 ( 1.331 2.458 -4.799) 5.553 7.618 ( -1.354 -5.112 -18.927) 19.652 7.618 ( -1.354 5.112 -18.927) 19.652 8.248 ( -11.463 -13.402 -6.406) 18.763 8.248 ( -11.463 13.402 -6.406) 18.763 9.430 ( 5.943 -1.618 5.039) 7.958 9.430 ( 5.943 1.618 5.039) 7.958 9.705 ( 0.102 -2.425 4.024) 4.699 9.705 ( 0.102 2.425 4.024) 4.699 10.354 ( 0.865 -5.748 4.202) 7.173 10.354 ( 0.865 5.748 4.202) 7.173 10.506 ( -0.693 -5.088 6.179) 8.034 10.506 ( -0.693 5.088 6.179) 8.034 10.801 ( 7.856 -5.731 -1.753) 9.881 10.801 ( 7.856 5.731 -1.753) 9.881 11.206 ( -4.261 -6.501 -0.554) 7.792 11.206 ( -4.261 6.501 -0.554) 7.792 11.366 ( -1.160 -6.735 0.682) 6.868 11.366 ( -1.160 6.735 0.682) 6.868 11.816 ( -8.020 -4.132 -0.343) 9.028 11.816 ( -8.020 4.132 -0.343) 9.028 12.373 ( 1.211 -8.376 -9.661) 12.843 12.373 ( 1.211 8.376 -9.661) 12.843 12.534 ( -0.164 -5.298 -12.099) 13.209 12.534 ( -0.164 5.298 -12.099) 13.209 12.804 ( 7.811 -4.405 -1.299) 9.061 12.804 ( 7.811 4.405 -1.299) 9.061 13.506 ( -8.119 -2.699 20.152) 21.893 13.506 ( -8.119 2.699 20.152) 21.893 13.715 ( 1.183 -6.914 1.243) 7.124 13.715 ( 1.183 6.914 1.243) 7.124 13.868 ( 0.902 -6.761 -1.742) 7.040 13.868 ( 0.902 6.761 -1.742) 7.040 14.038 ( 5.393 -2.612 4.519) 7.505 14.038 ( 5.393 2.612 4.519) 7.505 14.618 ( -7.300 -2.847 1.244) 7.933 14.618 ( -7.300 2.847 1.244) 7.933 14.718 ( -5.291 -5.078 3.321) 8.050 14.718 ( -5.291 5.078 3.321) 8.050 14.888 ( 4.710 -2.037 -0.973) 5.223 14.888 ( 4.710 2.037 -0.973) 5.223 15.121 ( -1.983 -4.388 5.436) 7.262 15.121 ( -1.983 4.388 5.436) 7.262 15.416 ( -6.064 -2.393 5.842) 8.754 15.416 ( -6.064 2.393 5.842) 8.754 16.021 ( 10.400 -4.582 -2.035) 11.545 16.021 ( 10.400 4.582 -2.035) 11.545 16.424 ( 0.346 -6.296 -2.643) 6.837 16.424 ( 0.346 6.296 -2.643) 6.837 17.315 ( 5.388 -10.766 -2.736) 12.346 17.315 ( 5.388 10.766 -2.736) 12.346 17.686 ( -4.682 -7.357 -2.293) 9.016 17.686 ( -4.682 7.357 -2.293) 9.016 17.840 ( 3.452 -4.656 4.630) 7.419 17.840 ( 3.452 4.656 4.630) 7.419 18.128 ( -2.750 -7.963 7.094) 11.013 18.128 ( -2.750 7.963 7.094) 11.013 18.795 ( 1.554 -3.835 -4.175) 5.879 18.795 ( 1.554 3.835 -4.175) 5.879 18.964 ( -2.054 -7.072 -2.534) 7.788 18.964 ( -2.054 7.072 -2.534) 7.788 27.529 ( 1.261 -0.981 1.707) 2.338 27.529 ( 1.261 0.981 1.707) 2.338 27.627 ( -1.090 -2.542 1.836) 3.320 27.627 ( -1.090 2.542 1.836) 3.320 29.734 ( -0.185 -1.679 4.129) 4.461 29.734 ( -0.185 1.679 4.129) 4.461 29.805 ( -2.111 -2.678 2.038) 3.973 29.805 ( -2.111 2.678 2.038) 3.973 30.095 ( 5.104 -3.455 6.379) 8.870 30.095 ( 5.104 3.455 6.379) 8.870 30.422 ( -3.197 -5.653 4.755) 8.049 30.422 ( -3.197 5.653 4.755) 8.049 32.161 ( 3.492 -15.525 -5.707) 16.905 32.161 ( 3.492 15.525 -5.707) 16.905 32.443 ( -3.232 -19.020 -4.088) 19.721 32.443 ( -3.232 19.020 -4.088) 19.721 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -0.949 -29.140 2.666) 29.278 3.292 ( -0.949 29.140 2.666) 29.278 3.372 ( -9.329 -22.091 7.040) 24.992 3.372 ( -9.329 22.091 7.040) 24.992 3.993 ( 6.958 -32.671 10.916) 35.142 3.993 ( 6.958 32.671 10.916) 35.142 4.104 ( -4.687 -26.300 10.757) 28.799 4.104 ( -4.687 26.300 10.757) 28.799 5.301 ( 11.191 -10.200 -10.288) 18.307 5.301 ( 11.191 10.201 -10.288) 18.307 5.506 ( -6.747 -6.592 -5.673) 11.008 5.506 ( -6.747 6.592 -5.673) 11.008 6.002 ( 11.965 -24.852 6.063) 28.241 6.002 ( 11.965 24.852 6.063) 28.241 6.228 ( -11.391 -18.870 2.442) 22.176 6.228 ( -11.391 18.870 2.442) 22.176 7.012 ( 10.376 -9.246 -16.795) 21.800 7.012 ( 10.376 9.246 -16.795) 21.800 7.202 ( -7.626 -7.703 -14.007) 17.712 7.202 ( -7.626 7.703 -14.007) 17.712 7.698 ( 10.871 -9.359 -10.032) 17.505 7.698 ( 10.871 9.359 -10.032) 17.505 7.973 ( -15.962 -13.240 -6.856) 21.843 7.973 ( -15.962 13.240 -6.856) 21.843 9.563 ( 7.135 -3.083 6.536) 10.155 9.563 ( 7.135 3.083 6.536) 10.155 9.674 ( -3.843 -3.516 6.026) 7.965 9.674 ( -3.843 3.516 6.026) 7.965 10.394 ( 3.428 -4.880 3.953) 7.155 10.394 ( 3.428 4.880 3.953) 7.155 10.468 ( -3.463 -1.255 4.722) 5.989 10.468 ( -3.463 1.255 4.722) 5.989 10.972 ( 8.904 -3.180 -3.963) 10.251 10.972 ( 8.904 3.180 -3.963) 10.251 11.113 ( -5.722 -8.256 -2.311) 10.307 11.113 ( -5.722 8.256 -2.311) 10.307 11.399 ( 6.155 -4.062 2.967) 7.949 11.399 ( 6.155 4.062 2.967) 7.949 11.599 ( -12.995 -2.749 0.188) 13.284 11.599 ( -12.995 2.749 0.188) 13.284 12.430 ( 3.989 -6.376 -12.361) 14.469 12.430 ( 3.989 6.376 -12.361) 14.469 12.501 ( -3.047 -7.027 -12.505) 14.664 12.501 ( -3.047 7.027 -12.505) 14.664 13.013 ( 13.409 -6.901 4.837) 15.837 13.013 ( 13.409 6.901 4.837) 15.837 13.285 ( -13.990 -4.845 13.173) 19.817 13.285 ( -13.990 4.845 13.173) 19.817 13.768 ( 3.786 -6.901 0.133) 7.872 13.768 ( 3.786 6.901 0.133) 7.872 13.840 ( -3.234 -4.758 -2.870) 6.429 13.840 ( -3.234 4.758 -2.870) 6.429 14.198 ( 10.455 -1.081 4.608) 11.477 14.198 ( 10.455 1.081 4.608) 11.477 14.414 ( -11.815 -2.959 4.937) 13.143 14.414 ( -11.815 2.959 4.937) 13.143 14.744 ( 6.516 -6.421 3.681) 9.861 14.744 ( 6.516 6.421 3.681) 9.861 14.890 ( -6.008 -6.261 -1.621) 8.827 14.890 ( -6.008 6.261 -1.621) 8.827 15.132 ( 4.428 -0.914 8.625) 9.738 15.132 ( 4.428 0.914 8.625) 9.738 15.259 ( -8.292 -1.192 9.400) 12.591 15.259 ( -8.292 1.192 9.400) 12.591 16.243 ( 10.694 -6.196 -5.588) 13.564 16.243 ( 10.694 6.196 -5.588) 13.564 16.390 ( -4.498 -6.643 -3.942) 8.939 16.390 ( -4.498 6.643 -3.942) 8.939 17.442 ( 7.291 -11.094 -3.023) 13.615 17.442 ( 7.291 11.094 -3.023) 13.615 17.577 ( -6.577 -9.668 -3.075) 12.090 17.577 ( -6.577 9.668 -3.075) 12.090 17.928 ( 5.711 -6.865 6.726) 11.179 17.928 ( 5.711 6.865 6.726) 11.179 18.044 ( -5.785 -8.525 7.005) 12.458 18.044 ( -5.785 8.525 7.005) 12.458 18.842 ( 3.285 -6.692 -4.069) 8.493 18.842 ( 3.285 6.692 -4.069) 8.493 18.910 ( -3.447 -7.939 -3.045) 9.175 18.910 ( -3.447 7.939 -3.045) 9.175 27.561 ( 1.943 -1.539 1.721) 3.017 27.561 ( 1.943 1.539 1.721) 3.017 27.598 ( -1.839 -2.113 1.770) 3.313 27.598 ( -1.839 2.113 1.770) 3.313 29.738 ( 0.751 -0.090 2.961) 3.056 29.738 ( 0.751 0.090 2.961) 3.056 29.764 ( -1.888 -1.371 2.016) 3.084 29.764 ( -1.888 1.371 2.016) 3.084 30.212 ( 6.661 -4.807 7.088) 10.850 30.212 ( 6.661 4.807 7.088) 10.850 30.334 ( -5.775 -5.223 6.401) 10.080 30.334 ( -5.775 5.223 6.401) 10.080 32.251 ( 5.523 -18.114 -5.718) 19.782 32.251 ( 5.523 18.114 -5.718) 19.782 32.358 ( -5.352 -19.167 -5.031) 20.527 32.358 ( -5.352 19.167 -5.031) 20.527 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.000 0.000 39.536) 39.536 1.900 ( 0.000 0.000 44.758) 44.758 2.799 ( 0.000 0.000 61.174) 61.174 3.128 ( 0.000 0.000 17.672) 17.672 3.544 ( 0.000 0.000 17.101) 17.101 3.886 ( 0.000 0.000 -10.448) 10.448 4.166 ( 0.000 0.000 2.826) 2.826 4.200 ( 0.000 0.000 11.977) 11.977 4.383 ( 0.000 0.000 -2.937) 2.937 5.089 ( 0.000 0.000 0.719) 0.719 5.301 ( 0.000 0.000 -5.297) 5.297 5.360 ( 0.000 0.000 14.832) 14.832 5.742 ( 0.000 0.000 -6.344) 6.344 5.775 ( 0.000 0.000 2.382) 2.382 5.993 ( 0.000 0.000 -0.885) 0.885 6.100 ( 0.000 0.000 -14.001) 14.001 6.422 ( 0.000 0.000 -27.560) 27.560 6.454 ( 0.000 0.000 -7.770) 7.770 6.788 ( 0.000 0.000 -4.394) 4.394 6.796 ( 0.000 0.000 -0.699) 0.699 6.865 ( 0.000 0.000 -27.894) 27.894 7.126 ( 0.000 0.000 -11.287) 11.287 7.844 ( 0.000 0.000 -13.727) 13.727 8.643 ( 0.000 0.000 -27.074) 27.074 9.374 ( 0.000 0.000 -9.412) 9.412 9.560 ( 0.000 0.000 -12.022) 12.022 9.662 ( 0.000 0.000 -3.428) 3.428 9.793 ( 0.000 0.000 -2.164) 2.164 9.803 ( 0.000 0.000 -22.602) 22.602 10.054 ( 0.000 0.000 -1.023) 1.023 10.599 ( 0.000 0.000 5.475) 5.475 10.789 ( 0.000 0.000 18.742) 18.742 11.102 ( 0.000 0.000 1.565) 1.565 11.260 ( 0.000 0.000 20.582) 20.582 11.578 ( 0.000 0.000 -11.720) 11.720 11.684 ( 0.000 0.000 -5.598) 5.598 11.769 ( 0.000 0.000 6.612) 6.612 11.822 ( 0.000 0.000 -2.537) 2.537 12.115 ( 0.000 0.000 -3.735) 3.735 12.276 ( 0.000 0.000 1.834) 1.834 12.314 ( 0.000 0.000 -11.350) 11.350 12.321 ( 0.000 0.000 -3.538) 3.538 12.635 ( 0.000 0.000 3.836) 3.836 12.689 ( 0.000 0.000 2.208) 2.208 12.750 ( 0.000 0.000 11.270) 11.270 13.213 ( 0.000 0.000 -15.964) 15.964 13.452 ( 0.000 0.000 14.504) 14.504 13.543 ( 0.000 0.000 12.523) 12.523 13.557 ( 0.000 0.000 -16.959) 16.959 13.663 ( 0.000 0.000 -0.442) 0.442 13.705 ( 0.000 0.000 11.421) 11.421 14.161 ( 0.000 0.000 -3.896) 3.896 14.276 ( 0.000 0.000 5.068) 5.068 14.367 ( 0.000 0.000 -8.368) 8.368 14.389 ( 0.000 0.000 3.129) 3.129 14.555 ( 0.000 0.000 11.486) 11.486 14.620 ( 0.000 0.000 7.041) 7.041 14.700 ( 0.000 0.000 -3.850) 3.850 14.719 ( 0.000 0.000 -3.900) 3.900 15.027 ( 0.000 0.000 7.365) 7.365 15.237 ( 0.000 0.000 11.211) 11.211 15.507 ( 0.000 0.000 -2.108) 2.108 15.565 ( 0.000 0.000 -0.198) 0.198 15.753 ( 0.000 0.000 -5.226) 5.226 15.890 ( 0.000 0.000 11.660) 11.660 15.909 ( 0.000 0.000 -14.814) 14.814 16.220 ( 0.000 0.000 -2.849) 2.849 16.651 ( 0.000 0.000 1.044) 1.044 17.379 ( 0.000 0.000 5.575) 5.575 17.419 ( 0.000 0.000 8.575) 8.575 17.637 ( 0.000 0.000 5.884) 5.884 17.784 ( 0.000 0.000 3.524) 3.524 17.813 ( 0.000 0.000 11.690) 11.690 18.055 ( 0.000 0.000 -1.583) 1.583 18.338 ( 0.000 0.000 13.447) 13.447 18.368 ( 0.000 0.000 -1.856) 1.856 18.401 ( 0.000 0.000 -3.066) 3.066 18.470 ( 0.000 0.000 13.771) 13.771 18.676 ( 0.000 0.000 5.255) 5.255 19.243 ( 0.000 0.000 -18.178) 18.178 27.468 ( 0.000 0.000 3.017) 3.017 27.513 ( 0.000 0.000 2.902) 2.902 27.553 ( 0.000 0.000 1.173) 1.173 27.747 ( 0.000 0.000 1.792) 1.792 29.725 ( 0.000 0.000 5.397) 5.397 29.865 ( 0.000 0.000 4.140) 4.140 29.934 ( 0.000 0.000 5.925) 5.925 30.140 ( 0.000 0.000 0.896) 0.896 30.216 ( 0.000 0.000 4.818) 4.818 30.405 ( 0.000 0.000 7.508) 7.508 30.587 ( 0.000 0.000 -4.137) 4.137 30.773 ( 0.000 0.000 -6.417) 6.417 31.024 ( 0.000 0.000 1.200) 1.200 31.217 ( 0.000 0.000 23.277) 23.277 32.569 ( 0.000 0.000 -8.367) 8.367 33.247 ( 0.000 0.000 -14.801) 14.801 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 26.207 0.000 33.521) 42.550 2.033 ( 13.222 0.000 41.145) 43.217 2.989 ( 18.458 0.000 50.440) 53.711 3.022 ( -10.787 0.000 20.116) 22.826 3.329 ( -14.298 0.000 21.563) 25.873 4.170 ( 23.102 0.000 -8.396) 24.580 4.211 ( 5.132 0.000 0.989) 5.226 4.338 ( 13.203 0.000 11.470) 17.489 4.476 ( 8.463 0.000 -1.816) 8.655 4.941 ( -13.592 0.000 -4.413) 14.291 5.172 ( -10.213 0.000 2.882) 10.612 5.173 ( -18.302 0.000 16.374) 24.558 5.680 ( -10.398 0.000 6.971) 12.519 5.854 ( -14.012 0.000 -13.246) 19.283 5.926 ( 14.370 0.000 -11.356) 18.316 6.168 ( 7.317 0.000 -11.217) 13.393 6.384 ( 3.082 0.000 -8.013) 8.585 6.573 ( 3.695 0.000 -7.095) 7.999 6.708 ( -7.949 0.000 -3.952) 8.877 6.710 ( -5.817 0.000 -10.119) 11.672 6.813 ( -6.481 0.000 -27.724) 28.471 7.051 ( -7.180 0.000 -13.464) 15.258 7.921 ( 8.785 0.000 -14.060) 16.579 8.607 ( -4.274 0.000 -26.267) 26.612 9.365 ( -0.409 0.000 -10.271) 10.280 9.521 ( -3.604 0.000 -12.713) 13.214 9.629 ( -2.300 0.000 -7.261) 7.617 9.772 ( -1.486 0.000 -2.726) 3.105 9.792 ( -3.101 0.000 -14.185) 14.520 9.977 ( -7.071 0.000 -1.144) 7.163 10.488 ( -4.440 0.000 -0.711) 4.496 10.846 ( 6.320 0.000 18.668) 19.709 11.093 ( -9.973 0.000 -4.869) 11.098 11.261 ( -0.644 0.000 18.529) 18.541 11.590 ( 1.482 0.000 -5.767) 5.955 11.650 ( 6.888 0.000 10.322) 12.409 11.744 ( 3.977 0.000 -5.141) 6.500 12.094 ( 10.382 0.000 -2.607) 10.704 12.159 ( 1.037 0.000 -2.632) 2.829 12.275 ( -0.205 0.000 0.780) 0.807 12.302 ( 2.854 0.000 -2.500) 3.794 12.337 ( 3.940 0.000 -9.457) 10.245 12.676 ( 1.706 0.000 5.693) 5.943 12.728 ( -1.455 0.000 -0.254) 1.477 12.874 ( 10.113 0.000 9.734) 14.037 12.915 ( -15.300 0.000 2.297) 15.472 13.459 ( -5.983 0.000 16.912) 17.940 13.483 ( -1.100 0.000 9.167) 9.233 13.497 ( -2.128 0.000 -9.494) 9.730 13.662 ( -3.023 0.000 9.618) 10.082 13.721 ( 2.591 0.000 -6.095) 6.623 14.109 ( -9.820 0.000 5.119) 11.074 14.259 ( -0.268 0.000 -3.655) 3.665 14.262 ( -3.524 0.000 2.843) 4.528 14.437 ( -14.085 0.000 5.554) 15.140 14.443 ( -4.465 0.000 4.262) 6.173 14.465 ( 5.789 0.000 -4.461) 7.308 14.709 ( -2.941 0.000 -3.576) 4.630 14.870 ( 14.302 0.000 7.364) 16.086 15.105 ( 3.285 0.000 3.693) 4.943 15.277 ( 1.591 0.000 6.323) 6.521 15.438 ( -5.498 0.000 0.699) 5.542 15.615 ( 3.313 0.000 -2.735) 4.297 15.744 ( -0.865 0.000 -5.142) 5.215 15.749 ( -1.262 0.000 -9.547) 9.630 16.042 ( 0.352 0.000 -4.567) 4.581 16.193 ( 1.481 0.000 9.595) 9.709 16.856 ( 5.140 0.000 3.159) 6.033 17.386 ( 1.264 0.000 7.346) 7.454 17.408 ( 2.723 0.000 4.314) 5.102 17.656 ( 1.917 0.000 5.591) 5.910 17.776 ( -0.946 0.000 3.702) 3.821 17.840 ( 6.061 0.000 8.643) 10.557 18.106 ( 4.377 0.000 -1.724) 4.705 18.291 ( -3.635 0.000 13.686) 14.160 18.369 ( 0.101 0.000 -1.968) 1.971 18.396 ( -0.493 0.000 -2.924) 2.965 18.476 ( -1.631 0.000 4.974) 5.234 18.707 ( 4.361 0.000 4.174) 6.036 19.205 ( -4.547 0.000 -16.794) 17.399 27.468 ( 0.039 0.000 2.843) 2.843 27.497 ( -1.054 0.000 2.496) 2.709 27.580 ( 2.310 0.000 1.588) 2.803 27.731 ( -1.604 0.000 1.778) 2.394 29.737 ( 1.168 0.000 5.296) 5.423 29.849 ( -1.567 0.000 4.285) 4.562 29.960 ( 2.755 0.000 6.347) 6.919 30.124 ( -1.259 0.000 1.978) 2.345 30.205 ( -1.069 0.000 4.541) 4.665 30.355 ( -5.432 0.000 7.395) 9.176 30.607 ( 2.009 0.000 -4.378) 4.817 30.757 ( -1.623 0.000 -6.216) 6.425 30.961 ( -2.655 0.000 11.370) 11.676 31.181 ( -3.616 0.000 22.685) 22.972 32.737 ( 13.509 0.000 -15.939) 20.894 33.218 ( -3.014 0.000 -15.664) 15.952 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 19.683 0.000 33.587) 38.929 2.465 ( 23.591 0.000 29.531) 37.797 2.736 ( -18.353 0.000 26.059) 31.874 2.888 ( -20.656 0.000 22.915) 30.850 3.673 ( 39.296 0.000 38.993) 55.359 4.368 ( -23.394 0.000 13.400) 26.960 4.374 ( 11.773 0.000 -2.747) 12.090 4.620 ( 1.268 0.000 3.443) 3.669 4.669 ( -0.110 0.000 1.073) 1.079 4.722 ( 21.993 0.000 -5.104) 22.578 4.896 ( -0.577 0.000 1.160) 1.295 4.943 ( -13.818 0.000 7.349) 15.650 5.423 ( -11.882 0.000 7.099) 13.842 5.515 ( -19.082 0.000 -11.024) 22.038 6.203 ( 14.627 0.000 -11.693) 18.726 6.373 ( 12.982 0.000 -12.615) 18.102 6.469 ( 3.568 0.000 -1.854) 4.021 6.489 ( -14.244 0.000 -6.689) 15.737 6.530 ( -3.936 0.000 5.202) 6.523 6.624 ( -12.207 0.000 -21.706) 24.903 6.732 ( 6.358 0.000 -23.876) 24.708 6.889 ( -8.998 0.000 -17.323) 19.521 8.170 ( 15.809 0.000 -17.430) 23.531 8.453 ( -12.138 0.000 -22.704) 25.745 9.378 ( 2.052 0.000 -11.702) 11.881 9.442 ( -4.230 0.000 -12.771) 13.454 9.611 ( 1.071 0.000 -8.373) 8.441 9.683 ( -6.205 0.000 -7.809) 9.975 9.767 ( 1.563 0.000 -3.737) 4.051 9.841 ( -6.033 0.000 -3.163) 6.812 10.546 ( 9.632 0.000 -7.314) 12.094 10.804 ( -16.139 0.000 -7.244) 17.690 11.018 ( 10.617 0.000 18.987) 21.753 11.198 ( -6.747 0.000 17.709) 18.951 11.642 ( 4.129 0.000 -0.556) 4.167 11.740 ( -4.618 0.000 -0.919) 4.708 11.871 ( 11.668 0.000 6.514) 13.363 12.060 ( -8.242 0.000 1.436) 8.366 12.256 ( 7.821 0.000 -2.755) 8.292 12.273 ( 0.984 0.000 -0.401) 1.063 12.353 ( -7.335 0.000 -0.631) 7.362 12.364 ( -1.882 0.000 -4.052) 4.468 12.619 ( 10.592 0.000 -0.294) 10.596 12.843 ( 15.427 0.000 10.036) 18.404 12.850 ( -7.964 0.000 2.515) 8.351 13.065 ( 4.009 0.000 12.991) 13.596 13.261 ( -7.284 0.000 8.267) 11.018 13.390 ( -10.119 0.000 8.355) 13.123 13.545 ( 7.696 0.000 -5.880) 9.685 13.696 ( 6.775 0.000 12.140) 13.903 13.701 ( -5.781 0.000 -6.654) 8.815 13.873 ( -11.452 0.000 12.240) 16.762 14.249 ( 0.734 0.000 -1.761) 1.908 14.283 ( 3.079 0.000 1.112) 3.274 14.294 ( -2.791 0.000 -2.225) 3.570 14.356 ( -4.433 0.000 2.514) 5.096 14.560 ( 4.137 0.000 -2.635) 4.905 14.638 ( -4.123 0.000 -3.584) 5.463 15.118 ( 11.448 0.000 5.162) 12.558 15.158 ( 3.385 0.000 2.261) 4.070 15.243 ( -4.531 0.000 2.859) 5.358 15.307 ( -8.307 0.000 3.022) 8.839 15.674 ( 2.790 0.000 -4.198) 5.040 15.719 ( -1.840 0.000 -4.861) 5.197 15.816 ( 6.573 0.000 -12.861) 14.443 15.955 ( -7.074 0.000 -11.207) 13.253 16.347 ( 13.657 0.000 20.151) 24.343 16.666 ( -17.654 0.000 18.504) 25.575 17.444 ( 2.547 0.000 8.453) 8.829 17.465 ( 1.021 0.000 5.948) 6.035 17.702 ( 2.610 0.000 4.906) 5.557 17.747 ( -2.007 0.000 4.198) 4.653 18.058 ( 12.136 0.000 4.881) 13.081 18.203 ( -0.989 0.000 3.662) 3.793 18.223 ( 3.654 0.000 2.869) 4.646 18.374 ( 0.397 0.000 -2.244) 2.279 18.384 ( -7.681 0.000 -3.326) 8.370 18.384 ( -0.643 0.000 -2.594) 2.673 18.852 ( 10.203 0.000 -4.042) 10.975 19.059 ( -10.229 0.000 -12.671) 16.285 27.471 ( 0.292 0.000 2.525) 2.542 27.480 ( -0.697 0.000 2.365) 2.465 27.632 ( 2.983 0.000 1.740) 3.453 27.689 ( -2.734 0.000 1.765) 3.254 29.768 ( 2.036 0.000 5.016) 5.413 29.811 ( -2.272 0.000 4.633) 5.160 30.034 ( 4.588 0.000 7.046) 8.408 30.100 ( -1.665 0.000 4.542) 4.837 30.186 ( -0.370 0.000 4.409) 4.424 30.231 ( -5.743 0.000 6.945) 9.012 30.657 ( 2.993 0.000 -4.978) 5.809 30.714 ( -2.765 0.000 -5.677) 6.315 30.985 ( 4.377 0.000 18.400) 18.914 31.089 ( -5.672 0.000 21.141) 21.889 32.974 ( 10.365 0.000 -19.388) 21.985 33.131 ( -6.211 0.000 -17.742) 18.798 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 19.218 35.245) 40.144 1.905 ( 0.000 5.856 41.000) 41.416 3.255 ( 0.000 11.439 20.719) 23.667 3.264 ( 0.000 38.016 52.122) 64.513 3.624 ( 0.000 7.512 16.016) 17.690 3.919 ( 0.000 2.995 -13.453) 13.782 4.173 ( 0.000 -4.104 4.578) 6.148 4.306 ( 0.000 12.296 -0.370) 12.301 4.502 ( 0.000 14.671 9.002) 17.213 5.149 ( 0.000 1.392 -4.592) 4.799 5.424 ( 0.000 8.404 1.580) 8.551 5.517 ( 0.000 15.285 12.831) 19.957 5.594 ( 0.000 -9.294 -6.407) 11.288 5.790 ( 0.000 1.095 3.117) 3.304 5.916 ( 0.000 -6.317 -17.235) 18.356 6.065 ( 0.000 -2.261 1.763) 2.867 6.194 ( 0.000 -18.175 -5.594) 19.016 6.399 ( 0.000 -2.430 -29.947) 30.045 6.801 ( 0.000 5.735 -7.814) 9.693 6.903 ( 0.000 5.901 -19.955) 20.809 7.083 ( 0.000 15.680 -7.453) 17.362 7.289 ( 0.000 11.684 -12.480) 17.096 7.794 ( 0.000 -4.571 -11.303) 12.192 8.557 ( 0.000 -7.638 -25.458) 26.579 9.368 ( 0.000 0.555 -11.282) 11.295 9.516 ( 0.000 -3.717 -12.885) 13.410 9.704 ( 0.000 2.897 -0.836) 3.015 9.742 ( 0.000 -3.280 -2.296) 4.003 9.953 ( 0.000 11.628 -18.381) 21.750 9.980 ( 0.000 -5.283 -0.948) 5.367 10.589 ( 0.000 -0.899 4.298) 4.391 10.703 ( 0.000 -6.406 15.089) 16.392 11.145 ( 0.000 -9.606 16.909) 19.448 11.207 ( 0.000 9.040 2.560) 9.395 11.460 ( 0.000 -6.834 -7.024) 9.800 11.653 ( 0.000 -4.365 -0.217) 4.370 11.762 ( 0.000 -5.292 -7.331) 9.042 11.891 ( 0.000 -9.925 -6.429) 11.826 12.005 ( 0.000 11.588 4.733) 12.517 12.072 ( 0.000 -11.985 2.982) 12.351 12.300 ( 0.000 -4.315 -1.092) 4.451 12.391 ( 0.000 -6.949 2.842) 7.507 12.520 ( 0.000 4.803 -8.294) 9.584 12.542 ( 0.000 -22.221 4.476) 22.667 12.877 ( 0.000 3.718 9.721) 10.408 12.980 ( 0.000 -3.369 8.252) 8.913 13.459 ( 0.000 -1.457 -2.514) 2.906 13.511 ( 0.000 6.052 12.372) 13.773 13.668 ( 0.000 -1.127 1.932) 2.237 13.775 ( 0.000 8.512 -8.382) 11.946 13.903 ( 0.000 14.103 1.837) 14.222 14.131 ( 0.000 -1.184 -0.995) 1.546 14.253 ( 0.000 -4.963 0.737) 5.018 14.319 ( 0.000 -4.591 -7.921) 9.156 14.438 ( 0.000 6.711 6.882) 9.612 14.512 ( 0.000 -3.709 10.388) 11.030 14.597 ( 0.000 -1.741 5.108) 5.397 14.728 ( 0.000 1.025 -2.860) 3.038 14.736 ( 0.000 1.792 -1.786) 2.530 15.017 ( 0.000 1.113 3.510) 3.682 15.291 ( 0.000 4.292 9.569) 10.487 15.387 ( 0.000 -14.007 0.859) 14.034 15.512 ( 0.000 -4.252 -3.817) 5.714 15.545 ( 0.000 -0.729 -0.679) 0.996 16.000 ( 0.000 7.259 -13.496) 15.325 16.217 ( 0.000 0.258 -0.513) 0.574 16.226 ( 0.000 9.419 9.663) 13.494 16.581 ( 0.000 -3.420 5.342) 6.342 17.386 ( 0.000 -4.816 9.105) 10.301 17.393 ( 0.000 1.532 6.182) 6.369 17.583 ( 0.000 -10.535 3.635) 11.144 17.602 ( 0.000 -1.389 0.796) 1.601 17.867 ( 0.000 0.483 10.008) 10.020 18.020 ( 0.000 -4.612 -1.075) 4.736 18.220 ( 0.000 -1.122 0.067) 1.124 18.379 ( 0.000 2.508 10.617) 10.909 18.426 ( 0.000 5.132 0.154) 5.135 18.632 ( 0.000 -2.944 4.235) 5.158 18.806 ( 0.000 14.026 3.244) 14.396 19.206 ( 0.000 -3.463 -16.541) 16.899 27.484 ( 0.000 1.479 2.959) 3.309 27.517 ( 0.000 0.601 2.681) 2.748 27.555 ( 0.000 0.136 1.303) 1.310 27.747 ( 0.000 -0.049 1.824) 1.825 29.759 ( 0.000 2.042 2.523) 3.246 29.855 ( 0.000 -0.580 5.284) 5.316 29.971 ( 0.000 2.895 5.464) 6.184 30.084 ( 0.000 -4.349 2.047) 4.806 30.259 ( 0.000 4.129 6.221) 7.466 30.281 ( 0.000 -8.976 3.474) 9.625 30.589 ( 0.000 -3.319 3.908) 5.127 30.800 ( 0.000 2.420 0.330) 2.442 31.084 ( 0.000 6.786 -1.289) 6.908 31.365 ( 0.000 12.951 12.904) 18.282 32.528 ( 0.000 -3.883 -8.593) 9.430 33.165 ( 0.000 -7.549 -13.579) 15.537 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 14.490 4.137 38.262) 41.122 2.150 ( 22.452 16.337 30.798) 41.467 3.143 ( -10.523 11.402 22.576) 27.394 3.386 ( -11.590 17.892 19.227) 28.707 3.451 ( 11.245 25.676 43.345) 51.619 4.086 ( 10.430 -2.602 -7.843) 13.307 4.281 ( 12.246 -1.448 3.203) 12.741 4.422 ( 10.382 8.442 -3.461) 13.821 4.608 ( 10.417 13.922 9.493) 19.810 5.038 ( -7.677 8.353 -3.775) 11.957 5.265 ( -14.354 4.408 0.542) 15.025 5.371 ( -12.825 18.874 12.296) 25.921 5.586 ( -9.830 -5.170 6.323) 12.780 5.829 ( 10.532 -5.594 -9.905) 15.502 5.907 ( -10.279 1.604 -13.534) 17.071 6.089 ( 5.829 -5.765 -5.997) 10.158 6.193 ( 1.900 -16.099 -6.008) 17.288 6.399 ( -0.034 -6.754 -12.433) 14.149 6.774 ( -4.545 4.115 -19.013) 19.977 6.861 ( -3.185 8.311 -16.781) 18.995 6.989 ( -6.728 15.037 -6.269) 17.626 7.228 ( -7.335 13.058 -14.122) 20.585 7.867 ( 8.713 -5.233 -12.405) 16.036 8.527 ( -3.956 -7.213 -24.272) 25.628 9.365 ( 0.165 0.800 -11.237) 11.266 9.496 ( -1.843 -1.558 -12.718) 12.945 9.667 ( -1.984 0.553 -3.204) 3.809 9.741 ( -0.921 0.607 -3.670) 3.832 9.933 ( -2.691 6.489 -9.148) 11.534 9.948 ( -3.373 2.844 -5.989) 7.439 10.506 ( -3.512 1.230 0.510) 3.756 10.757 ( 5.073 -6.367 13.161) 15.475 11.113 ( -5.155 -3.844 5.858) 8.699 11.219 ( -1.378 0.606 8.870) 8.997 11.549 ( 1.524 -4.525 -7.677) 9.041 11.650 ( 3.061 -4.039 6.398) 8.162 11.714 ( 2.770 -0.712 1.733) 3.344 11.928 ( 3.567 -12.914 -7.009) 15.121 12.081 ( 2.120 -4.021 0.776) 4.612 12.146 ( 5.833 -7.907 -2.180) 10.065 12.266 ( -3.718 -6.697 0.663) 7.688 12.360 ( -3.025 -8.405 5.315) 10.394 12.460 ( -2.333 -11.158 3.647) 11.969 12.618 ( 9.068 -0.859 -1.705) 9.267 12.865 ( -1.644 1.785 9.367) 9.676 13.061 ( 8.286 4.705 6.814) 11.714 13.391 ( -6.346 -1.145 -0.442) 6.463 13.544 ( -4.219 5.326 6.664) 9.517 13.621 ( 0.398 4.944 4.887) 6.963 13.676 ( -5.889 0.457 -3.854) 7.053 13.890 ( 1.953 13.084 3.763) 13.753 14.089 ( -11.532 -1.274 6.296) 13.201 14.213 ( 2.892 -1.830 -4.367) 5.548 14.315 ( -1.051 0.390 -3.631) 3.800 14.437 ( -7.450 1.169 2.427) 7.922 14.478 ( -3.484 -0.316 6.347) 7.247 14.489 ( -2.128 4.375 -0.397) 4.881 14.697 ( -3.135 -0.543 -3.299) 4.583 14.828 ( 12.320 -2.372 6.914) 14.325 15.102 ( 4.654 -0.171 2.934) 5.505 15.315 ( 0.790 2.329 5.677) 6.187 15.387 ( -4.608 -3.384 -0.706) 5.760 15.498 ( 5.222 -9.788 -2.183) 11.306 15.625 ( 4.389 -0.391 -3.075) 5.374 15.950 ( -3.142 9.093 -10.874) 14.519 16.140 ( -5.290 3.675 -2.253) 6.824 16.239 ( 1.852 4.503 12.002) 12.952 16.713 ( 3.325 -11.193 7.761) 14.020 17.363 ( 1.265 -3.607 8.014) 8.879 17.430 ( 2.573 1.693 5.697) 6.476 17.570 ( -1.139 -10.404 4.431) 11.365 17.627 ( 1.100 -2.466 0.103) 2.702 17.852 ( 3.806 -1.340 7.135) 8.197 18.124 ( 6.926 -0.534 0.164) 6.948 18.253 ( 3.109 -1.242 -1.879) 3.839 18.349 ( -3.169 2.341 11.781) 12.422 18.419 ( -0.625 4.317 -1.971) 4.787 18.604 ( -4.538 -0.084 3.261) 5.589 18.789 ( 1.203 8.666 -0.416) 8.759 19.185 ( -2.988 -1.804 -14.332) 14.751 27.483 ( -0.007 1.408 2.773) 3.110 27.505 ( -0.822 0.848 2.381) 2.658 27.582 ( 2.297 0.106 1.659) 2.835 27.731 ( -1.600 -0.043 1.820) 2.424 29.768 ( 0.951 1.937 2.958) 3.661 29.850 ( -0.610 0.088 5.040) 5.077 29.980 ( 1.084 1.247 5.650) 5.887 30.084 ( -0.093 -3.655 2.860) 4.642 30.198 ( -3.550 -1.751 4.803) 6.224 30.275 ( -2.784 -2.879 5.205) 6.567 30.623 ( 2.918 -1.618 4.090) 5.278 30.779 ( -1.775 1.378 3.001) 3.749 31.044 ( -1.501 9.238 2.921) 9.804 31.321 ( -4.406 12.395 12.960) 18.466 32.670 ( 11.846 -6.156 -14.238) 19.518 33.136 ( -3.102 -7.651 -14.466) 16.656 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 20.902 4.096 31.127) 37.717 2.567 ( 15.354 10.116 26.123) 31.945 2.877 ( -13.484 12.043 27.119) 32.593 3.032 ( -18.510 12.212 22.845) 31.838 3.916 ( 28.276 21.589 31.202) 47.321 4.204 ( 0.872 -4.422 0.016) 4.507 4.518 ( 4.080 -3.145 -5.261) 7.363 4.652 ( 13.413 7.880 5.514) 16.504 4.789 ( -10.634 7.246 10.982) 16.917 4.908 ( 8.649 17.081 6.938) 20.364 5.002 ( -7.494 11.885 -6.646) 15.543 5.134 ( -9.919 16.938 7.117) 20.879 5.399 ( -3.658 0.408 4.191) 5.577 5.609 ( -18.136 8.380 -15.333) 25.184 6.002 ( 7.525 -14.186 -2.943) 16.326 6.137 ( -4.583 -16.773 6.204) 18.462 6.285 ( 8.304 -7.022 -19.381) 22.223 6.394 ( -2.310 -10.409 -11.727) 15.849 6.690 ( 0.280 7.215 -17.769) 19.180 6.775 ( -5.903 10.913 -13.920) 18.647 6.936 ( 1.384 14.454 -11.408) 18.466 7.043 ( -9.546 12.314 -15.097) 21.695 8.111 ( 15.151 -5.577 -16.160) 22.843 8.380 ( -11.554 -6.653 -20.702) 24.624 9.390 ( 2.543 1.537 -10.920) 11.317 9.449 ( -3.063 1.358 -11.558) 12.034 9.661 ( 1.632 1.818 -6.408) 6.858 9.711 ( -2.400 2.306 -7.342) 8.061 9.861 ( -2.910 8.552 -4.659) 10.164 9.872 ( -3.321 5.358 -4.360) 7.665 10.567 ( 9.397 1.429 -6.508) 11.519 10.786 ( -8.913 -2.733 -3.428) 9.932 11.010 ( 3.614 -0.473 14.062) 14.527 11.149 ( -6.350 -3.910 16.257) 17.886 11.569 ( 2.273 -6.646 -0.340) 7.033 11.637 ( -4.487 -7.918 3.406) 9.717 11.846 ( 8.107 -4.411 2.852) 9.660 11.973 ( -3.569 -9.001 -3.893) 10.436 12.066 ( 1.865 -10.755 -0.514) 10.927 12.148 ( -5.219 -10.893 0.615) 12.094 12.258 ( 5.744 -7.404 7.414) 11.949 12.345 ( -2.621 -4.906 2.092) 5.942 12.587 ( 14.311 -2.078 -2.188) 14.626 12.766 ( 1.164 -3.023 3.012) 4.424 12.911 ( 7.217 3.011 9.313) 12.160 13.100 ( -9.437 1.841 3.167) 10.123 13.261 ( 0.084 -2.131 4.221) 4.730 13.376 ( -9.012 2.103 0.752) 9.285 13.656 ( 4.018 3.068 3.114) 5.937 13.726 ( 4.267 3.842 6.628) 8.770 13.847 ( -4.606 9.801 3.426) 11.358 13.931 ( -5.731 9.199 4.941) 11.911 14.229 ( -1.548 -0.513 -1.329) 2.104 14.240 ( -1.682 -4.301 -0.342) 4.631 14.363 ( 1.079 4.612 0.439) 4.757 14.402 ( -2.613 2.774 0.568) 3.853 14.554 ( 3.484 0.006 -1.218) 3.690 14.625 ( -3.982 -0.441 -2.706) 4.835 15.058 ( 10.996 -4.184 4.381) 12.554 15.189 ( 4.737 0.783 3.390) 5.877 15.246 ( -7.952 -3.447 -0.445) 8.678 15.291 ( -4.523 3.622 5.095) 7.716 15.612 ( 5.125 -5.295 -4.450) 8.608 15.672 ( -0.478 -1.497 -3.723) 4.041 15.938 ( 2.681 7.517 -10.095) 12.869 16.032 ( -5.949 5.718 -6.634) 10.587 16.346 ( 9.870 -0.173 17.283) 19.903 16.583 ( -12.951 -6.950 17.162) 22.596 17.436 ( 4.036 -4.664 7.162) 9.452 17.475 ( 0.803 2.115 5.810) 6.235 17.556 ( 0.737 -11.924 4.226) 12.672 17.604 ( -2.871 -6.093 2.854) 7.315 18.042 ( 12.358 -1.965 3.750) 13.064 18.214 ( -3.056 -0.246 5.775) 6.538 18.283 ( 3.982 3.490 2.948) 6.060 18.334 ( 2.964 0.514 -3.374) 4.520 18.395 ( -1.993 1.628 -2.428) 3.538 18.456 ( -9.418 1.930 -0.855) 9.652 18.897 ( 8.869 3.331 -5.332) 10.871 19.074 ( -8.397 0.866 -10.554) 13.515 27.485 ( 0.206 1.305 2.474) 2.805 27.492 ( -0.527 1.165 2.328) 2.656 27.633 ( 2.954 0.059 1.802) 3.460 27.689 ( -2.704 -0.003 1.819) 3.259 29.794 ( 1.730 1.763 3.878) 4.598 29.828 ( -1.625 1.293 4.589) 5.037 30.018 ( 2.800 -2.452 5.422) 6.577 30.070 ( -1.890 -4.111 4.229) 6.193 30.158 ( -0.133 -1.080 5.105) 5.220 30.198 ( -3.977 0.174 6.981) 8.036 30.681 ( 3.082 0.124 3.708) 4.823 30.738 ( -2.655 0.864 3.874) 4.775 31.084 ( 5.287 10.358 8.170) 14.213 31.209 ( -6.869 11.253 11.558) 17.533 32.889 ( 10.100 -7.822 -17.627) 21.769 33.046 ( -6.342 -7.891 -16.452) 19.317 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 23.412 24.226) 33.690 2.401 ( 0.000 31.136 27.038) 41.238 3.549 ( 0.000 16.123 24.465) 29.300 3.823 ( 0.000 10.838 15.167) 18.642 3.961 ( 0.000 4.266 -2.500) 4.944 4.073 ( 0.000 15.890 0.855) 15.913 4.231 ( 0.000 28.428 31.714) 42.590 4.540 ( 0.000 3.478 -9.976) 10.565 4.873 ( 0.000 17.183 10.199) 19.982 5.007 ( 0.000 -10.424 -7.827) 13.035 5.473 ( 0.000 0.308 -6.881) 6.888 5.475 ( 0.000 -3.994 18.284) 18.715 5.651 ( 0.000 -24.611 3.335) 24.836 5.824 ( 0.000 6.532 -1.853) 6.789 5.879 ( 0.000 1.074 -24.642) 24.665 6.012 ( 0.000 21.438 6.543) 22.415 6.206 ( 0.000 10.487 -7.251) 12.750 6.371 ( 0.000 3.035 -23.137) 23.335 6.941 ( 0.000 7.528 -15.146) 16.914 7.062 ( 0.000 7.134 -13.651) 15.403 7.333 ( 0.000 6.672 -13.044) 14.652 7.429 ( 0.000 -3.789 -12.868) 13.414 7.747 ( 0.000 5.310 -4.970) 7.273 8.379 ( 0.000 -8.276 -22.389) 23.869 9.414 ( 0.000 3.565 -8.508) 9.225 9.416 ( 0.000 -5.569 -11.112) 12.429 9.675 ( 0.000 -2.694 -2.024) 3.369 9.723 ( 0.000 -1.239 1.338) 1.824 9.972 ( 0.000 6.456 -0.827) 6.509 10.231 ( 0.000 14.204 -9.633) 17.163 10.563 ( 0.000 -1.696 1.889) 2.539 10.612 ( 0.000 -0.765 4.184) 4.253 10.931 ( 0.000 -10.110 12.464) 16.049 11.332 ( 0.000 -5.059 -4.842) 7.003 11.376 ( 0.000 -15.631 3.546) 16.028 11.410 ( 0.000 2.891 -1.696) 3.352 11.651 ( 0.000 -11.214 -8.444) 14.037 11.698 ( 0.000 -2.921 -3.697) 4.712 11.918 ( 0.000 -4.224 10.287) 11.120 11.967 ( 0.000 -21.195 11.005) 23.882 12.180 ( 0.000 -5.779 4.775) 7.496 12.261 ( 0.000 -2.784 -3.193) 4.236 12.311 ( 0.000 9.516 3.542) 10.154 12.604 ( 0.000 0.036 -5.517) 5.517 12.884 ( 0.000 -2.600 3.364) 4.252 12.935 ( 0.000 -4.371 3.853) 5.827 13.512 ( 0.000 5.742 -0.025) 5.742 13.574 ( 0.000 -1.912 5.987) 6.285 13.664 ( 0.000 1.343 1.984) 2.396 13.879 ( 0.000 2.589 -8.368) 8.759 14.041 ( 0.000 -3.952 10.516) 11.234 14.177 ( 0.000 5.265 3.483) 6.313 14.203 ( 0.000 -1.382 -2.990) 3.294 14.262 ( 0.000 4.010 5.704) 6.973 14.429 ( 0.000 -2.689 7.404) 7.877 14.519 ( 0.000 -0.605 0.845) 1.040 14.633 ( 0.000 6.590 2.045) 6.900 14.727 ( 0.000 -0.165 -2.509) 2.515 14.792 ( 0.000 3.452 1.848) 3.916 15.081 ( 0.000 2.508 -2.251) 3.370 15.148 ( 0.000 -8.137 -4.458) 9.278 15.336 ( 0.000 -3.011 -4.487) 5.404 15.448 ( 0.000 0.619 3.592) 3.645 15.509 ( 0.000 -3.260 8.230) 8.852 16.091 ( 0.000 -0.012 -3.229) 3.229 16.205 ( 0.000 -5.237 9.860) 11.164 16.306 ( 0.000 8.962 -5.339) 10.432 16.557 ( 0.000 -2.328 13.804) 13.999 17.152 ( 0.000 -13.493 7.676) 15.523 17.438 ( 0.000 1.264 1.562) 2.009 17.528 ( 0.000 3.098 1.944) 3.657 17.610 ( 0.000 2.307 -1.730) 2.884 17.858 ( 0.000 -0.817 8.523) 8.562 17.945 ( 0.000 -2.168 -3.623) 4.222 18.256 ( 0.000 2.242 -0.845) 2.396 18.397 ( 0.000 -1.001 8.874) 8.930 18.553 ( 0.000 6.713 1.273) 6.833 18.575 ( 0.000 -1.319 1.197) 1.781 18.988 ( 0.000 3.904 2.276) 4.519 19.111 ( 0.000 -5.466 -12.527) 13.667 27.519 ( 0.000 1.570 2.866) 3.268 27.547 ( 0.000 2.603 2.220) 3.421 27.559 ( 0.000 0.235 1.632) 1.649 27.742 ( 0.000 -0.467 1.887) 1.944 29.787 ( 0.000 0.822 1.274) 1.516 29.848 ( 0.000 0.018 7.177) 7.177 29.997 ( 0.000 -3.838 4.872) 6.202 30.030 ( 0.000 2.824 4.222) 5.079 30.096 ( 0.000 -8.360 0.649) 8.385 30.368 ( 0.000 5.812 8.968) 10.687 30.472 ( 0.000 -7.168 11.428) 13.490 30.789 ( 0.000 -3.274 5.441) 6.350 31.324 ( 0.000 15.190 -6.866) 16.670 31.683 ( 0.000 17.020 3.353) 17.347 32.413 ( 0.000 -7.415 -9.289) 11.885 32.960 ( 0.000 -12.021 -11.343) 16.527 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 9.259 19.823 26.004) 33.984 2.619 ( 17.342 28.206 23.813) 40.785 3.420 ( -11.977 14.513 24.938) 31.241 3.637 ( -14.760 13.530 13.753) 24.292 4.045 ( 4.472 -0.031 -1.037) 4.591 4.216 ( 14.162 18.212 3.708) 23.367 4.290 ( 1.855 14.930 18.861) 24.127 4.531 ( 4.104 5.671 3.845) 7.987 4.972 ( 9.815 16.701 7.163) 20.654 5.045 ( 1.356 -12.271 -6.219) 13.823 5.329 ( -2.519 7.545 -0.529) 7.972 5.558 ( 0.179 -14.159 6.202) 15.459 5.655 ( -7.297 1.677 -3.970) 8.475 5.800 ( -4.219 6.062 4.005) 8.402 5.872 ( 1.669 5.645 -1.192) 6.006 5.996 ( -0.953 7.960 -11.151) 13.734 6.174 ( -0.531 9.320 -9.699) 13.462 6.320 ( -4.327 3.173 -19.061) 19.802 6.889 ( -6.132 6.334 -15.661) 17.972 7.039 ( -2.333 6.802 -16.162) 17.690 7.215 ( -5.287 5.285 -10.943) 13.253 7.501 ( -3.328 11.204 -14.231) 18.415 7.727 ( 5.115 -6.227 -7.011) 10.681 8.353 ( -3.834 -8.683 -20.038) 22.172 9.413 ( 0.544 3.712 -8.404) 9.203 9.450 ( 3.191 -2.711 -10.923) 11.698 9.679 ( 0.364 0.747 -3.544) 3.640 9.729 ( 0.379 -1.372 0.876) 1.672 9.992 ( 1.926 7.014 -1.402) 7.408 10.210 ( -3.049 14.185 -10.269) 17.775 10.515 ( -1.227 -0.421 3.890) 4.101 10.666 ( 3.623 -1.251 1.114) 3.991 10.948 ( 0.819 -9.065 10.910) 14.208 11.258 ( -5.482 -0.816 1.176) 5.666 11.383 ( -1.072 -12.818 -2.552) 13.113 11.489 ( 6.175 -8.878 2.275) 11.051 11.651 ( -2.738 -8.224 -3.822) 9.473 11.692 ( 1.021 -5.811 -2.342) 6.348 11.868 ( -6.730 -18.639 9.720) 22.072 11.999 ( 5.173 -5.086 10.387) 12.670 12.142 ( -5.077 2.814 0.075) 5.805 12.221 ( 3.478 -9.254 0.066) 9.886 12.349 ( 1.770 3.892 -0.118) 4.277 12.661 ( 5.063 -0.647 -2.268) 5.585 12.847 ( 0.042 -3.540 4.310) 5.577 13.063 ( 8.548 -3.577 1.557) 9.397 13.437 ( -8.740 4.084 -0.686) 9.671 13.599 ( -0.890 -0.206 0.958) 1.323 13.683 ( -11.091 4.514 2.679) 12.270 13.708 ( 3.570 0.336 1.854) 4.036 14.046 ( -0.950 -0.673 6.399) 6.504 14.130 ( -4.090 -1.344 2.266) 4.865 14.188 ( -0.154 6.215 3.653) 7.211 14.308 ( 2.744 -0.803 4.914) 5.686 14.412 ( -4.551 -3.485 1.147) 5.845 14.476 ( -0.374 4.041 -4.938) 6.392 14.627 ( -3.489 6.846 3.258) 8.346 14.697 ( -2.532 0.568 -1.133) 2.831 14.829 ( 6.648 2.126 3.596) 7.851 15.085 ( 0.981 -3.096 1.587) 3.615 15.260 ( 6.336 -5.205 2.536) 8.583 15.307 ( -0.346 -3.631 -6.961) 7.858 15.452 ( 1.616 2.349 3.693) 4.665 15.610 ( 5.771 -1.296 2.039) 6.256 16.029 ( -4.761 -1.385 -1.314) 5.130 16.227 ( 2.101 -5.084 10.814) 12.133 16.274 ( -2.813 9.604 -2.198) 10.246 16.549 ( -1.698 -4.253 8.117) 9.320 17.181 ( 3.094 -11.291 7.150) 13.718 17.403 ( -2.555 0.026 2.386) 3.496 17.529 ( 0.061 1.806 0.720) 1.945 17.652 ( 0.525 3.426 -1.428) 3.748 17.812 ( 3.076 -1.532 5.947) 6.869 18.081 ( 8.292 -2.859 1.597) 8.915 18.288 ( 3.040 2.250 -2.395) 4.476 18.365 ( -3.350 -1.144 9.471) 10.111 18.519 ( -3.014 3.803 -1.078) 4.971 18.587 ( -0.326 1.908 1.880) 2.698 18.909 ( -3.907 2.103 -2.949) 5.328 19.132 ( -0.425 -3.458 -8.353) 9.051 27.517 ( -0.067 1.608 2.553) 3.018 27.541 ( -0.472 2.725 2.238) 3.557 27.584 ( 2.166 0.111 1.859) 2.857 27.727 ( -1.541 -0.417 1.893) 2.477 29.792 ( 0.653 0.528 1.761) 1.951 29.850 ( 0.121 -0.178 6.340) 6.344 29.968 ( -2.209 -2.633 4.706) 5.827 30.007 ( -2.437 -4.471 3.139) 5.982 30.126 ( 2.645 -0.985 4.250) 5.101 30.319 ( -3.102 3.794 7.669) 9.101 30.550 ( 5.410 -4.511 12.298) 14.172 30.760 ( -2.371 -2.974 7.599) 8.498 31.323 ( 0.750 16.342 -5.637) 17.303 31.633 ( -4.972 16.993 3.008) 17.959 32.505 ( 8.348 -9.639 -11.959) 17.482 32.926 ( -3.438 -12.244 -12.126) 17.572 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 19.608 14.124 24.508) 34.418 2.867 ( -0.813 17.873 21.127) 27.685 3.184 ( -3.911 18.096 26.109) 32.007 3.354 ( -13.643 19.070 19.616) 30.571 4.112 ( 3.697 -6.338 -0.182) 7.340 4.212 ( -6.422 -4.324 2.626) 8.176 4.573 ( 21.059 9.817 -0.742) 23.247 4.812 ( 20.621 17.892 19.337) 33.455 4.933 ( -12.602 -4.192 -4.494) 14.020 5.158 ( -0.203 17.126 9.567) 19.618 5.337 ( -2.058 5.571 4.585) 7.503 5.467 ( -1.577 14.738 2.405) 15.016 5.536 ( -2.323 -5.078 -6.152) 8.308 5.668 ( -6.258 1.022 -5.901) 8.662 5.860 ( -1.416 2.015 5.469) 5.998 5.924 ( -6.048 10.817 -3.347) 12.837 6.238 ( 3.201 2.690 -16.713) 17.228 6.268 ( -0.404 5.044 -18.156) 18.848 6.806 ( 1.409 3.806 -15.687) 16.204 6.933 ( -8.263 3.959 -15.901) 18.352 7.208 ( 3.365 10.572 -12.442) 16.670 7.327 ( -9.398 13.963 -12.412) 20.913 7.954 ( 14.464 -9.456 -12.734) 21.466 8.208 ( -11.117 -9.461 -16.163) 21.779 9.449 ( 2.977 4.189 -8.075) 9.572 9.492 ( -0.236 2.474 -9.343) 9.668 9.696 ( 1.902 2.395 -4.227) 5.217 9.730 ( -0.758 -0.090 -2.639) 2.747 10.037 ( 2.804 10.587 -3.249) 11.424 10.115 ( -5.472 13.630 -6.680) 16.135 10.575 ( 7.261 -0.776 -1.940) 7.556 10.707 ( -2.511 -3.380 -3.429) 5.430 10.954 ( 2.511 -5.095 11.519) 12.844 11.095 ( -10.047 -2.227 6.710) 12.286 11.396 ( 3.382 -8.578 4.006) 10.053 11.506 ( -7.451 -4.768 5.080) 10.201 11.652 ( 7.744 -13.411 0.949) 15.516 11.747 ( 0.771 -11.099 -5.502) 12.412 11.783 ( 0.717 -15.134 2.880) 15.422 11.928 ( -9.387 -12.504 3.917) 16.119 12.165 ( 5.069 -0.564 5.070) 7.191 12.256 ( -3.215 -2.748 3.731) 5.640 12.526 ( 16.507 -1.798 -2.216) 16.752 12.725 ( -1.347 -3.883 2.728) 4.933 12.899 ( 5.832 -3.066 3.040) 7.256 13.136 ( -18.554 0.830 -1.908) 18.670 13.236 ( 10.015 0.208 -0.919) 10.059 13.442 ( -10.408 3.974 0.271) 11.144 13.673 ( 3.530 0.330 3.768) 5.174 13.743 ( -2.047 -1.441 2.455) 3.506 14.027 ( 3.505 4.158 6.708) 8.636 14.121 ( -1.867 -6.399 1.986) 6.955 14.182 ( 0.510 9.559 3.248) 10.108 14.239 ( -5.983 5.408 -0.529) 8.083 14.410 ( 3.461 -0.517 2.869) 4.525 14.471 ( -2.116 3.880 0.831) 4.497 14.584 ( 0.385 2.637 0.999) 2.846 14.629 ( -3.579 0.553 -1.722) 4.010 14.986 ( 7.862 -2.307 0.001) 8.193 15.093 ( -2.361 -6.501 -0.808) 6.963 15.273 ( 3.135 2.458 4.285) 5.851 15.358 ( -2.281 2.237 8.176) 8.778 15.516 ( 5.485 -3.831 -2.516) 7.148 15.622 ( -4.477 -4.309 1.732) 6.450 16.019 ( 4.984 1.290 -0.676) 5.192 16.153 ( -7.206 4.067 1.025) 8.337 16.338 ( 6.786 0.113 7.612) 10.198 16.471 ( -6.230 -2.800 5.925) 9.042 17.262 ( 4.911 -8.043 5.153) 10.741 17.348 ( -3.666 -4.688 3.536) 6.923 17.542 ( 1.893 2.666 0.554) 3.316 17.601 ( -3.748 2.368 0.767) 4.499 17.989 ( 11.859 -2.466 4.671) 12.982 18.169 ( -3.440 -3.569 7.410) 8.915 18.296 ( 1.775 -1.652 1.692) 2.957 18.359 ( 0.731 -1.792 0.837) 2.109 18.455 ( -1.611 5.545 -2.665) 6.360 18.519 ( -5.578 5.730 -0.605) 8.019 18.938 ( 6.155 0.004 -5.324) 8.138 19.068 ( -5.949 -1.911 -6.686) 9.151 27.520 ( 0.403 2.035 2.329) 3.119 27.530 ( -0.592 2.514 2.264) 3.435 27.633 ( 2.830 -0.102 1.937) 3.430 27.687 ( -2.591 -0.283 1.917) 3.236 29.814 ( 1.660 0.098 3.082) 3.502 29.844 ( -0.997 0.027 4.608) 4.715 29.937 ( -0.463 -4.377 4.623) 6.383 29.957 ( -2.242 -5.559 3.116) 6.756 30.186 ( 3.525 3.362 7.526) 8.965 30.256 ( -3.612 4.478 7.993) 9.849 30.643 ( 4.251 -3.609 11.396) 12.687 30.712 ( -2.891 -3.184 9.908) 10.801 31.380 ( 5.353 17.095 -2.523) 18.090 31.509 ( -7.352 16.960 1.047) 18.515 32.679 ( 9.003 -12.103 -14.306) 20.789 32.830 ( -6.566 -12.599 -13.727) 19.756 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.000 31.901 7.904) 32.866 3.091 ( 0.000 34.680 19.118) 39.600 3.841 ( 0.000 7.660 18.927) 20.419 4.010 ( 0.000 1.922 2.852) 3.440 4.035 ( 0.000 6.629 12.142) 13.834 4.125 ( 0.000 -5.209 -4.406) 6.822 4.268 ( 0.000 -16.285 -2.677) 16.504 4.835 ( 0.000 -0.467 21.534) 21.539 4.950 ( 0.000 0.145 -14.711) 14.711 5.032 ( 0.000 -3.637 -1.156) 3.816 5.269 ( 0.000 6.423 12.577) 14.122 5.480 ( 0.000 11.111 23.651) 26.131 5.625 ( 0.000 8.446 -1.739) 8.623 5.803 ( 0.000 -2.091 -15.855) 15.992 6.084 ( 0.000 14.712 -21.859) 26.349 6.323 ( 0.000 3.058 5.827) 6.581 6.381 ( 0.000 5.935 -7.651) 9.683 6.601 ( 0.000 15.951 -10.852) 19.292 7.111 ( 0.000 8.540 -17.601) 19.564 7.113 ( 0.000 -7.933 -11.625) 14.074 7.229 ( 0.000 -4.539 -9.446) 10.480 7.309 ( 0.000 -8.558 -17.598) 19.569 7.961 ( 0.000 11.519 -8.232) 14.159 8.253 ( 0.000 -4.408 -18.465) 18.984 9.340 ( 0.000 -0.383 -5.651) 5.664 9.472 ( 0.000 0.505 -0.995) 1.116 9.648 ( 0.000 0.441 -5.216) 5.235 9.703 ( 0.000 -0.646 -2.123) 2.219 10.209 ( 0.000 15.762 4.052) 16.274 10.438 ( 0.000 4.640 5.255) 7.010 10.525 ( 0.000 -1.522 -0.357) 1.563 10.744 ( 0.000 12.295 -11.961) 17.153 10.768 ( 0.000 -5.088 7.613) 9.157 10.977 ( 0.000 -16.125 3.246) 16.449 11.204 ( 0.000 -24.226 7.680) 25.414 11.285 ( 0.000 0.590 -2.087) 2.168 11.429 ( 0.000 -10.484 -6.891) 12.546 11.580 ( 0.000 -4.512 0.599) 4.552 11.800 ( 0.000 -1.492 9.087) 9.208 11.990 ( 0.000 11.666 -2.517) 11.935 12.020 ( 0.000 -8.302 -1.772) 8.489 12.288 ( 0.000 5.079 -2.087) 5.491 12.486 ( 0.000 2.251 9.216) 9.487 12.519 ( 0.000 -4.823 -2.477) 5.422 12.753 ( 0.000 -9.299 -3.106) 9.803 12.813 ( 0.000 -6.496 2.815) 7.080 13.567 ( 0.000 1.672 -1.648) 2.348 13.627 ( 0.000 3.880 -0.086) 3.881 13.669 ( 0.000 2.535 1.994) 3.226 13.896 ( 0.000 -1.584 -6.722) 6.906 14.027 ( 0.000 0.292 14.119) 14.122 14.104 ( 0.000 -0.817 8.628) 8.667 14.150 ( 0.000 -9.084 4.773) 10.261 14.278 ( 0.000 -3.670 15.516) 15.944 14.552 ( 0.000 10.534 0.184) 10.535 14.577 ( 0.000 7.428 -8.126) 11.009 14.741 ( 0.000 2.925 2.295) 3.718 14.747 ( 0.000 2.191 0.502) 2.247 14.856 ( 0.000 1.906 3.689) 4.152 14.965 ( 0.000 -7.314 -2.182) 7.633 15.144 ( 0.000 0.181 -8.588) 8.590 15.216 ( 0.000 -6.203 -12.801) 14.225 15.458 ( 0.000 -0.444 12.069) 12.077 15.486 ( 0.000 1.188 9.420) 9.495 16.068 ( 0.000 -0.927 3.940) 4.048 16.121 ( 0.000 -2.950 7.248) 7.825 16.437 ( 0.000 1.047 -3.217) 3.383 16.473 ( 0.000 -4.498 12.094) 12.903 17.022 ( 0.000 3.360 2.052) 3.937 17.382 ( 0.000 -6.348 -2.876) 6.969 17.631 ( 0.000 6.071 0.468) 6.089 17.705 ( 0.000 5.758 0.051) 5.758 17.843 ( 0.000 -0.694 4.822) 4.871 17.885 ( 0.000 -4.565 -0.554) 4.598 18.283 ( 0.000 0.555 1.018) 1.159 18.349 ( 0.000 -3.074 8.517) 9.054 18.612 ( 0.000 4.622 -2.637) 5.321 18.681 ( 0.000 5.189 0.989) 5.282 18.994 ( 0.000 -5.470 -7.746) 9.483 18.995 ( 0.000 -2.305 2.359) 3.298 27.545 ( 0.000 1.011 2.592) 2.782 27.563 ( 0.000 0.091 2.023) 2.025 27.614 ( 0.000 3.519 2.094) 4.095 27.724 ( 0.000 -1.460 1.945) 2.432 29.801 ( 0.000 0.811 2.079) 2.231 29.864 ( 0.000 1.639 7.661) 7.835 29.914 ( 0.000 -4.641 4.930) 6.771 29.967 ( 0.000 -3.792 2.441) 4.510 30.094 ( 0.000 3.561 4.867) 6.031 30.318 ( 0.000 -7.375 11.162) 13.378 30.483 ( 0.000 5.359 10.427) 11.723 30.698 ( 0.000 -5.109 8.127) 9.599 31.652 ( 0.000 16.086 -9.395) 18.629 32.037 ( 0.000 17.141 -1.837) 17.239 32.224 ( 0.000 -10.975 -10.026) 14.865 32.687 ( 0.000 -14.318 -8.654) 16.731 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 2.431 28.690 12.422) 31.359 3.257 ( 11.651 32.540 16.688) 38.381 3.698 ( -11.892 10.940 21.354) 26.779 3.880 ( -7.839 1.116 4.532) 9.123 4.011 ( -3.592 -6.056 8.104) 10.736 4.099 ( -6.438 -0.862 5.499) 8.510 4.432 ( 15.931 -7.249 -6.768) 18.765 4.805 ( -2.403 -7.859 4.618) 9.427 4.865 ( -3.470 -5.005 5.247) 8.039 5.074 ( 2.110 -6.596 -5.436) 8.804 5.310 ( 6.997 16.397 11.300) 21.107 5.557 ( 2.838 8.973 9.597) 13.442 5.695 ( -1.444 -6.790 -1.705) 7.148 5.830 ( 6.183 14.562 -9.153) 18.277 6.132 ( 3.951 15.471 -19.607) 25.286 6.267 ( -4.514 3.408 4.864) 7.459 6.354 ( -0.202 10.104 -6.919) 12.248 6.569 ( -3.112 15.672 -11.148) 19.483 6.982 ( -8.976 -0.413 -12.824) 15.659 7.120 ( -6.252 1.144 -17.727) 18.832 7.207 ( 4.498 -1.205 -13.074) 13.878 7.453 ( 11.573 -10.528 -12.533) 20.046 7.840 ( -11.221 11.504 -8.351) 18.110 8.195 ( -6.516 -6.810 -15.826) 18.420 9.419 ( 7.248 0.641 -5.693) 9.239 9.496 ( 2.544 3.078 -2.473) 4.697 9.660 ( 1.927 -0.674 -3.068) 3.685 9.738 ( 2.069 0.146 -2.399) 3.172 10.217 ( 1.267 14.642 3.096) 15.020 10.438 ( -1.288 5.920 1.854) 6.336 10.517 ( 0.636 1.012 1.494) 1.913 10.744 ( -0.276 8.892 -12.281) 15.164 10.793 ( 1.718 -5.316 7.828) 9.617 11.007 ( 2.049 -14.968 2.456) 15.306 11.171 ( -2.062 -19.419 8.264) 21.205 11.308 ( 2.373 -1.470 0.312) 2.808 11.421 ( -0.717 -11.762 -5.325) 12.931 11.577 ( -0.216 -4.536 1.461) 4.770 11.713 ( -8.395 -0.781 4.329) 9.478 11.890 ( -8.670 -5.527 0.831) 10.315 12.103 ( 5.223 1.333 -2.397) 5.899 12.275 ( 1.013 6.951 0.538) 7.045 12.448 ( -2.846 4.075 3.808) 6.262 12.548 ( 2.590 -8.759 0.731) 9.163 12.749 ( 1.697 -4.804 -1.156) 5.225 12.932 ( 9.993 -8.898 -1.667) 13.484 13.514 ( -7.843 4.067 -2.275) 9.123 13.639 ( -1.716 1.869 -0.858) 2.678 13.701 ( 1.860 2.715 2.260) 3.992 13.786 ( -8.283 3.653 0.034) 9.053 14.001 ( -1.331 -3.511 8.118) 8.944 14.048 ( -4.431 -3.343 8.994) 10.569 14.173 ( 3.654 -4.907 3.224) 6.915 14.254 ( 0.778 -6.386 6.984) 9.495 14.511 ( -2.157 10.884 2.997) 11.493 14.611 ( 0.483 7.612 -3.384) 8.344 14.695 ( -4.540 1.127 4.816) 6.714 14.754 ( -3.041 3.297 -0.317) 4.496 14.868 ( 3.418 0.569 -0.089) 3.466 14.954 ( -0.852 -8.086 -0.421) 8.142 15.209 ( 8.349 -1.361 -2.468) 8.811 15.242 ( 1.522 -2.239 -2.247) 3.518 15.481 ( 1.424 0.978 7.010) 7.220 15.578 ( 3.971 -1.962 4.871) 6.584 16.005 ( -2.868 0.718 5.612) 6.343 16.133 ( 2.037 -3.782 6.807) 8.049 16.408 ( -3.129 1.893 1.399) 3.916 16.468 ( -1.176 -3.924 3.006) 5.081 17.085 ( 6.014 3.673 1.973) 7.318 17.408 ( 1.633 -3.259 -3.042) 4.748 17.543 ( -4.784 2.622 -0.593) 5.488 17.713 ( -4.675 0.136 -1.859) 5.033 17.831 ( 6.212 4.012 4.864) 8.851 18.008 ( 7.110 -3.998 4.418) 9.277 18.298 ( 0.786 -1.028 0.784) 1.513 18.317 ( -3.404 -2.830 8.884) 9.926 18.596 ( -1.192 5.428 -2.836) 6.239 18.692 ( 0.851 5.597 0.208) 5.665 18.896 ( -4.470 -2.156 -3.469) 6.055 19.039 ( -0.200 -5.650 -2.985) 6.393 27.548 ( 0.487 1.421 2.398) 2.830 27.583 ( 1.810 -0.177 2.143) 2.811 27.607 ( -0.725 3.303 2.094) 3.977 27.710 ( -1.386 -1.359 1.958) 2.757 29.800 ( 0.047 0.499 2.238) 2.294 29.849 ( -1.107 0.427 6.753) 6.857 29.893 ( -1.960 -4.296 4.320) 6.400 29.923 ( -3.193 -2.775 3.697) 5.618 30.164 ( 5.711 3.626 6.571) 9.431 30.349 ( 2.394 -2.540 9.086) 9.733 30.499 ( 1.474 1.331 12.042) 12.204 30.676 ( -2.094 -4.833 8.932) 10.369 31.670 ( 2.098 16.821 -8.728) 19.067 31.989 ( -4.779 17.331 -2.443) 18.143 32.279 ( 5.354 -12.361 -10.855) 17.300 32.649 ( -3.889 -14.569 -9.327) 17.731 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 13.191 21.473 16.567) 30.159 3.239 ( -14.903 17.685 18.362) 29.530 3.639 ( 7.019 24.748 18.686) 31.794 3.757 ( -5.233 10.493 10.912) 16.018 3.918 ( -2.785 -10.269 8.375) 13.541 3.968 ( -6.408 -7.207 7.836) 12.426 4.705 ( 7.039 -6.479 -1.401) 9.669 4.754 ( -1.581 -6.459 -3.631) 7.576 4.974 ( 15.755 -17.241 6.164) 24.155 5.148 ( 5.704 -1.079 -3.175) 6.616 5.381 ( -6.949 -3.676 -5.597) 9.650 5.442 ( -13.152 -4.783 -13.800) 19.654 5.678 ( 8.566 19.776 13.881) 25.635 5.873 ( -6.258 22.436 6.834) 24.274 6.186 ( 3.579 16.522 -10.309) 19.801 6.252 ( -0.886 9.853 -1.526) 10.010 6.409 ( 6.793 11.942 -12.215) 18.384 6.529 ( -2.190 15.564 -14.573) 21.434 6.840 ( -1.824 -0.561 -12.044) 12.194 6.957 ( -9.857 -0.833 -16.360) 19.118 7.350 ( 9.926 4.494 -13.578) 17.409 7.569 ( -11.486 9.121 -13.498) 19.933 7.736 ( 13.081 -10.943 -7.586) 18.666 8.004 ( -12.903 -10.373 -11.743) 20.297 9.548 ( 4.340 3.758 -4.616) 7.366 9.558 ( 2.986 5.623 -5.583) 8.468 9.711 ( 2.626 -1.319 -0.916) 3.078 9.747 ( -1.088 0.724 -0.895) 1.584 10.274 ( 4.681 12.644 0.629) 13.498 10.372 ( -4.874 10.275 -1.331) 11.450 10.573 ( 4.747 1.208 2.011) 5.295 10.686 ( -6.030 0.252 -3.574) 7.015 10.849 ( 5.316 -3.206 2.589) 6.726 10.974 ( -5.940 -8.071 -0.069) 10.021 11.217 ( 7.058 -13.499 7.747) 17.089 11.351 ( -3.123 -12.797 2.319) 13.376 11.418 ( 4.405 -4.638 0.118) 6.398 11.545 ( -7.367 -3.281 0.361) 8.073 11.584 ( 1.594 -6.056 0.832) 6.317 11.693 ( -9.987 -8.753 0.010) 13.280 12.176 ( 4.176 2.426 0.699) 4.880 12.271 ( -4.378 4.045 3.526) 6.926 12.498 ( 7.031 -4.178 0.361) 8.187 12.573 ( -0.700 -9.425 2.668) 9.820 12.861 ( 11.677 1.670 -3.656) 12.349 13.148 ( 1.592 -1.855 -3.716) 4.448 13.230 ( -7.177 1.027 -3.418) 8.015 13.478 ( -14.160 -2.582 -2.033) 14.537 13.710 ( 1.374 4.478 4.650) 6.601 13.740 ( -0.813 2.707 2.116) 3.531 13.988 ( -0.343 -5.864 3.460) 6.817 13.994 ( -0.676 -5.283 3.138) 6.182 14.287 ( 7.701 2.378 4.700) 9.330 14.352 ( 7.660 -2.878 4.467) 9.323 14.442 ( -5.284 8.093 8.764) 13.047 14.534 ( -8.310 1.476 7.630) 11.378 14.646 ( 0.185 4.189 -1.564) 4.475 14.676 ( -3.050 5.055 -3.703) 6.969 14.935 ( 2.780 -4.522 -3.825) 6.543 14.963 ( 0.331 -6.220 -3.074) 6.946 15.305 ( 5.863 0.886 8.097) 10.036 15.364 ( 5.860 -1.556 6.383) 8.804 15.463 ( -3.684 -1.054 5.536) 6.733 15.514 ( -7.269 -4.358 8.539) 12.031 16.073 ( 8.137 4.374 1.709) 9.395 16.188 ( -0.082 0.989 3.083) 3.238 16.342 ( -0.682 -1.281 1.137) 1.843 16.413 ( -4.574 -3.783 -1.091) 6.036 17.223 ( 7.760 4.491 1.184) 9.044 17.362 ( -6.173 4.966 0.135) 7.924 17.537 ( 3.420 -3.946 -3.763) 6.437 17.619 ( -4.766 -1.925 -3.024) 5.963 17.983 ( 8.827 2.583 6.679) 11.367 18.104 ( 0.127 -1.901 8.753) 8.958 18.233 ( -1.975 -3.877 4.086) 5.969 18.282 ( -3.238 -4.743 3.792) 6.882 18.601 ( 2.333 7.987 -2.993) 8.843 18.669 ( -3.639 8.144 -1.162) 8.995 18.891 ( 4.121 -4.355 -4.242) 7.345 18.989 ( -4.643 -5.723 -3.691) 8.242 27.564 ( 1.121 2.148 2.247) 3.304 27.587 ( -1.180 2.855 2.166) 3.773 27.626 ( 2.495 -0.688 2.077) 3.318 27.673 ( -2.324 -1.083 2.005) 3.255 29.809 ( 1.000 -0.243 3.314) 3.470 29.832 ( -0.920 -0.930 4.631) 4.812 29.858 ( -1.022 -3.047 4.737) 5.724 29.870 ( -2.025 -2.876 4.027) 5.347 30.278 ( 5.674 5.379 8.873) 11.826 30.360 ( -2.144 5.261 8.592) 10.301 30.547 ( 3.732 -5.323 12.081) 13.719 30.622 ( -3.581 -5.305 10.205) 12.046 31.743 ( 5.603 17.711 -6.809) 19.785 31.870 ( -7.085 17.702 -4.299) 19.546 32.407 ( 7.463 -14.333 -11.533) 19.853 32.546 ( -6.659 -14.911 -10.738) 19.545 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 0.000 -30.290 -2.457) 30.389 3.464 ( 0.000 30.290 -2.457) 30.389 3.771 ( 0.000 -25.686 10.461) 27.734 3.771 ( 0.000 25.686 10.461) 27.734 4.044 ( 0.000 -0.953 13.726) 13.759 4.044 ( 0.000 0.953 13.726) 13.759 4.468 ( 0.000 -19.932 11.729) 23.127 4.468 ( 0.000 19.932 11.729) 23.127 4.961 ( 0.000 -1.915 -11.300) 11.461 4.961 ( 0.000 1.915 -11.300) 11.461 5.502 ( 0.000 -11.119 0.037) 11.119 5.502 ( 0.000 11.119 0.037) 11.119 5.897 ( 0.000 -10.229 11.954) 15.733 5.897 ( 0.000 10.229 11.954) 15.733 6.187 ( 0.000 -3.163 -8.813) 9.364 6.187 ( 0.000 3.163 -8.813) 9.364 6.651 ( 0.000 -16.933 -5.711) 17.870 6.651 ( 0.000 16.933 -5.711) 17.870 7.053 ( 0.000 -12.732 -19.523) 23.308 7.053 ( 0.000 12.732 -19.523) 23.308 7.234 ( 0.000 -1.723 -12.442) 12.561 7.234 ( 0.000 1.723 -12.442) 12.561 8.151 ( 0.000 -6.655 -14.143) 15.631 8.151 ( 0.000 6.655 -14.143) 15.631 9.407 ( 0.000 -5.428 -0.134) 5.430 9.407 ( 0.000 5.428 -0.134) 5.430 9.680 ( 0.000 -1.754 -4.918) 5.221 9.680 ( 0.000 1.754 -4.918) 5.221 10.474 ( 0.000 -1.399 3.354) 3.634 10.474 ( 0.000 1.399 3.354) 3.634 10.627 ( 0.000 -17.064 4.764) 17.717 10.627 ( 0.000 17.064 4.764) 17.717 10.765 ( 0.000 -7.931 3.517) 8.676 10.765 ( 0.000 7.931 3.517) 8.676 11.127 ( 0.000 -15.031 -5.920) 16.155 11.127 ( 0.000 15.031 -5.920) 16.155 11.424 ( 0.000 -8.215 0.905) 8.265 11.424 ( 0.000 8.215 0.905) 8.265 11.860 ( 0.000 -6.427 -2.388) 6.856 11.860 ( 0.000 6.427 -2.388) 6.856 12.277 ( 0.000 -14.057 0.900) 14.086 12.277 ( 0.000 14.057 0.900) 14.086 12.440 ( 0.000 -8.922 -0.122) 8.923 12.440 ( 0.000 8.922 -0.122) 8.923 12.696 ( 0.000 -4.241 2.583) 4.966 12.696 ( 0.000 4.241 2.583) 4.966 13.630 ( 0.000 -3.174 -2.552) 4.072 13.630 ( 0.000 3.174 -2.552) 4.072 13.791 ( 0.000 -7.654 -1.968) 7.903 13.791 ( 0.000 7.654 -1.968) 7.903 14.030 ( 0.000 -1.279 9.481) 9.567 14.030 ( 0.000 1.279 9.481) 9.567 14.167 ( 0.000 -5.601 12.675) 13.857 14.167 ( 0.000 5.601 12.675) 13.857 14.705 ( 0.000 -1.500 -0.132) 1.506 14.705 ( 0.000 1.500 -0.132) 1.506 14.775 ( 0.000 -2.884 0.565) 2.939 14.775 ( 0.000 2.884 0.565) 2.939 14.849 ( 0.000 -0.091 -1.283) 1.287 14.849 ( 0.000 0.091 -1.283) 1.287 15.139 ( 0.000 -0.868 -9.267) 9.307 15.139 ( 0.000 0.868 -9.267) 9.307 15.481 ( 0.000 -1.481 9.631) 9.744 15.481 ( 0.000 1.481 9.631) 9.744 16.074 ( 0.000 -1.524 6.488) 6.665 16.074 ( 0.000 1.524 6.488) 6.665 16.420 ( 0.000 -0.082 5.180) 5.180 16.420 ( 0.000 0.082 5.180) 5.180 17.202 ( 0.000 -10.575 -3.071) 11.012 17.202 ( 0.000 10.575 -3.071) 11.012 17.755 ( 0.000 -5.119 -1.043) 5.224 17.755 ( 0.000 5.119 -1.043) 5.224 17.814 ( 0.000 -1.982 2.324) 3.055 17.814 ( 0.000 1.982 2.324) 3.055 18.298 ( 0.000 -1.472 6.284) 6.454 18.298 ( 0.000 1.472 6.284) 6.454 18.713 ( 0.000 -3.197 -2.998) 4.383 18.713 ( 0.000 3.197 -2.998) 4.383 18.940 ( 0.000 -1.383 -0.427) 1.447 18.940 ( 0.000 1.383 -0.427) 1.447 27.560 ( 0.000 -0.409 2.350) 2.385 27.560 ( 0.000 0.409 2.350) 2.385 27.680 ( 0.000 -2.758 2.006) 3.410 27.680 ( 0.000 2.758 2.006) 3.410 29.834 ( 0.000 -2.727 2.914) 3.991 29.834 ( 0.000 2.727 2.914) 3.991 29.909 ( 0.000 -2.503 6.339) 6.815 29.909 ( 0.000 2.503 6.339) 6.815 30.185 ( 0.000 -5.457 7.837) 9.549 30.185 ( 0.000 5.457 7.837) 9.549 30.590 ( 0.000 -5.230 9.914) 11.209 30.590 ( 0.000 5.230 9.914) 11.209 31.965 ( 0.000 -14.123 -10.223) 17.435 31.965 ( 0.000 14.123 -10.223) 17.435 32.377 ( 0.000 -15.896 -5.514) 16.825 32.377 ( 0.000 15.896 -5.514) 16.825 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -3.071 -29.035 2.814) 29.332 3.397 ( -3.071 29.035 2.814) 29.332 3.826 ( -6.767 -15.399 13.253) 21.414 3.826 ( -6.767 15.399 13.253) 21.414 4.047 ( 8.852 -22.154 11.673) 26.559 4.047 ( 8.852 22.154 11.673) 26.559 4.412 ( -3.321 -20.544 10.903) 23.494 4.412 ( -3.321 20.544 10.903) 23.494 4.946 ( -1.073 -8.177 -13.491) 15.813 4.946 ( -1.073 8.177 -13.491) 15.813 5.502 ( -1.881 -8.127 -2.183) 8.623 5.502 ( -1.880 8.127 -2.183) 8.623 5.996 ( 7.717 -17.825 11.496) 22.570 5.996 ( 7.717 17.825 11.496) 22.570 6.201 ( 2.380 -7.547 -9.294) 12.206 6.201 ( 2.380 7.547 -9.294) 12.206 6.637 ( -0.948 -14.484 -8.314) 16.728 6.637 ( -0.948 14.484 -8.314) 16.728 7.023 ( -4.514 -11.272 -17.826) 21.569 7.023 ( -4.514 11.272 -17.826) 21.569 7.275 ( 6.175 -5.056 -11.047) 13.628 7.275 ( 6.175 5.056 -11.047) 13.628 8.047 ( -10.409 -8.362 -12.747) 18.459 8.047 ( -10.409 8.362 -12.747) 18.459 9.479 ( 6.828 -3.895 -0.296) 7.866 9.479 ( 6.828 3.895 -0.296) 7.866 9.699 ( 1.497 -3.387 -4.512) 5.837 9.699 ( 1.497 3.387 -4.512) 5.837 10.472 ( 0.305 -3.162 3.524) 4.744 10.472 ( 0.305 3.162 3.524) 4.744 10.632 ( -0.264 -13.395 5.256) 14.392 10.632 ( -0.264 13.395 5.256) 14.392 10.805 ( 3.968 -6.184 1.038) 7.420 10.805 ( 3.968 6.184 1.038) 7.420 11.097 ( -2.501 -14.904 -5.138) 15.962 11.097 ( -2.501 14.904 -5.138) 15.962 11.437 ( 0.937 -7.661 3.177) 8.346 11.437 ( 0.937 7.661 3.177) 8.346 11.766 ( -9.118 -5.425 -3.180) 11.076 11.766 ( -9.118 5.425 -3.180) 11.076 12.255 ( -0.018 -10.192 -0.387) 10.199 12.255 ( -0.018 10.192 -0.387) 10.199 12.470 ( -0.330 -4.071 3.873) 5.629 12.470 ( -0.330 4.071 3.873) 5.629 12.751 ( 7.627 -6.484 -2.317) 10.275 12.751 ( 7.627 6.484 -2.317) 10.275 13.612 ( -5.362 -4.494 -2.552) 7.447 13.612 ( -5.362 4.494 -2.552) 7.447 13.787 ( 0.270 -4.090 -1.898) 4.517 13.787 ( 0.270 4.090 -1.898) 4.517 13.990 ( -7.449 -2.489 12.798) 15.016 13.990 ( -7.449 2.489 12.798) 15.016 14.134 ( 4.599 -2.826 5.009) 7.364 14.134 ( 4.599 2.826 5.009) 7.364 14.695 ( -2.913 -3.057 5.973) 7.315 14.695 ( -2.913 3.057 5.973) 7.315 14.744 ( -2.360 -6.743 -0.623) 7.171 14.744 ( -2.360 6.743 -0.623) 7.171 14.844 ( 0.459 -1.883 -3.706) 4.182 14.844 ( 0.459 1.883 -3.706) 4.182 15.205 ( 5.624 -1.228 -0.272) 5.763 15.205 ( 5.624 1.228 -0.272) 5.763 15.524 ( 1.579 -2.950 6.027) 6.894 15.524 ( 1.579 2.950 6.027) 6.894 16.058 ( 1.027 -3.625 5.975) 7.064 16.058 ( 1.027 3.625 5.975) 7.064 16.414 ( -1.550 -0.868 2.769) 3.290 16.414 ( -1.550 0.868 2.769) 3.290 17.255 ( 5.172 -9.872 -3.001) 11.542 17.255 ( 5.172 9.872 -3.001) 11.542 17.646 ( -6.716 -5.522 -1.812) 8.881 17.646 ( -6.716 5.522 -1.812) 8.881 17.927 ( 7.101 -4.234 3.761) 9.083 17.927 ( 7.101 4.234 3.761) 9.083 18.281 ( -2.302 -0.201 6.771) 7.154 18.281 ( -2.302 0.201 6.771) 7.154 18.713 ( 0.673 -4.408 -3.440) 5.631 18.713 ( 0.673 4.408 -3.440) 5.631 18.917 ( -2.468 -5.217 -0.934) 5.846 18.917 ( -2.468 5.217 -0.934) 5.846 27.572 ( 1.217 -0.863 2.300) 2.742 27.572 ( 1.217 0.863 2.300) 2.742 27.669 ( -1.114 -2.600 2.021) 3.477 27.669 ( -1.114 2.600 2.021) 3.477 29.824 ( -0.847 -2.078 2.857) 3.633 29.824 ( -0.847 2.078 2.857) 3.633 29.876 ( -2.598 -1.882 6.216) 6.995 29.876 ( -2.598 1.882 6.216) 6.995 30.256 ( 6.398 -5.056 8.410) 11.715 30.256 ( 6.398 5.056 8.410) 11.715 30.574 ( -1.880 -4.832 10.187) 11.430 30.574 ( -1.880 4.832 10.187) 11.430 31.998 ( 3.435 -14.979 -10.094) 18.387 31.998 ( 3.435 14.979 -10.094) 18.387 32.334 ( -4.352 -16.139 -6.151) 17.811 32.334 ( -4.352 16.139 -6.151) 17.811 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 5.179 -23.455 9.277) 25.750 3.413 ( 5.179 23.455 9.277) 25.750 3.591 ( -12.752 -16.494 14.150) 25.197 3.591 ( -12.752 16.494 14.150) 25.197 4.250 ( 8.181 -27.342 11.983) 30.953 4.250 ( 8.181 27.342 11.983) 30.953 4.358 ( -3.591 -23.439 11.795) 26.484 4.358 ( -3.591 23.439 11.795) 26.484 5.032 ( 12.219 -9.790 -14.587) 21.400 5.032 ( 12.219 9.790 -14.587) 21.400 5.334 ( -15.306 -1.894 -9.517) 18.122 5.334 ( -15.306 1.894 -9.517) 18.122 6.145 ( 7.642 -16.834 6.111) 19.470 6.145 ( 7.642 16.834 6.111) 19.470 6.244 ( -1.061 -9.845 -1.859) 10.075 6.244 ( -1.061 9.845 -1.859) 10.075 6.678 ( 7.011 -10.560 -13.772) 18.717 6.678 ( 7.011 10.560 -13.772) 18.717 6.868 ( -10.642 -8.888 -16.003) 21.175 6.868 ( -10.642 8.888 -16.003) 21.175 7.486 ( 14.677 -9.730 -9.465) 19.992 7.486 ( 14.677 9.730 -9.465) 19.992 7.787 ( -15.692 -10.339 -10.418) 21.486 7.787 ( -15.692 10.339 -10.418) 21.486 9.624 ( 6.984 -2.438 -0.862) 7.447 9.624 ( 6.984 2.438 -0.862) 7.447 9.708 ( -1.470 -3.361 -2.837) 4.637 9.708 ( -1.470 3.361 -2.837) 4.637 10.503 ( 3.234 -2.349 3.752) 5.482 10.503 ( 3.234 2.349 3.752) 5.482 10.585 ( -4.416 -3.859 4.654) 7.487 10.585 ( -4.416 3.859 4.654) 7.487 10.915 ( 7.130 -10.231 -2.065) 12.640 10.915 ( 7.130 10.231 -2.065) 12.640 11.036 ( -4.566 -14.432 -2.938) 15.419 11.036 ( -4.566 14.432 -2.938) 15.419 11.463 ( 2.634 -5.442 2.919) 6.713 11.463 ( 2.634 5.442 2.919) 6.713 11.573 ( -9.094 -3.806 -1.430) 9.961 11.573 ( -9.094 3.806 -1.430) 9.961 12.304 ( 4.734 -9.202 0.312) 10.353 12.304 ( 4.734 9.202 0.312) 10.353 12.406 ( -5.182 -7.157 2.718) 9.244 12.406 ( -5.182 7.157 2.718) 9.244 12.995 ( 16.854 -9.546 -4.307) 19.843 12.995 ( 16.854 9.546 -4.307) 19.843 13.352 ( -18.879 -8.021 -3.955) 20.890 13.352 ( -18.879 8.021 -3.955) 20.890 13.822 ( 2.790 -1.543 2.223) 3.887 13.822 ( 2.790 1.543 2.223) 3.887 13.882 ( -3.644 -1.470 5.850) 7.047 13.882 ( -3.644 1.470 5.850) 7.047 14.310 ( 11.793 -1.079 6.318) 13.422 14.310 ( 11.793 1.079 6.318) 13.422 14.536 ( -11.070 -1.536 7.191) 13.289 14.536 ( -11.070 1.536 7.191) 13.289 14.774 ( 3.173 -6.424 -1.002) 7.235 14.774 ( 3.173 6.424 -1.002) 7.235 14.831 ( -2.160 -5.719 -4.339) 7.497 14.831 ( -2.160 5.719 -4.339) 7.497 15.327 ( 7.047 -1.514 8.058) 10.812 15.327 ( 7.047 1.514 8.058) 10.812 15.465 ( -6.636 -1.046 8.300) 10.678 15.465 ( -6.636 1.046 8.300) 10.678 16.171 ( 9.215 -3.883 1.047) 10.055 16.171 ( 9.215 3.883 1.047) 10.055 16.335 ( -6.807 -2.502 0.123) 7.254 16.335 ( -6.807 2.502 0.123) 7.254 17.379 ( 7.243 -8.330 -3.023) 11.445 17.379 ( 7.243 8.330 -3.023) 11.445 17.516 ( -6.956 -6.743 -2.819) 10.090 17.516 ( -6.956 6.743 -2.819) 10.090 18.065 ( 7.264 -3.750 5.947) 10.109 18.065 ( 7.264 3.750 5.947) 10.109 18.198 ( -6.177 -2.150 6.933) 9.531 18.198 ( -6.177 2.150 6.933) 9.531 18.759 ( 4.044 -6.455 -3.290) 8.297 18.759 ( 4.044 6.455 -3.290) 8.297 18.847 ( -4.556 -7.144 -2.116) 8.733 18.847 ( -4.556 7.144 -2.116) 8.733 27.603 ( 1.905 -1.544 2.186) 3.285 27.603 ( 1.905 1.544 2.186) 3.285 27.640 ( -1.843 -2.163 2.079) 3.521 27.640 ( -1.843 2.163 2.079) 3.521 29.814 ( 0.102 -0.755 3.631) 3.710 29.814 ( 0.102 0.755 3.631) 3.710 29.832 ( -1.738 -0.678 5.160) 5.487 29.832 ( -1.738 0.678 5.160) 5.487 30.392 ( 7.138 -4.743 9.588) 12.860 30.392 ( 7.138 4.743 9.588) 12.860 30.510 ( -4.892 -4.545 10.319) 12.291 30.510 ( -4.892 4.545 10.319) 12.291 32.093 ( 6.279 -16.247 -9.303) 19.747 32.093 ( 6.279 16.247 -9.303) 19.747 32.223 ( -6.794 -16.528 -7.715) 19.464 32.223 ( -6.794 16.528 -7.715) 19.464 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 0.000 0.000 36.356) 36.356 2.772 ( 0.000 0.000 40.282) 40.282 3.485 ( 0.000 0.000 16.136) 16.136 3.539 ( 0.000 0.000 -0.316) 0.316 3.968 ( 0.000 0.000 23.169) 23.169 4.035 ( 0.000 0.000 32.509) 32.509 4.271 ( 0.000 0.000 7.664) 7.664 4.375 ( 0.000 0.000 5.205) 5.205 4.469 ( 0.000 0.000 13.841) 13.841 5.044 ( 0.000 0.000 -3.209) 3.209 5.114 ( 0.000 0.000 -12.997) 12.997 5.366 ( 0.000 0.000 -30.699) 30.699 5.668 ( 0.000 0.000 3.046) 3.046 5.697 ( 0.000 0.000 1.418) 1.418 5.792 ( 0.000 0.000 -13.569) 13.569 5.827 ( 0.000 0.000 -12.143) 12.143 6.133 ( 0.000 0.000 0.627) 0.627 6.257 ( 0.000 0.000 -10.206) 10.206 6.284 ( 0.000 0.000 -29.130) 29.130 6.597 ( 0.000 0.000 -14.781) 14.781 6.980 ( 0.000 0.000 13.378) 13.378 7.042 ( 0.000 0.000 2.058) 2.058 7.563 ( 0.000 0.000 -11.960) 11.960 8.094 ( 0.000 0.000 -24.840) 24.840 9.229 ( 0.000 0.000 -4.891) 4.891 9.309 ( 0.000 0.000 -11.060) 11.060 9.439 ( 0.000 0.000 -12.496) 12.496 9.576 ( 0.000 0.000 -5.240) 5.240 9.723 ( 0.000 0.000 -3.274) 3.274 10.008 ( 0.000 0.000 -3.787) 3.787 10.704 ( 0.000 0.000 4.988) 4.988 11.092 ( 0.000 0.000 -2.342) 2.342 11.093 ( 0.000 0.000 8.081) 8.081 11.350 ( 0.000 0.000 -10.742) 10.742 11.587 ( 0.000 0.000 -3.054) 3.054 11.651 ( 0.000 0.000 16.762) 16.762 11.791 ( 0.000 0.000 -0.415) 0.415 11.856 ( 0.000 0.000 1.638) 1.638 12.021 ( 0.000 0.000 -14.911) 14.911 12.072 ( 0.000 0.000 -0.219) 0.219 12.211 ( 0.000 0.000 -7.213) 7.213 12.251 ( 0.000 0.000 -3.292) 3.292 12.741 ( 0.000 0.000 4.712) 4.712 12.761 ( 0.000 0.000 4.730) 4.730 12.928 ( 0.000 0.000 -7.628) 7.628 12.967 ( 0.000 0.000 8.617) 8.617 13.343 ( 0.000 0.000 -6.867) 6.867 13.618 ( 0.000 0.000 -4.486) 4.486 13.689 ( 0.000 0.000 3.966) 3.966 13.690 ( 0.000 0.000 7.783) 7.783 13.974 ( 0.000 0.000 12.513) 12.513 14.122 ( 0.000 0.000 0.742) 0.742 14.173 ( 0.000 0.000 -9.389) 9.389 14.225 ( 0.000 0.000 -7.465) 7.465 14.492 ( 0.000 0.000 7.031) 7.031 14.668 ( 0.000 0.000 -1.050) 1.050 14.672 ( 0.000 0.000 0.166) 0.166 14.786 ( 0.000 0.000 9.413) 9.413 14.790 ( 0.000 0.000 10.565) 10.565 15.211 ( 0.000 0.000 10.383) 10.383 15.445 ( 0.000 0.000 -4.096) 4.096 15.482 ( 0.000 0.000 9.661) 9.661 15.550 ( 0.000 0.000 -1.368) 1.368 15.626 ( 0.000 0.000 -6.996) 6.996 15.721 ( 0.000 0.000 -3.097) 3.097 15.972 ( 0.000 0.000 -2.569) 2.569 16.213 ( 0.000 0.000 2.620) 2.620 16.678 ( 0.000 0.000 1.739) 1.739 17.526 ( 0.000 0.000 6.565) 6.565 17.533 ( 0.000 0.000 3.703) 3.703 17.775 ( 0.000 0.000 7.483) 7.483 17.869 ( 0.000 0.000 4.672) 4.672 18.056 ( 0.000 0.000 2.259) 2.259 18.111 ( 0.000 0.000 16.108) 16.108 18.319 ( 0.000 0.000 -3.074) 3.074 18.327 ( 0.000 0.000 -4.049) 4.049 18.585 ( 0.000 0.000 9.895) 9.895 18.701 ( 0.000 0.000 8.919) 8.919 18.769 ( 0.000 0.000 3.230) 3.230 18.889 ( 0.000 0.000 -15.438) 15.438 27.534 ( 0.000 0.000 3.069) 3.069 27.573 ( 0.000 0.000 3.111) 3.111 27.575 ( 0.000 0.000 0.926) 0.926 27.770 ( 0.000 0.000 0.371) 0.371 29.858 ( 0.000 0.000 7.503) 7.503 29.966 ( 0.000 0.000 5.699) 5.699 30.044 ( 0.000 0.000 4.740) 4.740 30.171 ( 0.000 0.000 1.659) 1.659 30.340 ( 0.000 0.000 6.963) 6.963 30.486 ( 0.000 0.000 -5.687) 5.687 30.554 ( 0.000 0.000 5.979) 5.979 30.619 ( 0.000 0.000 -8.505) 8.505 31.089 ( 0.000 0.000 6.235) 6.235 31.684 ( 0.000 0.000 21.801) 21.801 32.337 ( 0.000 0.000 -14.474) 14.474 32.949 ( 0.000 0.000 -13.847) 13.847 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 19.290 0.000 32.430) 37.733 2.851 ( 7.946 0.000 38.252) 39.068 3.434 ( -5.401 0.000 18.931) 19.687 3.501 ( -5.001 0.000 7.392) 8.925 4.067 ( 11.447 0.000 27.790) 30.056 4.149 ( 11.281 0.000 16.234) 19.768 4.275 ( 1.159 0.000 5.645) 5.763 4.491 ( 10.809 0.000 5.210) 11.999 4.594 ( 11.647 0.000 12.853) 17.345 4.822 ( -14.379 0.000 -5.704) 15.469 5.182 ( -1.021 0.000 -3.547) 3.691 5.237 ( -12.626 0.000 -22.618) 25.904 5.540 ( -10.283 0.000 0.190) 10.285 5.716 ( 4.657 0.000 -8.029) 9.282 5.815 ( 0.786 0.000 -4.563) 4.630 5.950 ( 9.910 0.000 -9.254) 13.559 6.110 ( -1.271 0.000 -3.180) 3.424 6.236 ( -5.262 0.000 -28.675) 29.154 6.321 ( 2.479 0.000 -11.277) 11.546 6.540 ( -6.049 0.000 -12.905) 14.252 6.833 ( -11.476 0.000 6.636) 13.256 6.963 ( -8.443 0.000 5.175) 9.902 7.619 ( 6.066 0.000 -13.841) 15.112 8.065 ( -3.175 0.000 -24.915) 25.117 9.205 ( -1.755 0.000 -5.587) 5.856 9.268 ( -3.267 0.000 -10.375) 10.877 9.424 ( -0.019 0.000 -8.898) 8.898 9.626 ( 2.655 0.000 -5.392) 6.010 9.689 ( -2.606 0.000 -4.017) 4.788 9.930 ( -7.865 0.000 -3.724) 8.702 10.512 ( -12.417 0.000 2.667) 12.700 10.977 ( -14.169 0.000 -6.294) 15.504 11.150 ( 6.678 0.000 8.203) 10.577 11.431 ( 6.035 0.000 -8.567) 10.479 11.568 ( -0.351 0.000 6.387) 6.396 11.716 ( 3.634 0.000 5.813) 6.855 11.811 ( 7.907 0.000 5.628) 9.706 12.038 ( 9.129 0.000 -2.766) 9.539 12.053 ( 3.285 0.000 -13.892) 14.275 12.126 ( 2.466 0.000 -0.672) 2.555 12.192 ( -1.205 0.000 -9.404) 9.481 12.242 ( 1.407 0.000 -3.092) 3.397 12.715 ( -5.245 0.000 0.994) 5.338 12.807 ( 6.196 0.000 6.907) 9.279 12.938 ( 2.194 0.000 0.706) 2.305 13.073 ( 10.148 0.000 8.109) 12.990 13.345 ( 1.877 0.000 -5.140) 5.472 13.596 ( -7.567 0.000 4.273) 8.690 13.617 ( -0.439 0.000 -4.939) 4.958 13.768 ( 4.728 0.000 5.629) 7.351 13.845 ( -9.785 0.000 12.793) 16.106 14.138 ( 0.320 0.000 -6.508) 6.516 14.184 ( 2.842 0.000 3.979) 4.890 14.289 ( 0.741 0.000 -8.717) 8.748 14.403 ( -8.299 0.000 9.300) 12.465 14.566 ( -8.599 0.000 7.612) 11.484 14.568 ( -4.854 0.000 2.933) 5.672 14.642 ( -3.572 0.000 -2.691) 4.472 15.036 ( 11.913 0.000 8.298) 14.518 15.199 ( -1.200 0.000 6.601) 6.710 15.437 ( -1.397 0.000 -1.375) 1.960 15.450 ( -4.761 0.000 8.237) 9.514 15.547 ( 0.087 0.000 -3.516) 3.517 15.618 ( -0.788 0.000 -7.046) 7.090 15.636 ( -1.955 0.000 -1.158) 2.272 15.962 ( -4.264 0.000 -2.491) 4.938 16.382 ( 13.706 0.000 6.056) 14.984 16.829 ( 12.302 0.000 -2.236) 12.503 17.510 ( -1.179 0.000 5.065) 5.200 17.554 ( 2.423 0.000 7.273) 7.665 17.788 ( 1.277 0.000 7.157) 7.271 17.865 ( -0.507 0.000 4.910) 4.936 17.991 ( -3.107 0.000 3.252) 4.498 18.192 ( 5.496 0.000 11.972) 13.173 18.317 ( -0.141 0.000 -3.265) 3.268 18.326 ( -0.187 0.000 -3.827) 3.832 18.541 ( -8.371 0.000 1.543) 8.512 18.559 ( -7.111 0.000 9.290) 11.699 18.789 ( 2.046 0.000 2.947) 3.588 18.931 ( 1.224 0.000 -7.984) 8.078 27.529 ( -0.318 0.000 2.749) 2.768 27.553 ( -0.968 0.000 3.165) 3.310 27.608 ( 2.285 0.000 1.066) 2.521 27.755 ( -1.596 0.000 0.382) 1.641 29.867 ( 0.906 0.000 7.354) 7.409 29.954 ( -1.214 0.000 5.901) 6.025 30.076 ( 3.195 0.000 4.882) 5.834 30.177 ( 0.696 0.000 2.790) 2.876 30.326 ( -1.288 0.000 6.862) 6.982 30.500 ( -5.338 0.000 5.995) 8.027 30.501 ( 1.453 0.000 -5.984) 6.158 30.608 ( -1.150 0.000 -8.257) 8.337 31.145 ( 5.707 0.000 8.499) 10.237 31.619 ( -6.206 0.000 19.245) 20.221 32.432 ( 8.689 0.000 -14.645) 17.028 32.907 ( -4.263 0.000 -14.157) 14.785 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 18.822 0.000 26.468) 32.478 3.051 ( 12.140 0.000 32.924) 35.091 3.278 ( -10.675 0.000 25.745) 27.871 3.337 ( -11.987 0.000 19.108) 22.556 4.350 ( 7.256 0.000 1.154) 7.347 4.378 ( 17.297 0.000 24.131) 29.690 4.408 ( 12.987 0.000 -2.828) 13.291 4.548 ( -12.890 0.000 -3.044) 13.245 4.677 ( 5.391 0.000 -1.337) 5.554 4.857 ( 13.638 0.000 10.052) 16.943 4.919 ( -19.237 0.000 -6.110) 20.184 5.078 ( -8.944 0.000 4.750) 10.127 5.444 ( 5.621 0.000 10.063) 11.527 5.711 ( -14.482 0.000 18.768) 23.706 5.870 ( 10.490 0.000 -18.039) 20.867 6.080 ( -10.096 0.000 -25.005) 26.966 6.115 ( 4.792 0.000 -20.484) 21.037 6.161 ( 11.112 0.000 -9.699) 14.749 6.266 ( -7.860 0.000 -15.998) 17.824 6.375 ( -10.598 0.000 -10.165) 14.685 6.706 ( -0.123 0.000 1.154) 1.160 6.787 ( -7.777 0.000 3.455) 8.510 7.783 ( 10.183 0.000 -18.909) 21.477 7.963 ( -7.695 0.000 -23.466) 24.696 9.190 ( 0.417 0.000 -6.414) 6.428 9.215 ( -2.048 0.000 -7.844) 8.107 9.471 ( 5.126 0.000 -4.041) 6.527 9.595 ( -6.006 0.000 -2.044) 6.345 9.666 ( 1.262 0.000 -5.385) 5.531 9.759 ( -8.173 0.000 -4.753) 9.454 10.428 ( 5.243 0.000 -4.340) 6.806 10.657 ( -16.485 0.000 -7.135) 17.963 11.326 ( 10.051 0.000 7.896) 12.782 11.467 ( -3.500 0.000 2.929) 4.564 11.616 ( 5.346 0.000 2.094) 5.742 11.717 ( -3.749 0.000 0.878) 3.850 11.964 ( 6.817 0.000 3.094) 7.486 12.077 ( -5.147 0.000 0.625) 5.185 12.112 ( 2.369 0.000 -11.565) 11.805 12.163 ( -2.674 0.000 -12.915) 13.189 12.198 ( 7.273 0.000 -2.871) 7.819 12.282 ( -0.779 0.000 -3.914) 3.991 12.694 ( 6.638 0.000 5.307) 8.498 12.881 ( -8.877 0.000 0.552) 8.894 13.036 ( 16.845 0.000 8.593) 18.910 13.308 ( 9.655 0.000 9.568) 13.593 13.382 ( -10.975 0.000 4.453) 11.844 13.456 ( 7.979 0.000 -3.409) 8.676 13.578 ( -4.169 0.000 -5.193) 6.660 13.598 ( -13.846 0.000 7.647) 15.818 13.918 ( 9.002 0.000 11.285) 14.436 14.107 ( -9.926 0.000 10.791) 14.662 14.179 ( 2.729 0.000 -4.335) 5.123 14.232 ( -3.649 0.000 -4.303) 5.642 14.346 ( 3.074 0.000 5.050) 5.912 14.436 ( -5.751 0.000 5.108) 7.691 14.558 ( 1.553 0.000 0.631) 1.676 14.585 ( -1.782 0.000 -1.695) 2.459 15.193 ( 1.930 0.000 2.120) 2.867 15.235 ( 8.846 0.000 5.866) 10.614 15.302 ( -8.731 0.000 3.248) 9.316 15.372 ( -5.413 0.000 3.076) 6.226 15.565 ( 1.572 0.000 -6.435) 6.624 15.596 ( -1.497 0.000 -7.048) 7.205 15.692 ( 6.377 0.000 -0.278) 6.383 15.836 ( -7.900 0.000 -1.207) 7.991 16.665 ( 15.341 0.000 10.166) 18.404 16.907 ( -6.907 0.000 4.890) 8.463 17.549 ( 4.497 0.000 3.936) 5.977 17.595 ( 0.522 0.000 6.805) 6.825 17.819 ( 1.718 0.000 6.382) 6.609 17.848 ( -1.242 0.000 5.541) 5.678 18.021 ( 7.998 0.000 -4.693) 9.273 18.237 ( -8.520 0.000 -1.274) 8.615 18.316 ( 0.117 0.000 -3.448) 3.450 18.321 ( -0.319 0.000 -3.590) 3.604 18.362 ( 0.670 0.000 6.559) 6.593 18.461 ( -5.864 0.000 11.875) 13.244 18.843 ( 3.481 0.000 1.049) 3.636 18.910 ( -2.935 0.000 -2.763) 4.031 27.527 ( 0.184 0.000 2.816) 2.822 27.536 ( -0.742 0.000 3.165) 3.250 27.659 ( 2.863 0.000 0.704) 2.948 27.713 ( -2.653 0.000 0.475) 2.696 29.891 ( 1.577 0.000 6.945) 7.122 29.924 ( -1.759 0.000 6.395) 6.632 30.153 ( 4.099 0.000 4.925) 6.408 30.192 ( 0.257 0.000 4.510) 4.517 30.307 ( 0.375 0.000 6.701) 6.711 30.378 ( -6.324 0.000 6.581) 9.127 30.537 ( 2.148 0.000 -6.728) 7.062 30.577 ( -1.969 0.000 -7.592) 7.843 31.292 ( 9.078 0.000 12.020) 15.063 31.469 ( -8.993 0.000 15.438) 17.867 32.619 ( 9.949 0.000 -15.160) 18.133 32.791 ( -7.749 0.000 -14.848) 16.748 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 13.237 33.587) 36.102 2.725 ( 0.000 -1.790 37.871) 37.913 3.614 ( 0.000 3.760 -8.282) 9.096 3.669 ( 0.000 16.285 17.776) 24.108 3.995 ( 0.000 3.407 19.263) 19.562 4.150 ( 0.000 5.296 13.671) 14.661 4.366 ( 0.000 6.717 6.494) 9.343 4.416 ( 0.000 15.459 29.691) 33.475 4.716 ( 0.000 18.826 11.758) 22.196 4.993 ( 0.000 -6.692 -10.767) 12.677 5.319 ( 0.000 17.744 -10.560) 20.649 5.330 ( 0.000 -3.137 -20.566) 20.804 5.545 ( 0.000 -12.054 -15.813) 19.883 5.631 ( 0.000 -3.981 -10.338) 11.078 5.753 ( 0.000 9.572 4.914) 10.759 6.005 ( 0.000 -3.435 -8.363) 9.041 6.075 ( 0.000 -4.665 -6.829) 8.270 6.091 ( 0.000 0.651 -2.081) 2.181 6.500 ( 0.000 15.354 -16.672) 22.665 6.715 ( 0.000 4.945 -7.720) 9.168 6.933 ( 0.000 -1.940 -1.452) 2.423 7.133 ( 0.000 6.612 -3.549) 7.504 7.583 ( 0.000 2.230 -7.607) 7.927 8.071 ( 0.000 -2.913 -20.289) 20.497 9.162 ( 0.000 -1.462 -8.264) 8.393 9.259 ( 0.000 -3.894 -11.302) 11.954 9.627 ( 0.000 10.486 -8.306) 13.377 9.655 ( 0.000 6.405 -3.730) 7.412 9.705 ( 0.000 2.220 -4.947) 5.422 9.931 ( 0.000 -5.869 -3.811) 6.997 10.671 ( 0.000 -3.125 3.638) 4.796 10.896 ( 0.000 -11.603 2.379) 11.845 11.248 ( 0.000 -8.667 -7.416) 11.407 11.251 ( 0.000 7.114 0.071) 7.115 11.500 ( 0.000 -9.414 11.257) 14.675 11.533 ( 0.000 -1.418 -6.689) 6.838 11.722 ( 0.000 -12.999 -8.778) 15.685 11.750 ( 0.000 -9.115 2.655) 9.493 12.079 ( 0.000 -2.971 -0.166) 2.976 12.115 ( 0.000 15.769 3.812) 16.223 12.311 ( 0.000 -0.396 -0.551) 0.678 12.322 ( 0.000 9.285 -5.705) 10.898 12.540 ( 0.000 -10.780 6.662) 12.673 12.547 ( 0.000 -14.186 0.014) 14.186 13.063 ( 0.000 2.077 7.539) 7.819 13.077 ( 0.000 4.210 2.378) 4.835 13.363 ( 0.000 4.119 -5.039) 6.508 13.667 ( 0.000 3.526 -0.698) 3.594 13.686 ( 0.000 -1.420 1.626) 2.159 13.704 ( 0.000 -0.032 4.681) 4.681 13.967 ( 0.000 2.966 -2.231) 3.711 14.028 ( 0.000 -3.108 -7.665) 8.271 14.214 ( 0.000 2.412 0.553) 2.474 14.289 ( 0.000 1.013 1.713) 1.990 14.507 ( 0.000 3.615 2.880) 4.622 14.676 ( 0.000 0.294 1.027) 1.068 14.689 ( 0.000 1.512 1.599) 2.201 14.761 ( 0.000 -3.421 9.475) 10.073 14.813 ( 0.000 2.666 8.521) 8.928 15.090 ( 0.000 -7.820 2.633) 8.251 15.336 ( 0.000 -15.219 -4.715) 15.932 15.389 ( 0.000 -10.699 -2.108) 10.905 15.522 ( 0.000 3.276 7.190) 7.902 15.544 ( 0.000 6.355 1.218) 6.470 15.863 ( 0.000 9.256 -1.045) 9.315 16.244 ( 0.000 2.715 3.426) 4.371 16.336 ( 0.000 19.525 -1.360) 19.572 16.617 ( 0.000 -4.078 1.338) 4.292 17.516 ( 0.000 -1.424 5.093) 5.288 17.519 ( 0.000 -1.244 4.113) 4.297 17.676 ( 0.000 -14.949 5.429) 15.904 17.687 ( 0.000 -6.969 6.120) 9.275 18.030 ( 0.000 -6.082 1.992) 6.400 18.093 ( 0.000 -2.409 11.115) 11.373 18.230 ( 0.000 0.431 0.539) 0.690 18.380 ( 0.000 4.433 -1.266) 4.610 18.619 ( 0.000 2.382 8.370) 8.702 18.712 ( 0.000 -4.778 3.018) 5.652 18.890 ( 0.000 10.902 4.221) 11.691 18.895 ( 0.000 0.722 -12.026) 12.048 27.547 ( 0.000 1.175 2.857) 3.090 27.574 ( 0.000 0.343 3.065) 3.084 27.579 ( 0.000 0.399 1.062) 1.134 27.771 ( 0.000 -0.017 0.370) 0.371 29.838 ( 0.000 -1.203 5.076) 5.216 29.979 ( 0.000 1.176 6.628) 6.732 30.074 ( 0.000 1.982 4.576) 4.986 30.132 ( 0.000 -2.715 2.176) 3.479 30.315 ( 0.000 -11.685 -0.827) 11.714 30.417 ( 0.000 6.939 8.732) 11.154 30.582 ( 0.000 6.386 -3.889) 7.477 30.837 ( 0.000 9.312 2.405) 9.618 31.074 ( 0.000 0.206 2.459) 2.467 31.703 ( 0.000 2.291 18.362) 18.505 32.291 ( 0.000 -4.355 -14.696) 15.328 32.887 ( 0.000 -5.808 -13.081) 14.313 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 16.293 8.832 31.121) 36.221 2.816 ( 9.627 1.065 34.951) 36.269 3.588 ( -4.207 8.358 9.169) 13.100 3.612 ( -5.881 12.663 13.749) 19.595 4.044 ( 6.050 -1.689 10.085) 11.881 4.231 ( 7.304 7.499 15.713) 18.881 4.343 ( 1.435 2.774 4.388) 5.386 4.572 ( 12.596 15.277 23.016) 30.361 4.826 ( 10.292 17.476 11.166) 23.152 4.929 ( -5.113 4.405 -6.751) 9.546 5.117 ( -11.481 -1.385 -15.992) 19.735 5.416 ( -2.539 14.596 -10.797) 18.333 5.518 ( -4.083 -8.243 -12.386) 15.429 5.601 ( -3.041 -5.329 -6.885) 9.222 5.715 ( 3.873 2.498 -1.370) 4.808 6.021 ( -5.868 -2.607 3.539) 7.332 6.108 ( 4.543 -11.438 -11.991) 17.182 6.141 ( 6.320 5.744 -10.694) 13.685 6.421 ( -8.532 12.323 -12.975) 19.825 6.693 ( -2.499 5.353 -6.099) 8.491 6.825 ( -8.726 1.244 -4.638) 9.960 7.043 ( -9.550 8.169 -4.192) 13.248 7.621 ( 5.052 0.035 -10.127) 11.317 8.049 ( -2.636 -1.992 -20.641) 20.904 9.169 ( 1.063 -0.431 -7.332) 7.421 9.251 ( -0.784 -0.888 -10.465) 10.531 9.573 ( -4.368 3.542 -5.259) 7.699 9.589 ( -3.047 5.432 -8.118) 10.232 9.781 ( 3.731 6.784 -3.889) 8.664 9.889 ( -4.141 -1.884 -3.567) 5.781 10.532 ( -10.364 1.203 2.075) 10.638 10.862 ( -4.885 -8.888 -2.900) 10.548 11.185 ( -0.460 -0.367 3.463) 3.513 11.359 ( 4.009 -5.705 -7.805) 10.466 11.492 ( 2.245 -6.656 9.121) 11.512 11.665 ( 5.433 -1.836 -1.673) 5.974 11.758 ( 4.396 -14.191 -8.851) 17.293 11.793 ( 5.762 -7.604 3.317) 10.101 12.017 ( -3.902 -1.926 -5.605) 7.096 12.094 ( -2.329 0.128 -0.118) 2.336 12.336 ( 2.083 7.012 0.101) 7.315 12.375 ( 3.461 4.219 0.101) 5.457 12.491 ( 0.359 -12.668 4.185) 13.347 12.702 ( 11.109 -8.660 6.095) 15.348 13.026 ( -1.033 5.323 5.766) 7.915 13.170 ( 4.581 1.809 3.533) 6.061 13.318 ( -2.306 -1.327 -2.885) 3.925 13.603 ( -7.570 0.501 2.286) 7.924 13.683 ( 0.662 3.668 0.933) 3.843 13.755 ( 3.231 -0.113 3.444) 4.723 13.891 ( -2.069 4.744 -2.350) 5.684 14.126 ( 4.596 -1.580 -4.340) 6.516 14.158 ( -2.904 2.627 0.006) 3.915 14.300 ( -3.200 -1.480 4.807) 5.962 14.464 ( -3.737 5.727 1.014) 6.913 14.552 ( -5.554 -2.446 2.991) 6.766 14.590 ( -9.147 1.095 5.916) 10.948 14.661 ( -3.204 2.831 -0.262) 4.284 14.978 ( 7.968 -4.844 6.611) 11.431 15.153 ( 5.374 -4.177 1.820) 7.046 15.295 ( -4.205 -6.912 -0.147) 8.092 15.427 ( 3.599 -9.745 -4.790) 11.439 15.508 ( -2.038 2.662 6.499) 7.313 15.561 ( 1.358 3.281 -2.789) 4.515 15.852 ( -1.009 10.626 0.465) 10.684 16.142 ( -7.266 11.497 1.810) 13.720 16.439 ( 8.301 4.455 5.712) 11.017 16.762 ( 10.931 -5.556 -0.644) 12.278 17.503 ( -0.589 -1.246 5.741) 5.904 17.542 ( 2.149 -0.847 4.673) 5.213 17.672 ( -0.488 -14.932 5.188) 15.815 17.685 ( -0.293 -7.634 5.346) 9.325 17.974 ( -1.712 -3.111 4.356) 5.620 18.175 ( 5.023 -3.778 2.808) 6.884 18.254 ( 2.154 1.790 1.889) 3.378 18.380 ( 0.245 4.056 0.066) 4.064 18.553 ( -7.503 0.200 3.025) 8.093 18.667 ( -6.831 3.148 5.140) 9.110 18.789 ( 0.618 1.738 -0.290) 1.867 18.980 ( 1.271 4.222 -4.188) 6.081 27.540 ( -0.369 1.024 2.510) 2.736 27.560 ( -0.723 0.823 3.220) 3.402 27.611 ( 2.278 0.236 1.101) 2.541 27.755 ( -1.571 0.008 0.396) 1.621 29.853 ( 1.511 -0.932 5.224) 5.517 29.968 ( -1.113 1.171 6.338) 6.541 30.077 ( 0.747 -0.840 3.956) 4.113 30.158 ( 1.847 -1.070 3.820) 4.376 30.283 ( -2.446 -8.079 1.680) 8.607 30.386 ( -2.411 2.876 5.960) 7.043 30.623 ( 2.990 8.717 -2.822) 9.638 30.809 ( -2.932 10.194 0.557) 10.622 31.124 ( 5.589 -0.843 5.636) 7.982 31.635 ( -6.541 2.056 15.878) 17.295 32.379 ( 8.097 -4.986 -14.417) 17.270 32.844 ( -4.362 -5.913 -13.405) 15.286 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 12.247 -0.137 29.837) 32.253 3.090 ( 10.885 5.933 23.849) 26.879 3.439 ( -7.650 12.781 27.082) 30.908 3.479 ( -7.568 10.534 19.322) 23.272 4.188 ( 7.399 -5.869 0.013) 9.444 4.288 ( -2.121 -1.480 3.156) 4.080 4.533 ( 16.733 1.329 5.157) 17.560 4.800 ( 5.090 12.780 0.742) 13.776 4.850 ( -3.530 11.609 -3.990) 12.773 4.876 ( -9.913 6.354 0.161) 11.776 5.065 ( 12.270 17.361 7.549) 22.560 5.279 ( -9.533 14.900 0.760) 17.705 5.444 ( 2.582 0.067 7.379) 7.819 5.603 ( -3.748 -6.415 9.203) 11.827 5.809 ( 2.866 -0.641 -6.595) 7.219 5.888 ( -1.946 -10.504 -16.227) 19.428 6.092 ( -2.617 -8.008 -18.496) 20.324 6.172 ( -14.019 3.110 -10.734) 17.928 6.362 ( 13.657 7.697 -5.849) 16.732 6.602 ( -8.785 8.511 -5.529) 13.423 6.729 ( 0.192 5.872 -7.983) 9.912 6.824 ( -9.945 5.922 -6.830) 13.439 7.777 ( 10.030 -0.914 -15.389) 18.392 7.954 ( -7.532 -1.129 -19.522) 20.955 9.205 ( 2.247 2.006 -6.439) 7.109 9.236 ( -0.918 2.562 -8.326) 8.760 9.526 ( -0.344 0.628 -6.097) 6.138 9.543 ( -1.624 1.806 -7.582) 7.961 9.791 ( -1.531 7.214 -2.722) 7.861 9.813 ( -3.278 7.535 -1.577) 8.367 10.454 ( 4.623 1.899 -4.526) 6.742 10.660 ( -13.917 -0.725 -7.209) 15.690 11.264 ( 7.271 -5.659 6.417) 11.228 11.378 ( -3.071 -8.376 1.591) 9.062 11.569 ( 5.763 -4.138 3.863) 8.078 11.676 ( -4.008 -3.538 1.265) 5.493 11.834 ( 3.701 -11.851 -3.445) 12.885 11.892 ( -0.143 -11.696 -2.924) 12.057 11.970 ( 2.065 -6.966 -8.238) 10.984 12.048 ( -3.363 -4.215 -5.370) 7.610 12.376 ( 2.067 5.376 2.139) 6.144 12.407 ( -0.589 2.625 1.920) 3.305 12.623 ( 13.177 -4.318 6.318) 15.238 12.838 ( -3.579 -2.103 3.183) 5.231 13.079 ( 8.311 1.435 6.718) 10.783 13.175 ( -0.608 -8.674 5.261) 10.163 13.326 ( 0.218 -6.894 1.955) 7.169 13.412 ( -10.462 1.885 2.701) 10.969 13.700 ( 2.150 6.064 0.908) 6.497 13.762 ( -2.638 7.217 -3.961) 8.644 13.945 ( 6.395 5.174 6.689) 10.602 14.076 ( -6.223 1.629 6.517) 9.157 14.184 ( 1.114 -1.757 -2.021) 2.901 14.208 ( -2.763 -1.214 0.135) 3.021 14.401 ( -0.543 3.826 2.406) 4.552 14.448 ( -5.069 0.622 2.600) 5.731 14.554 ( 2.448 0.024 0.790) 2.572 14.602 ( -2.663 2.392 0.102) 3.581 15.098 ( 5.159 -7.281 -0.236) 8.927 15.190 ( -4.265 -8.628 -2.932) 10.061 15.284 ( 5.750 3.884 6.713) 9.655 15.404 ( -5.991 3.828 4.651) 8.495 15.516 ( 3.154 -4.424 -4.793) 7.245 15.567 ( -1.463 0.343 -5.984) 6.170 15.866 ( 3.834 11.333 1.923) 12.117 15.990 ( -8.082 11.793 1.683) 14.395 16.649 ( 12.578 -1.913 10.629) 16.579 16.841 ( -4.707 -6.441 6.787) 10.474 17.537 ( 3.776 -1.915 3.836) 5.714 17.578 ( 0.606 -1.326 4.580) 4.806 17.657 ( -0.692 -14.816 5.071) 15.674 17.668 ( -1.396 -9.926 4.721) 11.079 18.038 ( 8.979 -0.373 -1.990) 9.204 18.229 ( -4.634 0.794 -3.945) 6.137 18.271 ( 1.788 -1.612 -2.215) 3.271 18.359 ( -8.517 1.401 -2.089) 8.881 18.425 ( 4.772 3.855 7.805) 9.927 18.538 ( -6.339 4.802 9.917) 12.712 18.856 ( 4.960 1.194 -0.155) 5.104 18.949 ( -3.977 3.000 -2.403) 5.531 27.539 ( 0.189 1.063 2.673) 2.882 27.547 ( -0.638 1.064 3.067) 3.308 27.661 ( 2.827 0.174 0.764) 2.933 27.714 ( -2.606 0.082 0.516) 2.658 29.892 ( 2.382 -0.052 5.522) 6.014 29.937 ( -2.127 0.892 5.871) 6.308 30.108 ( 2.372 -4.224 3.862) 6.196 30.158 ( -2.227 -4.912 4.115) 6.784 30.276 ( 2.184 -0.067 5.038) 5.491 30.333 ( -3.126 1.656 5.681) 6.693 30.677 ( 2.875 9.733 -2.500) 10.452 30.740 ( -3.731 10.254 -1.664) 11.038 31.280 ( 9.923 -0.379 9.452) 13.709 31.474 ( -9.811 1.096 12.440) 15.881 32.557 ( 9.630 -5.836 -14.512) 18.368 32.726 ( -7.769 -6.063 -14.114) 17.214 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.000 7.675 27.919) 28.955 2.962 ( 0.000 23.254 26.872) 35.537 3.688 ( 0.000 4.910 -11.924) 12.895 4.020 ( 0.000 12.694 15.463) 20.006 4.135 ( 0.000 10.020 15.253) 18.250 4.193 ( 0.000 1.850 5.896) 6.179 4.410 ( 0.000 -3.450 -1.975) 3.975 4.804 ( 0.000 -9.401 -10.027) 13.744 4.963 ( 0.000 26.616 25.378) 36.776 5.114 ( 0.000 13.325 17.103) 21.681 5.304 ( 0.000 3.756 -7.226) 8.144 5.402 ( 0.000 5.617 -18.204) 19.051 5.557 ( 0.000 -3.467 -17.932) 18.264 5.640 ( 0.000 -14.373 1.105) 14.416 5.741 ( 0.000 14.062 -5.534) 15.112 6.025 ( 0.000 13.887 -3.644) 14.357 6.138 ( 0.000 1.594 3.962) 4.271 6.255 ( 0.000 15.316 4.758) 16.038 6.697 ( 0.000 -2.300 -5.682) 6.130 6.799 ( 0.000 12.043 -11.982) 16.988 6.972 ( 0.000 2.258 -21.269) 21.388 7.199 ( 0.000 -2.018 -9.033) 9.256 7.671 ( 0.000 6.123 -2.066) 6.462 7.972 ( 0.000 -5.836 -16.111) 17.135 9.183 ( 0.000 -2.582 -10.565) 10.876 9.227 ( 0.000 6.988 -9.050) 11.434 9.617 ( 0.000 -2.910 -2.952) 4.146 9.712 ( 0.000 -3.234 -2.289) 3.962 9.945 ( 0.000 10.907 -1.789) 11.053 10.031 ( 0.000 20.799 -8.019) 22.292 10.580 ( 0.000 -5.657 -0.259) 5.662 10.661 ( 0.000 -10.006 -1.369) 10.099 11.054 ( 0.000 -10.105 -1.513) 10.218 11.278 ( 0.000 -9.220 -0.550) 9.237 11.285 ( 0.000 -6.504 -10.897) 12.690 11.426 ( 0.000 -15.571 0.646) 15.585 11.540 ( 0.000 -6.104 -0.636) 6.137 11.641 ( 0.000 10.410 0.903) 10.449 12.116 ( 0.000 -6.254 3.794) 7.315 12.155 ( 0.000 -9.753 12.802) 16.094 12.223 ( 0.000 -10.661 0.644) 10.680 12.275 ( 0.000 -6.298 2.812) 6.897 12.414 ( 0.000 9.536 0.763) 9.566 12.557 ( 0.000 6.262 4.125) 7.499 13.013 ( 0.000 -6.163 8.130) 10.202 13.030 ( 0.000 -5.616 5.641) 7.960 13.530 ( 0.000 9.361 -1.114) 9.427 13.596 ( 0.000 -7.031 -1.683) 7.230 13.669 ( 0.000 0.745 -7.256) 7.294 13.711 ( 0.000 -0.757 2.839) 2.938 14.076 ( 0.000 5.249 -6.330) 8.223 14.119 ( 0.000 8.546 -12.499) 15.141 14.256 ( 0.000 1.338 3.301) 3.562 14.270 ( 0.000 0.459 9.570) 9.581 14.621 ( 0.000 3.818 -2.350) 4.483 14.638 ( 0.000 -6.842 6.854) 9.685 14.675 ( 0.000 0.841 5.420) 5.484 14.725 ( 0.000 1.805 3.834) 4.238 14.885 ( 0.000 3.523 4.908) 6.042 14.987 ( 0.000 -1.874 -5.162) 5.492 15.093 ( 0.000 -8.967 -1.676) 9.122 15.160 ( 0.000 -10.633 -3.983) 11.355 15.608 ( 0.000 4.488 7.541) 8.776 15.649 ( 0.000 3.587 5.789) 6.810 16.041 ( 0.000 7.211 0.317) 7.218 16.317 ( 0.000 4.643 3.547) 5.843 16.395 ( 0.000 -7.292 7.563) 10.506 16.721 ( 0.000 6.337 0.902) 6.401 17.318 ( 0.000 -15.143 8.129) 17.187 17.455 ( 0.000 -4.585 0.654) 4.632 17.553 ( 0.000 2.126 0.735) 2.249 17.568 ( 0.000 -2.190 -0.396) 2.225 17.931 ( 0.000 -1.938 1.665) 2.555 18.025 ( 0.000 -3.821 7.505) 8.422 18.309 ( 0.000 4.631 4.124) 6.201 18.444 ( 0.000 1.066 -1.222) 1.622 18.598 ( 0.000 -5.215 0.917) 5.295 18.666 ( 0.000 2.361 3.756) 4.436 18.913 ( 0.000 0.781 -3.692) 3.774 19.047 ( 0.000 4.073 3.159) 5.154 27.573 ( 0.000 1.163 2.235) 2.520 27.591 ( 0.000 0.630 1.397) 1.532 27.599 ( 0.000 2.226 2.867) 3.630 27.767 ( 0.000 -0.387 0.421) 0.572 29.825 ( 0.000 -0.093 2.555) 2.557 30.004 ( 0.000 1.108 7.383) 7.465 30.076 ( 0.000 -4.345 0.381) 4.361 30.110 ( 0.000 -6.271 2.552) 6.771 30.121 ( 0.000 3.078 5.220) 6.060 30.583 ( 0.000 8.266 11.419) 14.097 30.662 ( 0.000 -0.974 6.097) 6.174 30.898 ( 0.000 -0.453 5.381) 5.400 31.201 ( 0.000 10.754 -4.847) 11.796 31.803 ( 0.000 7.856 8.872) 11.851 32.162 ( 0.000 -8.098 -15.202) 17.225 32.726 ( 0.000 -9.498 -11.117) 14.622 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 8.485 7.093 27.769) 29.891 3.120 ( 13.166 21.124 23.928) 34.527 3.711 ( 1.214 6.216 -5.306) 8.263 3.943 ( -10.534 14.428 21.233) 27.749 4.072 ( -1.028 4.491 8.192) 9.399 4.291 ( 8.993 0.376 5.810) 10.713 4.381 ( -2.533 -1.864 0.690) 3.220 4.797 ( -0.602 -9.722 -13.478) 16.629 5.066 ( 8.326 22.910 22.768) 33.355 5.126 ( -1.079 0.959 4.313) 4.548 5.254 ( -0.274 11.796 0.220) 11.801 5.418 ( -3.036 5.685 -10.613) 12.417 5.491 ( 2.578 2.468 -14.473) 14.906 5.666 ( 1.084 -8.299 1.414) 8.488 5.841 ( 5.223 14.781 -15.245) 21.867 5.982 ( -3.273 8.698 -2.649) 9.664 6.133 ( -5.445 7.672 5.991) 11.153 6.219 ( 0.706 4.615 8.905) 10.054 6.587 ( -10.918 4.015 -10.520) 15.684 6.765 ( -3.239 6.262 -10.676) 12.794 6.919 ( -2.843 3.402 -17.217) 17.778 7.216 ( -2.748 6.336 -12.036) 13.876 7.618 ( -0.535 0.215 -3.344) 3.393 7.983 ( -0.613 -4.087 -15.160) 15.714 9.218 ( 3.341 1.975 -9.186) 9.972 9.254 ( 2.830 4.634 -8.250) 9.877 9.582 ( -2.388 0.997 -4.982) 5.614 9.682 ( -3.039 -0.333 -4.710) 5.615 9.969 ( 2.162 10.063 -1.105) 10.352 10.026 ( -0.463 17.413 -6.546) 18.608 10.526 ( -5.008 -2.133 -1.205) 5.575 10.668 ( -0.022 -8.939 -3.128) 9.471 11.062 ( 1.022 -9.811 0.273) 9.868 11.242 ( -3.836 -8.918 -8.134) 12.665 11.331 ( 5.364 -6.976 1.638) 8.950 11.505 ( 7.281 -12.974 -0.626) 14.890 11.543 ( 1.434 -7.309 -1.876) 7.681 11.704 ( 2.174 2.994 0.725) 3.770 11.976 ( -11.552 -6.411 1.189) 13.265 12.108 ( -8.549 -4.277 -0.090) 9.560 12.235 ( 7.947 -5.769 9.194) 13.453 12.279 ( 3.827 -10.045 4.293) 11.575 12.460 ( -0.502 4.244 9.015) 9.977 12.653 ( 9.361 1.849 2.192) 9.791 12.989 ( 0.238 -6.849 8.027) 10.555 13.108 ( 4.666 -6.399 3.054) 8.488 13.378 ( -12.537 4.546 -3.815) 13.871 13.609 ( -3.372 0.070 1.321) 3.622 13.687 ( 1.789 0.973 -1.728) 2.671 13.752 ( 3.431 -2.096 1.993) 4.487 14.026 ( -0.293 5.083 -6.703) 8.417 14.153 ( -0.607 3.070 -5.862) 6.645 14.244 ( -0.952 1.849 2.270) 3.078 14.300 ( 1.671 5.164 4.624) 7.130 14.465 ( -8.329 -4.169 2.658) 9.685 14.523 ( -5.314 0.298 1.677) 5.580 14.669 ( -3.478 5.733 2.904) 7.307 14.730 ( -2.034 3.495 1.175) 4.211 14.903 ( 1.856 -1.656 2.738) 3.699 15.035 ( 0.847 -6.737 -5.189) 8.546 15.212 ( 10.350 -6.607 -1.225) 12.340 15.235 ( 7.739 -3.492 0.223) 8.493 15.582 ( -2.939 3.692 6.346) 7.908 15.638 ( -1.114 3.466 0.800) 3.728 16.038 ( -0.288 6.998 3.622) 7.885 16.323 ( -0.878 6.208 5.358) 8.247 16.448 ( 4.913 -4.868 8.811) 11.201 16.685 ( -1.893 -1.480 2.598) 3.538 17.329 ( 1.075 -13.882 7.103) 15.630 17.450 ( -0.487 -4.142 2.473) 4.849 17.531 ( -1.000 -3.168 0.072) 3.323 17.607 ( 1.644 2.128 -1.624) 3.142 17.907 ( 0.857 -2.041 3.898) 4.482 18.116 ( 7.027 -2.007 1.787) 7.524 18.331 ( 0.879 3.754 2.814) 4.773 18.431 ( -0.570 0.600 0.980) 1.283 18.531 ( -6.671 -1.961 -0.803) 6.999 18.684 ( 0.880 1.427 5.980) 6.211 18.846 ( -3.800 2.078 -0.752) 4.396 19.054 ( -0.944 1.861 -0.046) 2.087 27.566 ( -0.201 1.386 2.201) 2.609 27.593 ( -0.497 2.323 2.840) 3.703 27.618 ( 2.105 0.373 1.305) 2.505 27.753 ( -1.474 -0.319 0.477) 1.582 29.840 ( 1.668 -0.214 3.017) 3.453 29.987 ( -1.802 0.343 6.513) 6.766 30.030 ( -1.739 -3.845 1.724) 4.558 30.092 ( -1.866 -4.385 4.392) 6.481 30.215 ( 6.330 2.195 4.560) 8.104 30.490 ( -4.761 5.217 8.119) 10.761 30.769 ( 5.309 3.200 7.889) 10.033 30.892 ( -0.614 -1.132 5.954) 6.091 31.218 ( 2.999 10.555 -4.148) 11.731 31.731 ( -6.981 7.768 6.451) 12.276 32.236 ( 6.865 -8.729 -13.875) 17.772 32.680 ( -4.642 -9.688 -11.477) 15.720 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 15.058 6.811 24.061) 29.189 3.295 ( -0.492 13.386 18.718) 23.018 3.705 ( -1.688 11.315 11.857) 16.476 3.717 ( -7.224 13.920 25.021) 29.530 4.132 ( 6.128 -0.972 2.105) 6.552 4.270 ( -7.042 -2.445 4.630) 8.775 4.541 ( 13.621 0.200 -0.049) 13.622 4.747 ( -6.329 -6.965 -10.921) 14.417 5.073 ( 0.034 1.995 -7.016) 7.295 5.143 ( -4.369 3.063 -10.356) 11.650 5.348 ( 9.304 7.516 10.685) 16.038 5.429 ( 5.224 6.621 4.752) 9.680 5.617 ( 3.509 8.980 0.368) 9.648 5.648 ( -1.198 11.516 2.653) 11.878 5.874 ( 0.668 9.376 -14.215) 17.042 5.950 ( -3.951 2.257 -12.543) 13.343 5.964 ( -1.928 15.341 9.672) 18.238 6.141 ( -14.322 -2.346 8.272) 16.705 6.502 ( 7.701 6.553 -10.026) 14.239 6.676 ( -6.937 1.829 -7.745) 10.557 6.915 ( 2.603 8.508 -15.315) 17.712 7.044 ( -10.916 12.829 -13.768) 21.756 7.735 ( 9.930 -3.352 -8.518) 13.505 7.909 ( -7.090 -3.342 -12.704) 14.928 9.290 ( 3.384 5.774 -6.622) 9.415 9.311 ( 1.730 4.769 -7.563) 9.107 9.563 ( 0.864 4.398 -7.480) 8.720 9.613 ( -3.700 3.640 -7.612) 9.214 9.996 ( 0.940 12.249 -1.488) 12.375 10.021 ( -0.855 12.703 -1.739) 12.850 10.477 ( 2.589 0.136 -5.826) 6.377 10.603 ( -7.288 -4.186 -6.823) 10.826 11.102 ( 3.358 -10.274 1.933) 10.981 11.172 ( -3.449 -11.278 -1.770) 11.925 11.459 ( 7.228 -5.728 3.136) 9.741 11.567 ( -1.368 -6.729 -0.204) 6.869 11.628 ( 3.014 -9.430 0.468) 9.911 11.683 ( -2.310 -4.771 0.008) 5.300 11.821 ( -0.247 -9.682 -2.139) 9.919 11.939 ( -8.666 -8.098 -2.415) 12.104 12.329 ( 3.360 -5.281 8.840) 10.832 12.399 ( -3.787 -2.397 9.086) 10.131 12.547 ( 19.080 -3.571 5.236) 20.105 12.802 ( 0.410 -2.249 4.265) 4.839 12.993 ( -0.243 -8.525 4.234) 9.522 13.100 ( -11.396 1.308 0.429) 11.479 13.230 ( 8.207 -3.795 1.082) 9.106 13.445 ( -11.975 0.972 0.133) 12.015 13.735 ( 3.387 0.697 2.721) 4.400 13.791 ( -0.857 -2.169 2.096) 3.136 14.063 ( 2.670 -0.102 -4.442) 5.184 14.116 ( -2.178 -3.796 -1.551) 4.643 14.232 ( -0.088 8.380 2.099) 8.639 14.256 ( -2.724 10.080 2.350) 10.703 14.450 ( 2.462 1.320 -0.107) 2.796 14.474 ( -0.920 3.365 -0.804) 3.580 14.602 ( -0.514 3.129 2.653) 4.135 14.664 ( -4.762 3.388 2.405) 6.319 14.953 ( 3.123 -6.118 -2.079) 7.176 15.011 ( -2.617 -8.407 -5.038) 10.144 15.369 ( 7.336 3.319 4.743) 9.345 15.431 ( 9.779 -2.842 -3.910) 10.908 15.497 ( -5.804 3.801 4.625) 8.338 15.581 ( -5.549 0.851 -3.844) 6.804 16.074 ( 5.245 8.201 6.388) 11.644 16.221 ( -8.541 9.050 5.773) 13.718 16.575 ( 7.162 -5.125 11.025) 14.110 16.667 ( -1.860 -9.232 9.202) 13.167 17.360 ( 2.342 -11.153 4.592) 12.286 17.417 ( -3.087 -6.899 3.400) 8.288 17.539 ( 2.159 -2.280 -0.144) 3.143 17.593 ( -2.679 -0.449 -0.742) 2.816 18.021 ( 10.340 -0.159 -0.321) 10.346 18.235 ( -8.170 -0.524 -2.429) 8.539 18.258 ( 4.934 -0.169 -2.000) 5.326 18.384 ( -6.676 0.392 -1.732) 6.908 18.495 ( 5.788 3.722 7.680) 10.312 18.621 ( -6.477 3.917 9.250) 11.952 18.876 ( 5.734 0.065 -1.232) 5.865 18.992 ( -5.304 0.466 -1.313) 5.484 27.569 ( 0.458 1.828 2.398) 3.050 27.581 ( -0.710 2.173 2.639) 3.491 27.664 ( 2.652 0.108 0.971) 2.826 27.714 ( -2.441 -0.136 0.663) 2.533 29.887 ( 2.997 -0.361 3.896) 4.929 29.944 ( -2.679 -0.502 4.688) 5.423 30.018 ( 0.372 -4.116 3.714) 5.556 30.046 ( -2.391 -4.283 4.970) 6.983 30.333 ( 5.522 4.597 6.354) 9.592 30.418 ( -3.514 5.499 7.153) 9.683 30.828 ( 1.838 3.146 5.675) 6.744 30.866 ( -2.092 0.459 5.321) 5.735 31.349 ( 10.072 8.701 -0.090) 13.310 31.557 ( -10.713 7.859 3.443) 13.725 32.393 ( 8.914 -9.775 -13.026) 18.566 32.557 ( -7.866 -9.999 -12.297) 17.694 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 0.000 17.201 13.067) 21.601 3.477 ( 0.000 24.568 17.056) 29.908 3.833 ( 0.000 8.418 -12.786) 15.308 3.938 ( 0.000 -18.981 -6.279) 19.992 4.236 ( 0.000 1.692 9.338) 9.490 4.273 ( 0.000 8.240 4.165) 9.233 4.485 ( 0.000 -0.261 22.869) 22.870 4.677 ( 0.000 4.276 -10.469) 11.309 4.973 ( 0.000 -14.662 -0.172) 14.663 5.096 ( 0.000 -14.905 -1.667) 14.998 5.463 ( 0.000 3.393 -10.872) 11.389 5.565 ( 0.000 11.096 -3.317) 11.581 5.601 ( 0.000 4.426 18.677) 19.195 5.773 ( 0.000 16.662 -5.890) 17.672 6.025 ( 0.000 17.131 22.700) 28.439 6.243 ( 0.000 10.872 -3.185) 11.329 6.286 ( 0.000 11.365 -9.201) 14.623 6.557 ( 0.000 9.367 5.204) 10.716 6.700 ( 0.000 0.583 -18.729) 18.738 6.908 ( 0.000 -5.300 -9.765) 11.111 6.973 ( 0.000 -0.056 -15.627) 15.627 7.085 ( 0.000 -4.741 -5.223) 7.054 7.783 ( 0.000 3.783 -8.441) 9.250 7.873 ( 0.000 -3.296 -17.548) 17.854 9.204 ( 0.000 5.523 -6.438) 8.482 9.393 ( 0.000 7.887 -6.569) 10.264 9.548 ( 0.000 -4.315 -3.287) 5.424 9.637 ( 0.000 -3.454 -3.638) 5.017 10.280 ( 0.000 20.299 2.504) 20.453 10.456 ( 0.000 12.916 -3.277) 13.325 10.459 ( 0.000 -5.036 -5.538) 7.485 10.520 ( 0.000 0.619 -9.360) 9.381 10.831 ( 0.000 -9.776 -1.498) 9.890 10.987 ( 0.000 -11.287 -2.959) 11.668 11.235 ( 0.000 4.277 -2.841) 5.134 11.251 ( 0.000 -11.100 -2.559) 11.391 11.401 ( 0.000 -8.844 4.252) 9.813 11.615 ( 0.000 -16.905 4.164) 17.411 11.946 ( 0.000 2.954 3.017) 4.222 11.995 ( 0.000 -10.539 -0.460) 10.549 12.066 ( 0.000 1.219 9.633) 9.710 12.328 ( 0.000 6.051 5.258) 8.016 12.487 ( 0.000 -1.301 -1.838) 2.251 12.627 ( 0.000 -4.161 2.776) 5.002 12.868 ( 0.000 -4.310 14.244) 14.882 12.926 ( 0.000 -3.849 8.022) 8.898 13.508 ( 0.000 0.077 -3.040) 3.041 13.652 ( 0.000 1.084 1.690) 2.008 13.706 ( 0.000 0.791 1.708) 1.882 13.718 ( 0.000 3.208 -9.290) 9.829 14.121 ( 0.000 -2.488 0.193) 2.495 14.148 ( 0.000 -2.713 -3.719) 4.604 14.254 ( 0.000 2.420 -0.600) 2.493 14.452 ( 0.000 12.962 1.295) 13.026 14.572 ( 0.000 -6.253 8.656) 10.678 14.607 ( 0.000 4.035 2.769) 4.894 14.740 ( 0.000 2.732 -6.047) 6.636 14.756 ( 0.000 0.998 -1.338) 1.669 14.860 ( 0.000 -6.625 -7.145) 9.744 14.910 ( 0.000 -7.693 0.204) 7.696 15.011 ( 0.000 1.507 -3.021) 3.376 15.051 ( 0.000 0.500 5.742) 5.764 15.683 ( 0.000 2.372 8.717) 9.034 15.693 ( 0.000 0.994 9.615) 9.666 16.133 ( 0.000 2.207 3.265) 3.941 16.256 ( 0.000 -5.526 6.020) 8.172 16.435 ( 0.000 6.047 1.389) 6.204 16.697 ( 0.000 -6.242 6.926) 9.323 17.110 ( 0.000 -3.393 6.300) 7.156 17.325 ( 0.000 -7.564 -1.479) 7.708 17.628 ( 0.000 5.556 -5.819) 8.045 17.629 ( 0.000 4.567 -0.800) 4.637 17.909 ( 0.000 -1.307 2.909) 3.189 17.946 ( 0.000 -3.716 5.105) 6.314 18.374 ( 0.000 1.326 6.430) 6.565 18.430 ( 0.000 -1.762 0.293) 1.786 18.556 ( 0.000 2.005 -3.246) 3.815 18.698 ( 0.000 -0.268 -2.289) 2.304 18.935 ( 0.000 1.942 4.093) 4.530 19.066 ( 0.000 -1.767 4.201) 4.557 27.594 ( 0.000 0.865 2.118) 2.288 27.602 ( 0.000 0.449 1.766) 1.822 27.656 ( 0.000 3.007 1.954) 3.586 27.751 ( 0.000 -1.281 0.643) 1.433 29.832 ( 0.000 0.803 1.391) 1.606 29.945 ( 0.000 -5.530 -0.336) 5.540 30.025 ( 0.000 0.994 6.571) 6.646 30.067 ( 0.000 -1.037 5.086) 5.191 30.212 ( 0.000 5.896 7.814) 9.789 30.544 ( 0.000 -8.626 11.361) 14.265 30.732 ( 0.000 6.109 13.119) 14.471 30.886 ( 0.000 -1.397 8.662) 8.774 31.450 ( 0.000 13.011 -9.896) 16.346 31.965 ( 0.000 -11.033 -15.241) 18.815 32.014 ( 0.000 11.944 0.095) 11.944 32.510 ( 0.000 -11.297 -8.404) 14.080 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 6.549 16.066 15.141) 23.027 3.597 ( 9.022 22.941 14.250) 28.473 3.826 ( 0.380 -1.128 -6.468) 6.577 3.990 ( 3.131 -4.003 -1.428) 5.279 4.196 ( -7.073 3.797 5.070) 9.495 4.298 ( -0.892 4.240 14.277) 14.920 4.415 ( 1.250 3.932 13.043) 13.680 4.615 ( -3.047 -4.462 -11.665) 12.856 4.980 ( -1.717 -14.380 -2.250) 14.656 5.020 ( -3.747 -15.930 -0.599) 16.376 5.370 ( -6.209 1.195 -4.737) 7.901 5.617 ( -3.172 5.077 7.039) 9.240 5.698 ( 10.696 12.609 -3.459) 16.893 5.855 ( 7.531 16.911 -3.001) 18.754 6.055 ( 2.226 9.514 19.100) 21.454 6.165 ( -4.519 12.446 -6.756) 14.865 6.286 ( -2.072 10.855 -6.966) 13.064 6.489 ( -5.842 11.416 3.240) 13.227 6.632 ( -6.106 -1.916 -18.187) 19.280 6.855 ( -5.823 -0.815 -9.777) 11.409 6.955 ( 3.226 4.404 -10.640) 11.959 7.242 ( 10.517 -3.323 -8.190) 13.738 7.664 ( -8.709 4.304 -8.002) 12.586 7.889 ( -1.177 -5.221 -13.220) 14.262 9.281 ( 7.094 5.979 -6.497) 11.326 9.409 ( 1.864 8.264 -5.560) 10.133 9.574 ( 2.577 -2.599 -4.302) 5.648 9.658 ( 1.503 -2.074 -4.562) 5.232 10.277 ( 0.060 19.223 2.271) 19.357 10.386 ( -4.211 9.667 -5.081) 11.705 10.493 ( 0.288 4.665 -6.419) 7.941 10.530 ( 1.713 -3.930 -6.625) 7.891 10.842 ( 0.987 -9.744 -2.416) 10.088 10.977 ( -1.846 -10.522 -5.278) 11.916 11.277 ( 3.438 -13.347 1.690) 13.886 11.302 ( 5.802 3.481 -1.067) 6.850 11.404 ( 0.730 -9.772 3.974) 10.575 11.613 ( -1.004 -11.817 3.482) 12.360 11.824 ( -10.866 -3.258 4.334) 12.144 11.905 ( -9.287 -12.092 0.309) 15.250 12.148 ( 8.651 3.413 5.864) 10.994 12.314 ( 2.249 5.553 2.214) 6.388 12.532 ( -2.840 0.825 5.085) 5.883 12.640 ( 4.562 -3.015 4.176) 6.881 12.841 ( -1.450 -5.650 10.582) 12.083 12.952 ( 4.165 -8.256 4.502) 10.285 13.443 ( -10.344 3.362 -3.303) 11.367 13.620 ( -5.810 -0.344 -1.460) 6.001 13.711 ( 2.522 0.920 -1.726) 3.191 13.748 ( 3.255 1.625 -0.168) 3.642 14.076 ( -4.503 1.150 -1.724) 4.957 14.137 ( -6.386 -3.218 1.926) 7.406 14.230 ( 6.375 -0.691 -0.381) 6.424 14.387 ( -6.475 -4.558 5.853) 9.846 14.502 ( 2.237 11.010 -1.828) 11.383 14.582 ( -1.247 5.624 -3.195) 6.588 14.756 ( -3.043 1.985 -0.569) 3.678 14.791 ( -1.090 1.346 -0.883) 1.944 14.865 ( 0.902 -3.153 -1.373) 3.555 14.894 ( -3.754 -5.691 2.202) 7.164 15.120 ( 13.306 -0.127 -2.490) 13.538 15.204 ( 11.955 -1.786 0.974) 12.127 15.640 ( -3.579 1.926 6.893) 8.002 15.683 ( -2.263 0.652 4.398) 4.989 16.137 ( 1.053 3.392 7.374) 8.185 16.298 ( 3.481 -5.703 7.918) 10.360 16.450 ( 1.490 3.536 3.939) 5.499 16.619 ( -7.019 -4.881 6.707) 10.866 17.150 ( 3.790 -2.340 4.336) 6.217 17.353 ( 2.623 -6.152 -1.503) 6.855 17.518 ( -5.667 2.732 -2.050) 6.617 17.653 ( -3.354 0.227 -3.604) 4.928 17.910 ( 4.873 2.531 3.682) 6.612 18.071 ( 8.247 -2.904 2.010) 8.972 18.367 ( -2.823 0.185 2.994) 4.119 18.413 ( -1.168 -1.969 2.412) 3.325 18.546 ( -0.175 4.144 -2.096) 4.648 18.715 ( 2.345 -0.133 -0.498) 2.401 18.879 ( -4.955 2.382 4.567) 7.147 19.043 ( -2.723 -2.729 2.456) 4.571 27.595 ( 0.381 1.330 2.094) 2.510 27.623 ( 1.693 0.042 1.641) 2.358 27.649 ( -0.705 2.875 1.975) 3.559 27.738 ( -1.285 -1.168 0.724) 1.882 29.843 ( 1.320 0.502 2.203) 2.616 29.927 ( -1.188 -4.219 0.969) 4.489 30.000 ( -2.271 0.501 6.948) 7.327 30.044 ( -2.223 -1.342 5.806) 6.360 30.297 ( 7.335 5.329 6.867) 11.373 30.536 ( 0.033 -2.282 9.119) 9.400 30.761 ( 1.683 0.079 12.926) 13.035 30.869 ( -1.809 -1.808 8.745) 9.112 31.481 ( 3.705 13.913 -9.219) 17.096 31.934 ( -5.358 8.956 -5.178) 11.651 32.038 ( 4.622 -8.221 -9.858) 13.643 32.460 ( -5.077 -11.546 -8.835) 15.399 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 14.733 13.513 16.075) 25.653 3.592 ( -12.118 14.513 13.002) 22.946 3.877 ( 5.348 -2.049 0.537) 5.752 4.003 ( -6.691 9.652 12.539) 17.180 4.095 ( 5.278 2.244 6.344) 8.552 4.210 ( -5.123 2.662 15.687) 16.716 4.569 ( 6.018 1.562 -3.642) 7.205 4.594 ( 0.493 -6.248 -8.597) 10.639 4.966 ( 4.347 -9.316 -11.361) 15.322 5.037 ( 2.728 -9.710 -1.999) 10.282 5.253 ( -3.315 -9.962 0.485) 10.510 5.425 ( -15.043 -7.627 6.824) 18.194 5.881 ( 7.171 14.487 -4.214) 16.705 5.963 ( 0.528 14.616 -1.229) 14.677 6.074 ( 3.569 12.812 1.933) 13.439 6.169 ( -2.106 9.826 -11.238) 15.076 6.236 ( 2.694 12.833 1.048) 13.155 6.364 ( -7.304 13.871 0.165) 15.677 6.571 ( 2.321 -0.804 -12.094) 12.341 6.704 ( -9.135 0.333 -9.075) 12.881 7.093 ( 10.034 10.794 -9.468) 17.517 7.290 ( -8.128 11.359 -11.539) 18.118 7.630 ( 7.813 -7.022 -3.500) 11.073 7.802 ( -7.680 -7.636 -7.981) 13.454 9.416 ( 5.384 7.061 -6.082) 10.763 9.451 ( 1.415 8.220 -5.079) 9.765 9.632 ( 2.918 0.445 -5.531) 6.270 9.669 ( -0.712 0.641 -5.654) 5.735 10.289 ( 1.051 16.513 0.089) 16.547 10.320 ( -2.442 12.803 -3.232) 13.429 10.498 ( 1.870 4.232 -8.106) 9.334 10.550 ( -1.330 0.402 -5.367) 5.544 10.864 ( 1.521 -10.920 -3.432) 11.548 10.915 ( -3.693 -10.837 -5.839) 12.852 11.370 ( 5.077 -13.453 5.387) 15.355 11.424 ( 0.292 -11.528 4.270) 12.297 11.434 ( 8.124 -3.527 1.552) 8.991 11.562 ( -4.216 -5.833 2.149) 7.511 11.644 ( -5.476 -3.440 3.266) 7.245 11.696 ( -10.396 -11.733 0.204) 15.677 12.283 ( 5.913 1.786 7.493) 9.710 12.412 ( -7.125 4.025 6.339) 10.352 12.504 ( 13.960 -1.970 1.950) 14.232 12.682 ( -3.119 -8.568 5.915) 10.869 12.876 ( 7.045 -2.014 5.600) 9.222 13.108 ( 2.274 -4.807 0.953) 5.402 13.151 ( -7.386 0.486 -2.219) 7.727 13.409 ( -15.017 -5.169 -3.101) 16.182 13.777 ( 2.949 3.020 1.472) 4.470 13.795 ( 1.073 3.763 3.252) 5.088 14.003 ( -1.466 -3.657 -1.299) 4.148 14.031 ( -4.394 -4.185 0.843) 6.126 14.359 ( 7.178 3.741 -0.103) 8.094 14.428 ( 4.915 3.319 1.959) 6.246 14.537 ( 1.416 6.156 -4.769) 7.915 14.576 ( 0.714 6.824 -1.567) 7.038 14.649 ( -4.551 2.478 4.409) 6.803 14.712 ( -8.384 0.289 5.556) 10.062 14.847 ( 0.732 -4.922 -2.946) 5.783 14.867 ( -0.907 -5.005 -4.155) 6.568 15.378 ( 11.668 -0.398 -2.378) 11.914 15.419 ( 9.830 0.023 2.626) 10.175 15.549 ( -6.121 1.212 2.536) 6.736 15.590 ( -7.299 -0.288 1.015) 7.375 16.202 ( 5.959 5.061 9.688) 12.450 16.320 ( -3.552 1.018 8.598) 9.358 16.478 ( 0.973 -3.697 9.428) 10.173 16.501 ( -2.971 -6.681 7.743) 10.649 17.245 ( 6.047 0.196 1.041) 6.139 17.361 ( -4.654 1.101 -0.187) 4.786 17.466 ( 2.793 -4.685 -2.937) 6.195 17.557 ( -5.519 -3.492 -2.818) 7.113 18.057 ( 9.351 3.591 1.433) 10.119 18.219 ( 3.053 -1.784 1.307) 3.770 18.249 ( -4.461 0.254 -0.335) 4.481 18.355 ( -5.253 -2.841 0.908) 6.041 18.600 ( 5.589 6.249 3.530) 9.096 18.720 ( -5.407 5.626 5.802) 9.724 18.842 ( 4.609 -3.290 -0.395) 5.677 18.958 ( -5.902 -3.642 0.452) 6.949 27.609 ( 1.024 1.953 2.071) 3.025 27.630 ( -1.116 2.498 2.013) 3.396 27.662 ( 2.262 -0.442 1.312) 2.652 27.705 ( -2.121 -0.866 0.962) 2.485 29.883 ( 2.619 0.123 3.837) 4.647 29.916 ( -0.247 -1.699 3.576) 3.966 29.958 ( -1.386 -1.536 5.556) 5.928 29.985 ( -3.357 -2.140 5.929) 7.141 30.446 ( 7.285 6.269 7.295) 12.066 30.536 ( -1.495 5.610 7.937) 9.834 30.778 ( 0.874 -5.903 9.755) 11.435 30.819 ( -3.050 -4.110 8.557) 9.970 31.602 ( 8.693 14.305 -6.427) 17.930 31.784 ( -9.480 13.161 -4.040) 16.715 32.167 ( 8.206 -12.090 -11.099) 18.349 32.329 ( -8.192 -12.081 -9.944) 17.663 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 0.000 -21.759 -0.618) 21.768 3.451 ( 0.000 21.759 -0.618) 21.768 3.905 ( 0.000 -7.215 -0.387) 7.226 3.905 ( 0.000 7.215 -0.387) 7.226 4.281 ( 0.000 -5.259 8.494) 9.990 4.281 ( 0.000 5.259 8.494) 9.990 4.576 ( 0.000 -16.481 4.282) 17.029 4.576 ( 0.000 16.481 4.282) 17.029 4.881 ( 0.000 -9.895 -1.454) 10.001 4.881 ( 0.000 9.895 -1.454) 10.001 5.526 ( 0.000 -5.341 6.181) 8.169 5.526 ( 0.000 5.341 6.181) 8.169 5.832 ( 0.000 -9.199 -4.932) 10.438 5.832 ( 0.000 9.199 -4.932) 10.438 6.377 ( 0.000 -8.762 9.379) 12.835 6.377 ( 0.000 8.762 9.379) 12.835 6.573 ( 0.000 -13.595 -2.366) 13.800 6.573 ( 0.000 13.595 -2.366) 13.800 6.656 ( 0.000 -2.517 -11.736) 12.003 6.656 ( 0.000 2.517 -11.736) 12.003 7.031 ( 0.000 -3.536 -9.620) 10.249 7.031 ( 0.000 3.536 -9.620) 10.249 7.829 ( 0.000 -1.509 -16.209) 16.280 7.829 ( 0.000 1.509 -16.209) 16.280 9.382 ( 0.000 -9.463 -1.897) 9.651 9.382 ( 0.000 9.463 -1.897) 9.651 9.552 ( 0.000 -5.180 -6.450) 8.272 9.552 ( 0.000 5.180 -6.450) 8.272 10.420 ( 0.000 -1.808 -7.016) 7.246 10.420 ( 0.000 1.808 -7.016) 7.246 10.611 ( 0.000 -2.949 -5.680) 6.399 10.611 ( 0.000 2.949 -5.680) 6.399 10.850 ( 0.000 -19.598 4.233) 20.050 10.850 ( 0.000 19.598 4.233) 20.050 11.118 ( 0.000 -16.633 3.363) 16.970 11.118 ( 0.000 16.633 3.363) 16.970 11.391 ( 0.000 -8.063 -3.324) 8.721 11.391 ( 0.000 8.063 -3.324) 8.721 11.870 ( 0.000 -0.261 3.434) 3.443 11.870 ( 0.000 0.261 3.434) 3.443 12.358 ( 0.000 -17.265 3.601) 17.636 12.358 ( 0.000 17.265 3.601) 17.636 12.429 ( 0.000 -3.947 0.961) 4.062 12.429 ( 0.000 3.947 0.961) 4.062 12.872 ( 0.000 -1.891 12.963) 13.100 12.872 ( 0.000 1.891 12.963) 13.100 13.590 ( 0.000 -5.941 -1.417) 6.108 13.590 ( 0.000 5.941 -1.417) 6.108 13.733 ( 0.000 -1.184 -2.838) 3.075 13.733 ( 0.000 1.184 -2.838) 3.075 14.092 ( 0.000 -1.653 -0.867) 1.866 14.092 ( 0.000 1.653 -0.867) 1.866 14.394 ( 0.000 -9.257 5.981) 11.021 14.394 ( 0.000 9.257 5.981) 11.021 14.704 ( 0.000 -8.632 -4.953) 9.952 14.704 ( 0.000 8.632 -4.953) 9.952 14.725 ( 0.000 -4.750 -0.902) 4.835 14.725 ( 0.000 4.750 -0.902) 4.835 14.775 ( 0.000 -1.369 -5.717) 5.878 14.775 ( 0.000 1.369 -5.717) 5.878 15.051 ( 0.000 -1.401 4.289) 4.512 15.051 ( 0.000 1.401 4.289) 4.512 15.703 ( 0.000 -0.064 10.216) 10.216 15.703 ( 0.000 0.064 10.216) 10.216 16.174 ( 0.000 -2.617 4.199) 4.948 16.174 ( 0.000 2.617 4.199) 4.948 16.556 ( 0.000 -6.406 4.975) 8.111 16.556 ( 0.000 6.406 4.975) 8.111 17.167 ( 0.000 -6.961 0.976) 7.029 17.167 ( 0.000 6.961 0.976) 7.029 17.696 ( 0.000 -0.417 -4.360) 4.380 17.696 ( 0.000 0.417 -4.360) 4.380 17.890 ( 0.000 -0.861 4.645) 4.724 17.890 ( 0.000 0.861 4.645) 4.724 18.395 ( 0.000 -1.363 3.171) 3.451 18.395 ( 0.000 1.363 3.171) 3.451 18.640 ( 0.000 -4.654 -3.877) 6.057 18.640 ( 0.000 4.654 -3.877) 6.057 19.000 ( 0.000 -3.910 5.651) 6.872 19.000 ( 0.000 3.910 5.651) 6.872 27.606 ( 0.000 -0.186 2.017) 2.025 27.606 ( 0.000 0.186 2.017) 2.025 27.713 ( 0.000 -2.416 1.143) 2.673 27.713 ( 0.000 2.416 1.143) 2.673 29.864 ( 0.000 -2.550 0.684) 2.641 29.864 ( 0.000 2.550 0.684) 2.641 30.046 ( 0.000 -1.063 5.599) 5.699 30.046 ( 0.000 1.063 5.599) 5.699 30.362 ( 0.000 -8.483 10.310) 13.351 30.362 ( 0.000 8.483 10.310) 13.351 30.833 ( 0.000 -3.745 12.603) 13.148 30.833 ( 0.000 3.745 12.603) 13.148 31.718 ( 0.000 -12.810 -13.735) 18.781 31.718 ( 0.000 12.810 -13.735) 18.781 32.267 ( 0.000 -12.336 -4.985) 13.305 32.267 ( 0.000 12.336 -4.985) 13.305 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 3.824 -20.321 3.272) 20.935 3.478 ( 3.824 20.321 3.272) 20.935 3.996 ( 4.268 -9.395 -2.718) 10.671 3.996 ( 4.268 9.395 -2.718) 10.671 4.267 ( -0.313 -11.432 11.364) 16.122 4.267 ( -0.313 11.432 11.364) 16.122 4.553 ( -0.052 -18.056 6.741) 19.274 4.553 ( -0.052 18.056 6.741) 19.274 4.769 ( -7.524 -11.277 -4.789) 14.377 4.769 ( -7.524 11.277 -4.789) 14.377 5.491 ( -6.368 -9.129 4.087) 11.857 5.491 ( -6.368 9.129 4.087) 11.857 5.941 ( 9.943 -7.224 -6.451) 13.880 5.941 ( 9.943 7.224 -6.451) 13.880 6.324 ( -6.628 -7.587 8.478) 13.167 6.324 ( -6.628 7.587 8.478) 13.167 6.459 ( -3.391 -10.456 -10.147) 14.960 6.459 ( -3.391 10.456 -10.147) 14.960 6.707 ( -1.019 -9.514 -9.566) 13.530 6.707 ( -1.019 9.514 -9.566) 13.530 7.121 ( 9.582 -8.104 -4.780) 13.429 7.121 ( 9.582 8.104 -4.780) 13.429 7.772 ( -6.127 -5.815 -12.943) 15.455 7.772 ( -6.127 5.815 -12.943) 15.455 9.443 ( 5.878 -7.901 -2.602) 10.186 9.443 ( 5.878 7.901 -2.602) 10.186 9.577 ( 2.300 -5.713 -6.097) 8.666 9.577 ( 2.300 5.713 -6.097) 8.666 10.431 ( 1.234 -2.845 -6.171) 6.906 10.431 ( 1.234 2.845 -6.171) 6.906 10.602 ( -1.101 -1.021 -7.261) 7.415 10.602 ( -1.101 1.021 -7.261) 7.415 10.855 ( 0.853 -19.229 3.690) 19.598 10.855 ( 0.853 19.229 3.690) 19.599 11.100 ( -1.476 -16.822 3.369) 17.219 11.100 ( -1.476 16.822 3.369) 17.219 11.446 ( 4.032 -7.747 -1.710) 8.899 11.446 ( 4.032 7.747 -1.710) 8.899 11.763 ( -9.528 -0.331 2.761) 9.925 11.763 ( -9.528 0.331 2.761) 9.925 12.310 ( 0.173 -8.045 4.022) 8.996 12.310 ( 0.173 8.045 4.022) 8.996 12.555 ( 6.192 -4.941 2.000) 8.170 12.555 ( 6.192 4.941 2.000) 8.170 12.818 ( -2.267 -3.642 10.389) 11.240 12.818 ( -2.267 3.642 10.389) 11.240 13.546 ( -9.010 -5.851 -2.914) 11.132 13.546 ( -9.010 5.851 -2.914) 11.132 13.749 ( 4.077 -1.661 -1.593) 4.682 13.749 ( 4.077 1.661 -1.593) 4.682 14.094 ( -4.415 -1.554 -0.572) 4.716 14.094 ( -4.415 1.554 -0.572) 4.716 14.274 ( -0.777 -5.167 6.263) 8.156 14.274 ( -0.777 5.167 6.263) 8.156 14.693 ( 0.168 -4.203 -3.172) 5.268 14.693 ( 0.168 4.203 -3.172) 5.268 14.715 ( -0.291 -4.655 -7.860) 9.140 14.715 ( -0.291 4.655 -7.860) 9.140 14.851 ( -1.890 -0.684 6.259) 6.574 14.851 ( -1.890 0.684 6.259) 6.574 15.156 ( 12.152 -2.553 -0.733) 12.439 15.156 ( 12.152 2.553 -0.733) 12.439 15.672 ( -3.431 -1.274 6.718) 7.650 15.672 ( -3.431 1.274 6.718) 7.650 16.204 ( 3.303 -3.528 7.511) 8.932 16.204 ( 3.303 3.528 7.511) 8.932 16.520 ( -3.687 -4.166 5.643) 7.924 16.520 ( -3.687 4.166 5.643) 7.924 17.213 ( 4.495 -6.580 -0.303) 7.975 17.213 ( 4.495 6.580 -0.303) 7.975 17.602 ( -7.139 -4.294 -2.748) 8.773 17.602 ( -7.139 4.294 -2.748) 8.773 17.992 ( 7.865 -4.541 2.731) 9.484 17.992 ( 7.865 4.541 2.731) 9.484 18.377 ( -2.411 -1.157 2.435) 3.617 18.377 ( -2.411 1.157 2.435) 3.617 18.653 ( 1.994 -5.122 -2.166) 5.908 18.653 ( 1.994 5.122 -2.166) 5.908 18.960 ( -4.073 -4.736 4.791) 7.872 18.960 ( -4.073 4.736 4.791) 7.872 27.616 ( 1.068 -0.697 1.927) 2.311 27.616 ( 1.068 0.697 1.927) 2.311 27.703 ( -1.011 -2.270 1.219) 2.768 27.703 ( -1.011 2.270 1.219) 2.768 29.865 ( 0.460 -1.838 1.705) 2.549 29.865 ( 0.460 1.838 1.705) 2.549 30.019 ( -2.794 -1.149 6.562) 7.224 30.019 ( -2.794 1.149 6.562) 7.224 30.424 ( 6.198 -6.764 8.517) 12.518 30.424 ( 6.198 6.764 8.517) 12.518 30.810 ( -2.623 -3.446 11.767) 12.538 30.810 ( -2.623 3.446 11.767) 12.538 31.763 ( 4.742 -13.233 -12.509) 18.816 31.763 ( 4.742 13.233 -12.509) 18.816 32.212 ( -5.581 -12.518 -5.463) 14.754 32.212 ( -5.581 12.518 -5.463) 14.754 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 10.962 -16.538 8.163) 21.455 3.620 ( 10.962 16.538 8.163) 21.455 3.871 ( -13.638 -12.340 8.349) 20.198 3.871 ( -13.638 12.340 8.349) 20.198 4.357 ( 7.438 -12.510 -0.023) 14.554 4.357 ( 7.438 12.510 -0.023) 14.554 4.504 ( -7.311 -14.149 2.810) 16.173 4.504 ( -7.311 14.149 2.810) 16.173 4.847 ( 17.572 -3.410 -0.614) 17.910 4.847 ( 17.572 3.410 -0.614) 17.910 5.238 ( -19.335 -6.388 2.125) 20.474 5.238 ( -19.335 6.388 2.125) 20.474 6.114 ( 6.886 -5.493 -7.697) 11.697 6.114 ( 6.886 5.493 -7.697) 11.697 6.219 ( -4.362 -5.079 -1.567) 6.876 6.219 ( -4.362 5.079 -1.567) 6.876 6.468 ( 4.961 -7.851 -8.047) 12.288 6.468 ( 4.961 7.851 -8.047) 12.288 6.612 ( -7.805 -8.645 -9.277) 14.890 6.612 ( -7.805 8.645 -9.277) 14.890 7.356 ( 13.543 -11.290 -2.719) 17.840 7.356 ( 13.543 11.290 -2.719) 17.840 7.601 ( -11.375 -10.108 -6.654) 16.609 7.601 ( -11.375 10.108 -6.654) 16.609 9.564 ( 5.319 -5.799 -4.101) 8.873 9.564 ( 5.319 5.799 -4.101) 8.873 9.612 ( 0.341 -5.637 -5.222) 7.692 9.612 ( 0.341 5.637 -5.222) 7.692 10.474 ( 3.473 -5.287 -5.471) 8.363 10.474 ( 3.473 5.287 -5.471) 8.363 10.554 ( -4.024 -5.291 -6.944) 9.613 10.554 ( -4.024 5.291 -6.944) 9.613 10.914 ( 5.754 -20.222 1.959) 21.116 10.914 ( 5.754 20.222 1.959) 21.116 11.040 ( -5.624 -19.538 1.743) 20.406 11.040 ( -5.624 19.538 1.743) 20.406 11.504 ( 2.622 -4.636 1.216) 5.463 11.504 ( 2.622 4.636 1.216) 5.463 11.590 ( -6.987 -1.428 2.655) 7.610 11.590 ( -6.987 1.428 2.655) 7.610 12.387 ( 7.072 -7.199 5.772) 11.626 12.387 ( 7.073 7.199 5.772) 11.626 12.532 ( -6.748 -6.082 6.740) 11.312 12.532 ( -6.748 6.082 6.740) 11.312 12.940 ( 13.860 -7.826 1.164) 15.959 12.940 ( 13.860 7.826 1.164) 15.959 13.261 ( -18.071 -7.800 -3.041) 19.916 13.261 ( -18.071 7.800 -3.041) 19.916 13.849 ( 5.390 -1.620 0.580) 5.658 13.849 ( 5.390 1.620 0.580) 5.658 13.958 ( -6.524 -1.498 1.651) 6.894 13.958 ( -6.524 1.498 1.651) 6.894 14.421 ( 11.552 -2.519 2.660) 12.119 14.421 ( 11.552 2.519 2.660) 12.119 14.629 ( -8.338 -4.077 -3.164) 9.805 14.629 ( -8.338 4.077 -3.164) 9.805 14.731 ( 1.711 -6.573 -2.235) 7.150 14.731 ( 1.711 6.573 -2.235) 7.150 14.773 ( -3.262 -4.743 3.605) 6.792 14.773 ( -3.262 4.743 3.605) 6.792 15.397 ( 11.177 -1.702 -0.065) 11.306 15.397 ( 11.177 1.702 -0.065) 11.306 15.570 ( -7.130 -1.238 2.472) 7.647 15.570 ( -7.130 1.238 2.472) 7.647 16.299 ( 6.293 -3.626 9.529) 11.981 16.299 ( 6.293 3.626 9.529) 11.981 16.423 ( -6.149 -0.459 7.553) 9.751 16.423 ( -6.149 0.459 7.553) 9.751 17.324 ( 6.807 -5.740 -2.085) 9.145 17.324 ( 6.807 5.740 -2.085) 9.145 17.462 ( -7.391 -4.871 -2.607) 9.227 17.462 ( -7.391 4.871 -2.607) 9.227 18.147 ( 8.056 -4.588 2.023) 9.489 18.147 ( 8.056 4.588 2.023) 9.489 18.290 ( -6.489 -3.072 1.716) 7.382 18.290 ( -6.489 3.072 1.716) 7.382 18.731 ( 5.881 -5.906 0.738) 8.367 18.731 ( 5.881 5.906 0.738) 8.367 18.855 ( -6.495 -5.799 2.900) 9.177 18.855 ( -6.495 5.799 2.900) 9.177 27.644 ( 1.686 -1.321 1.697) 2.733 27.644 ( 1.686 1.321 1.697) 2.733 27.677 ( -1.652 -1.874 1.427) 2.877 27.677 ( -1.652 1.874 1.427) 2.877 29.891 ( 2.369 -0.705 3.947) 4.657 29.891 ( 2.369 0.705 3.947) 4.657 29.952 ( -3.709 -0.882 6.080) 7.176 29.952 ( -3.709 0.882 6.080) 7.176 30.573 ( 8.522 -4.612 7.793) 12.435 30.573 ( 8.522 4.612 7.793) 12.435 30.722 ( -6.560 -3.507 9.530) 12.089 30.722 ( -6.560 3.507 9.530) 12.089 31.894 ( 8.568 -13.449 -9.619) 18.622 31.894 ( 8.568 13.449 -9.619) 18.622 32.068 ( -8.944 -13.004 -6.987) 17.261 32.068 ( -8.944 13.004 -6.987) 17.261 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 0.000 0.000 30.664) 30.664 3.496 ( 0.000 0.000 28.871) 28.871 3.543 ( 0.000 0.000 5.569) 5.569 3.750 ( 0.000 0.000 9.498) 9.498 4.123 ( 0.000 0.000 -10.636) 10.636 4.380 ( 0.000 0.000 5.571) 5.571 4.450 ( 0.000 0.000 8.514) 8.514 4.672 ( 0.000 0.000 -19.894) 19.894 4.739 ( 0.000 0.000 9.735) 9.735 4.827 ( 0.000 0.000 -10.061) 10.061 4.838 ( 0.000 0.000 18.693) 18.693 5.078 ( 0.000 0.000 8.111) 8.111 5.593 ( 0.000 0.000 -2.896) 2.896 5.610 ( 0.000 0.000 -9.683) 9.683 5.660 ( 0.000 0.000 -23.401) 23.401 5.751 ( 0.000 0.000 1.067) 1.067 5.770 ( 0.000 0.000 -2.782) 2.782 6.091 ( 0.000 0.000 -4.802) 4.802 6.128 ( 0.000 0.000 -2.072) 2.072 6.208 ( 0.000 0.000 -21.447) 21.447 7.164 ( 0.000 0.000 7.771) 7.771 7.211 ( 0.000 0.000 7.878) 7.878 7.407 ( 0.000 0.000 -2.707) 2.707 7.681 ( 0.000 0.000 -15.505) 15.505 9.144 ( 0.000 0.000 -4.889) 4.889 9.150 ( 0.000 0.000 -3.236) 3.236 9.297 ( 0.000 0.000 -1.873) 1.873 9.453 ( 0.000 0.000 -6.495) 6.495 9.705 ( 0.000 0.000 1.916) 1.916 9.906 ( 0.000 0.000 -5.867) 5.867 10.807 ( 0.000 0.000 5.162) 5.162 11.018 ( 0.000 0.000 -4.660) 4.660 11.099 ( 0.000 0.000 -4.309) 4.309 11.149 ( 0.000 0.000 -8.334) 8.334 11.534 ( 0.000 0.000 -2.831) 2.831 11.697 ( 0.000 0.000 -11.303) 11.303 11.799 ( 0.000 0.000 1.001) 1.001 11.853 ( 0.000 0.000 -1.217) 1.217 11.983 ( 0.000 0.000 10.981) 10.981 12.094 ( 0.000 0.000 1.900) 1.900 12.139 ( 0.000 0.000 1.133) 1.133 12.188 ( 0.000 0.000 -2.787) 2.787 12.811 ( 0.000 0.000 2.209) 2.209 12.864 ( 0.000 0.000 -1.034) 1.034 12.875 ( 0.000 0.000 6.185) 6.185 13.058 ( 0.000 0.000 0.152) 0.152 13.250 ( 0.000 0.000 -1.660) 1.660 13.476 ( 0.000 0.000 -8.927) 8.927 13.746 ( 0.000 0.000 1.931) 1.931 13.772 ( 0.000 0.000 1.265) 1.265 14.027 ( 0.000 0.000 -4.400) 4.400 14.072 ( 0.000 0.000 -6.142) 6.142 14.169 ( 0.000 0.000 6.394) 6.394 14.184 ( 0.000 0.000 4.054) 4.054 14.665 ( 0.000 0.000 9.611) 9.611 14.668 ( 0.000 0.000 0.737) 0.737 14.681 ( 0.000 0.000 0.446) 0.446 14.936 ( 0.000 0.000 2.322) 2.322 15.000 ( 0.000 0.000 11.109) 11.109 15.348 ( 0.000 0.000 -4.944) 4.944 15.427 ( 0.000 0.000 10.101) 10.101 15.486 ( 0.000 0.000 -5.838) 5.838 15.507 ( 0.000 0.000 -2.844) 2.844 15.578 ( 0.000 0.000 2.283) 2.283 15.735 ( 0.000 0.000 0.807) 0.807 15.862 ( 0.000 0.000 -6.729) 6.729 16.338 ( 0.000 0.000 9.121) 9.121 16.669 ( 0.000 0.000 -3.497) 3.497 17.592 ( 0.000 0.000 2.207) 2.207 17.613 ( 0.000 0.000 2.032) 2.032 17.927 ( 0.000 0.000 6.990) 6.990 17.967 ( 0.000 0.000 4.670) 4.670 18.155 ( 0.000 0.000 7.178) 7.178 18.241 ( 0.000 0.000 -4.247) 4.247 18.244 ( 0.000 0.000 -4.052) 4.052 18.426 ( 0.000 0.000 13.889) 13.889 18.560 ( 0.000 0.000 -11.322) 11.322 18.783 ( 0.000 0.000 -2.334) 2.334 18.795 ( 0.000 0.000 5.183) 5.183 18.834 ( 0.000 0.000 4.108) 4.108 27.579 ( 0.000 0.000 1.345) 1.345 27.590 ( 0.000 0.000 0.496) 0.496 27.644 ( 0.000 0.000 3.710) 3.710 27.760 ( 0.000 0.000 -1.436) 1.436 30.026 ( 0.000 0.000 8.851) 8.851 30.094 ( 0.000 0.000 6.830) 6.830 30.126 ( 0.000 0.000 3.306) 3.306 30.193 ( 0.000 0.000 0.281) 0.281 30.358 ( 0.000 0.000 -6.814) 6.814 30.434 ( 0.000 0.000 -9.464) 9.464 30.479 ( 0.000 0.000 6.253) 6.253 30.617 ( 0.000 0.000 0.311) 0.311 31.298 ( 0.000 0.000 13.906) 13.906 31.997 ( 0.000 0.000 -18.106) 18.106 32.089 ( 0.000 0.000 17.867) 17.867 32.684 ( 0.000 0.000 -12.606) 12.606 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 12.422 0.000 26.889) 29.619 3.541 ( 4.371 0.000 27.480) 27.826 3.578 ( 2.755 0.000 4.736) 5.479 3.749 ( -0.284 0.000 11.402) 11.405 4.255 ( 12.690 0.000 -8.029) 15.017 4.388 ( 1.351 0.000 3.773) 4.008 4.428 ( -1.464 0.000 8.258) 8.387 4.614 ( -4.419 0.000 -11.196) 12.037 4.715 ( -8.887 0.000 -5.881) 10.657 4.834 ( 8.321 0.000 10.079) 13.070 4.885 ( 2.258 0.000 7.104) 7.454 5.120 ( 2.380 0.000 2.905) 3.755 5.568 ( -2.180 0.000 -8.291) 8.573 5.614 ( 3.236 0.000 3.683) 4.902 5.656 ( -1.917 0.000 -26.786) 26.854 5.719 ( -0.562 0.000 1.722) 1.811 5.839 ( 6.580 0.000 -1.723) 6.801 6.078 ( -3.339 0.000 -4.623) 5.703 6.193 ( 6.065 0.000 -2.200) 6.451 6.201 ( -1.245 0.000 -18.672) 18.713 6.974 ( -17.397 0.000 8.633) 19.421 7.107 ( -11.291 0.000 4.990) 12.344 7.417 ( 1.303 0.000 -4.970) 5.138 7.648 ( -3.284 0.000 -15.608) 15.949 9.104 ( -2.090 0.000 -3.571) 4.138 9.139 ( -0.781 0.000 -3.573) 3.657 9.333 ( 4.027 0.000 -0.255) 4.035 9.508 ( 4.722 0.000 -6.167) 7.767 9.653 ( -4.686 0.000 0.992) 4.790 9.832 ( -7.645 0.000 -5.542) 9.443 10.591 ( -16.321 0.000 4.961) 17.058 10.843 ( -16.330 0.000 -6.771) 17.678 11.174 ( 7.762 0.000 -2.922) 8.294 11.250 ( 8.326 0.000 -8.194) 11.682 11.553 ( 1.656 0.000 -4.266) 4.576 11.691 ( -1.000 0.000 -10.895) 10.940 11.895 ( 8.136 0.000 2.989) 8.668 11.987 ( 9.019 0.000 -2.214) 9.287 12.006 ( 1.984 0.000 8.598) 8.824 12.107 ( -2.639 0.000 1.937) 3.273 12.125 ( 1.381 0.000 0.456) 1.454 12.184 ( 0.687 0.000 -2.495) 2.588 12.769 ( -1.622 0.000 3.407) 3.773 12.914 ( 1.000 0.000 -2.973) 3.137 12.952 ( 8.574 0.000 7.222) 11.210 13.156 ( 9.705 0.000 -0.180) 9.707 13.287 ( 4.703 0.000 -0.258) 4.710 13.491 ( 0.935 0.000 -7.473) 7.532 13.673 ( -6.546 0.000 3.370) 7.363 13.778 ( -2.162 0.000 -1.612) 2.697 14.044 ( 2.949 0.000 -2.272) 3.723 14.105 ( -1.346 0.000 10.464) 10.550 14.131 ( 3.476 0.000 -6.174) 7.085 14.258 ( 3.501 0.000 2.196) 4.132 14.590 ( -5.521 0.000 0.087) 5.521 14.603 ( -6.141 0.000 9.713) 11.491 14.611 ( -5.375 0.000 -0.630) 5.412 14.730 ( -11.600 0.000 7.105) 13.603 15.177 ( 9.306 0.000 4.817) 10.479 15.354 ( -6.320 0.000 7.862) 10.087 15.370 ( 2.056 0.000 -4.382) 4.840 15.473 ( -1.463 0.000 -5.577) 5.766 15.494 ( -1.300 0.000 -2.523) 2.839 15.546 ( -6.761 0.000 1.061) 6.844 15.680 ( 0.302 0.000 4.204) 4.214 15.902 ( 0.092 0.000 -4.252) 4.253 16.493 ( 14.450 0.000 6.670) 15.915 16.778 ( 9.741 0.000 -3.949) 10.512 17.592 ( 0.592 0.000 3.227) 3.281 17.649 ( 3.543 0.000 1.738) 3.947 17.935 ( 0.702 0.000 6.766) 6.802 17.968 ( 0.002 0.000 4.929) 4.929 18.075 ( -7.442 0.000 6.139) 9.648 18.237 ( -0.218 0.000 -4.193) 4.199 18.244 ( -0.105 0.000 -4.155) 4.156 18.407 ( -11.264 0.000 -5.780) 12.660 18.482 ( 2.734 0.000 9.867) 10.239 18.753 ( -2.866 0.000 6.991) 7.556 18.803 ( 1.704 0.000 -1.548) 2.302 18.879 ( 1.864 0.000 0.128) 1.868 27.574 ( 0.019 0.000 1.790) 1.790 27.610 ( 1.252 0.000 0.807) 1.490 27.636 ( -0.500 0.000 2.861) 2.904 27.744 ( -1.522 0.000 -1.390) 2.061 30.031 ( 0.560 0.000 8.673) 8.691 30.086 ( -0.781 0.000 7.036) 7.079 30.161 ( 3.483 0.000 3.480) 4.923 30.219 ( 2.516 0.000 1.051) 2.726 30.367 ( 0.855 0.000 -7.078) 7.130 30.428 ( -0.633 0.000 -9.225) 9.247 30.461 ( -1.727 0.000 5.937) 6.183 30.575 ( -4.194 0.000 1.205) 4.364 31.353 ( 5.623 0.000 12.368) 13.587 31.866 ( -8.930 0.000 -0.995) 8.986 32.219 ( 8.682 0.000 0.158) 8.684 32.645 ( -3.975 0.000 -11.991) 12.632 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 9.729 0.000 16.771) 19.389 3.603 ( -1.248 0.000 7.354) 7.459 3.642 ( 5.505 0.000 23.206) 23.850 3.725 ( -2.686 0.000 16.732) 16.946 4.416 ( 3.675 0.000 1.780) 4.084 4.431 ( 2.665 0.000 6.163) 6.714 4.481 ( -0.759 0.000 -7.560) 7.598 4.540 ( -8.273 0.000 1.578) 8.422 4.615 ( 11.991 0.000 -1.163) 12.047 4.840 ( -7.860 0.000 -2.717) 8.317 5.011 ( 8.605 0.000 4.207) 9.578 5.123 ( -2.689 0.000 1.477) 3.068 5.554 ( 0.879 0.000 -12.734) 12.764 5.598 ( -3.367 0.000 -21.032) 21.300 5.755 ( 9.166 0.000 7.923) 12.115 5.816 ( 11.348 0.000 -3.605) 11.907 5.976 ( -4.733 0.000 4.598) 6.599 5.990 ( 8.540 0.000 -5.874) 10.365 6.135 ( -5.889 0.000 -11.882) 13.261 6.198 ( -11.567 0.000 10.496) 15.620 6.686 ( -3.961 0.000 -0.490) 3.992 6.837 ( -14.389 0.000 -0.527) 14.399 7.469 ( 4.189 0.000 -10.568) 11.368 7.564 ( -5.179 0.000 -14.697) 15.583 9.106 ( 2.027 0.000 -1.530) 2.539 9.136 ( -0.281 0.000 -1.556) 1.582 9.451 ( 7.703 0.000 1.559) 7.859 9.561 ( -1.492 0.000 -1.942) 2.449 9.579 ( -1.106 0.000 -2.477) 2.712 9.658 ( -8.570 0.000 -4.837) 9.841 10.376 ( -2.496 0.000 -0.529) 2.552 10.517 ( -14.904 0.000 -6.353) 16.202 11.343 ( 7.609 0.000 -2.724) 8.081 11.384 ( 3.752 0.000 -5.727) 6.847 11.587 ( 2.028 0.000 -7.165) 7.446 11.646 ( -3.616 0.000 -9.787) 10.434 12.015 ( 4.654 0.000 2.279) 5.182 12.039 ( 1.204 0.000 4.967) 5.111 12.063 ( -1.681 0.000 3.306) 3.708 12.088 ( -2.634 0.000 0.108) 2.636 12.147 ( 5.510 0.000 -1.685) 5.762 12.208 ( -0.411 0.000 -3.227) 3.253 12.781 ( 3.126 0.000 2.976) 4.316 12.868 ( -4.818 0.000 -1.753) 5.127 13.196 ( 15.632 0.000 7.226) 17.221 13.393 ( 13.438 0.000 -0.647) 13.454 13.407 ( 6.214 0.000 -1.021) 6.298 13.486 ( -1.895 0.000 -3.980) 4.408 13.487 ( -12.506 0.000 5.485) 13.656 13.646 ( -11.045 0.000 -1.405) 11.134 14.108 ( 2.480 0.000 -2.133) 3.271 14.145 ( -1.619 0.000 -3.599) 3.946 14.160 ( 6.390 0.000 10.609) 12.385 14.280 ( -3.162 0.000 4.851) 5.791 14.488 ( -2.197 0.000 8.526) 8.804 14.551 ( 0.915 0.000 -1.030) 1.378 14.552 ( -6.918 0.000 5.772) 9.010 14.555 ( 0.020 0.000 -1.132) 1.132 15.257 ( -1.552 0.000 3.806) 4.111 15.327 ( 6.358 0.000 1.673) 6.574 15.350 ( -10.311 0.000 0.727) 10.336 15.412 ( 0.678 0.000 -0.153) 0.695 15.428 ( -1.896 0.000 -6.274) 6.555 15.461 ( -2.020 0.000 -3.556) 4.090 15.750 ( 5.243 0.000 4.688) 7.033 15.850 ( -4.662 0.000 1.085) 4.787 16.784 ( 13.368 0.000 3.101) 13.722 16.917 ( 1.114 0.000 -2.442) 2.684 17.642 ( 5.127 0.000 4.884) 7.081 17.721 ( 1.008 0.000 4.549) 4.660 17.951 ( 0.886 0.000 6.217) 6.280 17.953 ( -0.497 0.000 -1.111) 1.217 17.964 ( -0.454 0.000 5.542) 5.560 18.133 ( -14.815 0.000 -6.322) 16.107 18.236 ( 0.102 0.000 -4.219) 4.220 18.240 ( -0.300 0.000 -4.215) 4.226 18.576 ( 5.627 0.000 10.858) 12.230 18.679 ( -4.852 0.000 9.080) 10.295 18.845 ( 2.403 0.000 -1.556) 2.863 18.883 ( -1.245 0.000 -1.233) 1.752 27.583 ( 0.832 0.000 2.577) 2.708 27.604 ( -1.213 0.000 3.221) 3.442 27.659 ( 2.316 0.000 -0.641) 2.403 27.706 ( -2.388 0.000 -1.175) 2.661 30.047 ( 0.981 0.000 8.191) 8.250 30.067 ( -1.110 0.000 7.566) 7.647 30.242 ( 4.078 0.000 3.617) 5.451 30.269 ( 1.685 0.000 2.673) 3.159 30.388 ( 1.230 0.000 -7.764) 7.861 30.411 ( -1.101 0.000 -8.584) 8.655 30.429 ( -0.636 0.000 4.811) 4.853 30.478 ( -5.087 0.000 2.907) 5.859 31.499 ( 9.136 0.000 8.887) 12.745 31.685 ( -9.880 0.000 4.762) 10.968 32.387 ( 8.582 0.000 -6.371) 10.688 32.538 ( -6.986 0.000 -10.049) 12.238 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 7.898 27.350) 28.467 3.319 ( 0.000 -8.621 16.019) 18.192 3.656 ( 0.000 2.404 16.758) 16.930 3.897 ( 0.000 10.386 2.419) 10.664 4.147 ( 0.000 2.815 -7.821) 8.312 4.348 ( 0.000 -0.300 14.240) 14.243 4.415 ( 0.000 -3.393 -12.233) 12.695 4.743 ( 0.000 5.633 0.794) 5.688 4.805 ( 0.000 12.286 1.351) 12.360 4.977 ( 0.000 15.480 3.447) 15.859 5.142 ( 0.000 17.460 -1.015) 17.489 5.158 ( 0.000 6.279 7.860) 10.060 5.379 ( 0.000 -6.920 1.821) 7.156 5.429 ( 0.000 -11.064 -11.786) 16.165 5.748 ( 0.000 1.859 -7.488) 7.715 5.832 ( 0.000 -3.914 -4.079) 5.654 5.911 ( 0.000 5.694 -9.794) 11.329 6.009 ( 0.000 14.764 -2.910) 15.048 6.304 ( 0.000 13.310 -4.874) 14.175 6.408 ( 0.000 10.327 -15.657) 18.756 7.039 ( 0.000 -13.480 6.290) 14.875 7.113 ( 0.000 -3.040 0.463) 3.075 7.525 ( 0.000 8.586 1.759) 8.764 7.765 ( 0.000 4.186 -10.269) 11.089 9.041 ( 0.000 -4.013 -3.576) 5.375 9.081 ( 0.000 -4.499 -5.984) 7.486 9.509 ( 0.000 13.922 -3.029) 14.248 9.568 ( 0.000 9.223 -4.385) 10.212 9.670 ( 0.000 -1.587 0.980) 1.866 9.834 ( 0.000 -5.280 -5.361) 7.524 10.738 ( 0.000 -6.277 2.981) 6.949 10.865 ( 0.000 -11.860 -3.417) 12.342 11.087 ( 0.000 -5.945 -6.997) 9.181 11.123 ( 0.000 -2.073 -9.024) 9.259 11.494 ( 0.000 3.274 -0.075) 3.275 11.563 ( 0.000 -8.200 -6.073) 10.204 11.683 ( 0.000 -12.571 6.108) 13.976 11.769 ( 0.000 -12.205 -0.429) 12.213 12.133 ( 0.000 14.146 -0.927) 14.177 12.135 ( 0.000 6.088 3.961) 7.264 12.247 ( 0.000 3.253 -2.914) 4.368 12.273 ( 0.000 6.483 0.185) 6.486 12.619 ( 0.000 -10.940 5.451) 12.223 12.668 ( 0.000 -6.525 4.698) 8.041 13.117 ( 0.000 8.213 1.812) 8.410 13.156 ( 0.000 3.567 1.509) 3.873 13.316 ( 0.000 6.271 0.717) 6.312 13.578 ( 0.000 8.553 -7.602) 11.443 13.731 ( 0.000 -5.691 1.743) 5.952 13.764 ( 0.000 -1.936 0.883) 2.128 13.881 ( 0.000 -2.333 -3.424) 4.143 13.888 ( 0.000 -9.779 -4.380) 10.715 14.275 ( 0.000 4.253 2.849) 5.119 14.293 ( 0.000 4.822 -0.239) 4.828 14.623 ( 0.000 -3.310 7.745) 8.423 14.702 ( 0.000 2.929 1.573) 3.325 14.707 ( 0.000 2.152 0.850) 2.314 14.899 ( 0.000 -3.537 0.948) 3.662 14.970 ( 0.000 -2.403 6.299) 6.742 15.098 ( 0.000 -16.294 -1.111) 16.332 15.272 ( 0.000 -9.193 -0.241) 9.196 15.356 ( 0.000 -8.910 -1.320) 9.007 15.592 ( 0.000 8.160 3.177) 8.756 15.634 ( 0.000 3.617 3.143) 4.792 15.906 ( 0.000 11.830 4.368) 12.611 16.212 ( 0.000 21.892 -8.673) 23.547 16.359 ( 0.000 1.940 7.563) 7.808 16.623 ( 0.000 -4.169 -2.197) 4.713 17.575 ( 0.000 -1.262 1.763) 2.168 17.586 ( 0.000 -2.837 1.806) 3.363 17.787 ( 0.000 -14.831 5.017) 15.657 17.808 ( 0.000 -10.141 5.096) 11.349 18.079 ( 0.000 -7.739 2.113) 8.022 18.204 ( 0.000 -3.374 -1.606) 3.736 18.265 ( 0.000 5.558 3.807) 6.737 18.452 ( 0.000 0.756 8.819) 8.852 18.571 ( 0.000 1.345 -9.138) 9.237 18.732 ( 0.000 -4.881 -1.574) 5.129 18.870 ( 0.000 5.989 5.540) 8.158 18.956 ( 0.000 8.549 1.881) 8.753 27.588 ( 0.000 0.799 1.242) 1.477 27.597 ( 0.000 0.612 0.581) 0.843 27.645 ( 0.000 0.255 3.663) 3.672 27.759 ( 0.000 -0.011 -1.443) 1.443 29.958 ( 0.000 -4.308 6.488) 7.789 30.105 ( 0.000 0.879 5.002) 5.078 30.155 ( 0.000 -3.217 -0.391) 3.240 30.174 ( 0.000 3.441 5.958) 6.880 30.254 ( 0.000 -8.597 -4.391) 9.654 30.466 ( 0.000 7.584 -6.845) 10.216 30.592 ( 0.000 9.498 8.011) 12.425 30.827 ( 0.000 13.385 -3.182) 13.758 31.248 ( 0.000 -4.673 13.649) 14.427 31.949 ( 0.000 -4.669 -18.221) 18.810 32.065 ( 0.000 -2.047 16.659) 16.785 32.634 ( 0.000 -4.654 -12.138) 13.000 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 8.318 3.010 20.601) 22.420 3.378 ( 5.807 -4.972 16.088) 17.812 3.709 ( 5.163 3.044 16.140) 17.217 3.910 ( 1.911 11.943 7.634) 14.303 4.255 ( 5.071 -0.654 -1.704) 5.389 4.319 ( 2.288 -0.406 7.759) 8.100 4.440 ( 2.609 -0.861 -6.196) 6.777 4.599 ( -8.012 3.803 -5.290) 10.326 4.909 ( -2.183 14.768 -0.710) 14.945 4.972 ( 4.426 11.513 3.164) 12.734 5.082 ( -1.216 12.480 6.149) 13.966 5.226 ( 1.969 8.918 -1.770) 9.303 5.401 ( 3.054 -6.841 1.736) 7.691 5.460 ( 3.979 -8.567 -9.836) 13.637 5.710 ( -3.265 1.172 -8.680) 9.347 5.797 ( -1.941 -0.713 1.148) 2.365 5.907 ( -1.499 8.407 -10.737) 13.719 6.080 ( 6.271 7.367 -2.449) 9.980 6.297 ( -0.743 13.301 -3.123) 13.683 6.423 ( 1.008 10.177 -13.679) 17.080 6.893 ( -13.659 -9.477 6.217) 17.749 7.026 ( -10.012 -2.733 0.472) 10.389 7.504 ( -0.738 6.625 -0.944) 6.733 7.726 ( -3.798 4.574 -11.294) 12.763 9.069 ( 2.743 -2.186 -2.867) 4.531 9.093 ( 1.318 -1.595 -4.853) 5.276 9.466 ( -3.054 7.995 -3.276) 9.164 9.494 ( -4.831 0.601 -2.972) 5.704 9.725 ( 3.595 6.321 -1.416) 7.408 9.807 ( -2.641 -0.027 -4.177) 4.942 10.586 ( -13.311 -1.573 3.034) 13.743 10.758 ( -10.001 -7.508 -5.759) 13.768 11.164 ( 4.978 -2.642 -4.368) 7.130 11.191 ( 7.476 -6.500 -6.884) 12.063 11.521 ( 1.245 0.663 -4.416) 4.635 11.567 ( 1.626 -7.878 -7.817) 11.217 11.722 ( 4.306 -13.949 5.259) 15.517 11.826 ( 4.169 -11.694 0.154) 12.416 12.009 ( -6.513 1.005 2.710) 7.126 12.081 ( -5.439 0.369 -1.141) 5.570 12.313 ( 5.777 11.587 1.057) 12.990 12.380 ( 4.906 8.864 -0.600) 10.149 12.637 ( 4.184 -7.357 8.047) 11.678 12.796 ( 9.031 -5.572 2.128) 10.823 13.107 ( 0.674 7.011 2.893) 7.614 13.198 ( 2.227 0.769 -0.470) 2.402 13.319 ( 2.195 1.577 2.641) 3.779 13.612 ( 1.762 10.050 -8.311) 13.160 13.660 ( -7.117 -1.554 2.542) 7.715 13.729 ( -2.571 -4.767 -1.254) 5.559 13.901 ( 5.720 -5.526 1.205) 8.044 14.012 ( 6.702 -5.158 -5.195) 9.926 14.220 ( -2.027 4.821 4.985) 7.225 14.355 ( 2.415 3.974 -0.093) 4.651 14.536 ( -7.005 -3.071 4.171) 8.712 14.572 ( -8.104 -1.418 0.906) 8.276 14.673 ( -4.878 2.697 2.379) 6.060 14.732 ( -9.776 0.576 5.391) 11.179 15.067 ( 2.855 -8.905 2.311) 9.633 15.142 ( 4.007 -12.430 -2.433) 13.285 15.332 ( 4.437 -5.822 -0.495) 7.337 15.360 ( 0.291 -5.111 0.392) 5.134 15.532 ( -4.704 6.626 1.013) 8.189 15.595 ( -4.121 3.386 1.956) 5.681 15.914 ( 0.709 13.588 4.794) 14.426 16.149 ( -4.917 17.473 -2.815) 18.369 16.515 ( 13.285 1.889 4.517) 14.159 16.736 ( 10.046 -3.820 -2.649) 11.070 17.581 ( 0.697 -1.139 2.324) 2.680 17.611 ( 2.463 -3.590 1.718) 4.681 17.781 ( -0.834 -14.469 5.228) 15.407 17.798 ( -0.977 -11.254 4.849) 12.293 18.059 ( -2.484 -4.766 3.757) 6.557 18.178 ( -1.065 -2.668 -1.583) 3.280 18.248 ( -2.125 3.226 -1.009) 3.993 18.458 ( -8.818 1.023 -6.999) 11.304 18.509 ( 4.157 2.678 9.229) 10.470 18.769 ( 3.207 -2.966 -1.449) 4.602 18.830 ( -3.611 5.873 6.824) 9.701 18.960 ( -0.464 6.225 -0.043) 6.243 27.583 ( 0.038 0.805 1.725) 1.904 27.617 ( 1.387 0.708 0.637) 1.683 27.637 ( -0.535 0.265 2.985) 3.044 27.745 ( -1.462 0.047 -1.375) 2.008 29.973 ( 1.500 -3.913 6.344) 7.603 30.095 ( -1.461 0.537 5.499) 5.715 30.140 ( 0.603 -3.183 1.786) 3.699 30.224 ( 1.745 -0.823 1.872) 2.688 30.264 ( 2.291 -4.074 -1.545) 4.922 30.443 ( -1.872 5.553 -2.973) 6.570 30.608 ( 1.237 11.404 3.826) 12.092 30.789 ( -3.719 13.348 -2.601) 14.099 31.305 ( 5.809 -4.477 12.017) 14.078 31.833 ( -8.590 -3.030 -2.967) 9.580 32.176 ( 7.952 -4.008 0.953) 8.956 32.594 ( -4.116 -4.806 -11.558) 13.177 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 4.769 -4.393 9.081) 11.158 3.477 ( 1.864 -1.677 10.753) 11.041 3.835 ( 7.600 6.891 18.642) 21.279 3.948 ( -1.377 16.077 22.110) 27.372 4.225 ( 1.989 -7.569 2.677) 8.271 4.358 ( -8.165 1.576 5.053) 9.731 4.577 ( 5.908 0.795 -8.045) 10.013 4.584 ( 11.183 -0.261 -0.410) 11.194 4.808 ( -3.772 14.603 -1.671) 15.174 4.924 ( -9.473 7.083 -2.624) 12.116 5.162 ( 6.575 12.549 0.836) 14.192 5.238 ( -1.041 9.242 -2.062) 9.527 5.500 ( 6.470 -4.903 -3.635) 8.894 5.586 ( 8.687 -6.895 -12.751) 16.900 5.618 ( -5.776 -1.570 -12.745) 14.080 5.768 ( -8.079 -5.581 -7.381) 12.284 5.907 ( 10.093 9.603 12.895) 18.983 6.154 ( -7.429 5.549 8.927) 12.872 6.300 ( 6.125 14.912 -2.940) 16.386 6.415 ( -2.870 12.898 -8.706) 15.824 6.653 ( -5.437 -3.526 -0.813) 6.531 6.766 ( -14.038 -3.575 -0.974) 14.519 7.536 ( 3.980 5.146 -7.357) 9.820 7.633 ( -5.516 4.977 -11.466) 13.663 9.122 ( 2.316 1.789 -2.262) 3.699 9.133 ( 1.748 0.791 -1.934) 2.724 9.417 ( -1.482 -3.155 -4.252) 5.499 9.430 ( -1.959 -1.427 -3.617) 4.354 9.755 ( 1.082 9.109 -0.509) 9.187 9.793 ( -0.328 10.416 -0.913) 10.461 10.390 ( -2.860 0.600 -1.373) 3.229 10.515 ( -12.951 -1.087 -6.595) 14.574 11.275 ( 5.158 -6.422 -2.505) 8.609 11.305 ( 2.761 -7.758 -4.742) 9.503 11.552 ( 2.140 -2.281 -6.828) 7.510 11.586 ( -0.610 -3.953 -9.085) 9.927 11.819 ( 4.807 -12.470 3.511) 13.818 11.896 ( 0.200 -12.009 1.297) 12.080 11.907 ( -0.825 -5.715 2.278) 6.207 11.987 ( -4.698 -5.863 -1.433) 7.648 12.399 ( 3.055 12.832 1.381) 13.262 12.428 ( 0.258 10.898 0.525) 10.914 12.760 ( 7.521 -2.105 5.779) 9.716 12.875 ( -2.627 0.548 0.155) 2.688 13.202 ( 9.789 -2.672 5.427) 11.508 13.269 ( 4.785 -8.109 2.990) 9.879 13.363 ( 0.364 -4.810 1.976) 5.213 13.458 ( -11.363 -1.587 1.214) 11.537 13.651 ( 1.362 10.362 -5.022) 11.595 13.684 ( -2.390 5.566 -2.347) 6.496 14.017 ( 5.621 -5.051 0.576) 7.579 14.091 ( -0.433 -4.150 -3.641) 5.538 14.220 ( 3.032 2.652 7.527) 8.538 14.321 ( -5.453 2.328 4.612) 7.512 14.450 ( -0.777 -2.458 2.385) 3.512 14.485 ( -3.339 -2.789 2.331) 4.936 14.578 ( -0.523 2.276 0.546) 2.399 14.615 ( -3.419 2.639 1.367) 4.530 15.098 ( 1.861 -9.909 0.716) 10.107 15.158 ( -3.042 -11.336 -0.930) 11.774 15.385 ( 3.004 -0.630 -3.884) 4.951 15.410 ( 3.640 0.588 1.796) 4.102 15.451 ( -3.681 3.118 -2.705) 5.530 15.496 ( -5.293 3.359 1.600) 6.469 15.952 ( 3.575 14.197 5.203) 15.537 16.044 ( -5.671 14.778 2.147) 15.974 16.778 ( 11.925 -0.955 3.262) 12.400 16.885 ( 2.168 -3.237 -1.125) 4.055 17.615 ( 3.174 -2.804 3.562) 5.533 17.662 ( 0.985 -4.917 3.314) 6.011 17.750 ( -0.990 -13.036 3.795) 13.613 17.775 ( -1.588 -13.821 4.447) 14.605 18.027 ( 1.352 0.568 1.455) 2.066 18.131 ( -6.818 0.557 -4.467) 8.170 18.218 ( 1.481 -0.302 -2.411) 2.846 18.288 ( -6.211 2.544 -4.210) 7.923 18.619 ( 6.350 2.968 9.417) 11.739 18.736 ( -5.644 3.987 8.484) 10.942 18.847 ( 4.295 0.483 -1.474) 4.566 18.923 ( -3.270 3.260 -1.238) 4.780 27.591 ( 0.810 0.835 2.465) 2.725 27.611 ( -1.153 0.762 3.102) 3.396 27.662 ( 2.303 0.313 -0.593) 2.398 27.708 ( -2.305 0.188 -1.118) 2.569 30.011 ( 2.306 -2.718 5.875) 6.871 30.056 ( -2.343 -1.140 5.425) 6.018 30.172 ( 2.259 -4.808 1.977) 5.668 30.213 ( -1.792 -5.713 0.645) 6.022 30.342 ( 4.303 3.141 2.076) 5.718 30.405 ( -2.314 4.092 0.802) 4.769 30.637 ( 2.244 12.894 -0.316) 13.092 30.704 ( -4.525 13.217 -1.814) 14.087 31.457 ( 9.601 -3.678 8.196) 13.148 31.651 ( -10.174 -2.890 3.592) 11.170 32.334 ( 8.332 -4.951 -6.011) 11.405 32.484 ( -7.061 -5.063 -9.691) 13.016 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 0.000 -3.234 10.492) 10.979 3.446 ( 0.000 14.529 18.643) 23.636 3.672 ( 0.000 0.981 12.408) 12.447 3.924 ( 0.000 -8.492 -18.966) 20.781 4.230 ( 0.000 4.919 -3.332) 5.941 4.313 ( 0.000 -2.590 0.752) 2.697 4.514 ( 0.000 7.438 10.971) 13.254 4.830 ( 0.000 5.262 9.956) 11.261 5.103 ( 0.000 -3.209 -2.545) 4.096 5.148 ( 0.000 5.983 -9.926) 11.589 5.297 ( 0.000 3.568 -3.967) 5.335 5.328 ( 0.000 6.851 8.965) 11.283 5.417 ( 0.000 6.478 -4.884) 8.113 5.467 ( 0.000 22.181 -2.830) 22.361 5.833 ( 0.000 13.487 14.019) 19.454 5.888 ( 0.000 9.944 -9.763) 13.936 6.182 ( 0.000 14.639 -1.635) 14.730 6.320 ( 0.000 15.416 0.432) 15.422 6.546 ( 0.000 0.542 -16.706) 16.715 6.578 ( 0.000 11.962 -9.422) 15.227 6.769 ( 0.000 -9.157 9.325) 13.069 7.062 ( 0.000 -2.397 -5.171) 5.700 7.664 ( 0.000 3.163 0.878) 3.282 7.749 ( 0.000 -5.802 -5.998) 8.346 9.018 ( 0.000 -0.190 -5.189) 5.192 9.064 ( 0.000 6.162 -6.470) 8.935 9.579 ( 0.000 -2.268 -0.528) 2.328 9.649 ( 0.000 -3.386 -3.323) 4.744 9.907 ( 0.000 15.459 -1.648) 15.546 9.918 ( 0.000 20.958 -3.256) 21.209 10.556 ( 0.000 -10.973 -1.664) 11.098 10.591 ( 0.000 -13.079 -4.025) 13.684 10.966 ( 0.000 -5.708 -4.683) 7.384 11.049 ( 0.000 -5.434 -10.101) 11.470 11.271 ( 0.000 -13.930 0.532) 13.940 11.395 ( 0.000 -16.521 -3.373) 16.862 11.598 ( 0.000 -0.833 4.156) 4.238 11.672 ( 0.000 8.590 0.853) 8.632 12.178 ( 0.000 -8.460 2.316) 8.772 12.224 ( 0.000 -9.584 -0.529) 9.599 12.308 ( 0.000 1.587 1.726) 2.345 12.370 ( 0.000 7.688 -2.333) 8.034 12.431 ( 0.000 -3.837 12.252) 12.839 12.672 ( 0.000 3.484 3.047) 4.628 13.169 ( 0.000 -0.732 6.563) 6.604 13.175 ( 0.000 -1.780 8.350) 8.538 13.433 ( 0.000 3.944 -4.359) 5.878 13.559 ( 0.000 -9.387 -1.884) 9.575 13.632 ( 0.000 1.384 -0.300) 1.416 13.767 ( 0.000 2.307 -0.908) 2.480 13.861 ( 0.000 5.504 -7.747) 9.503 13.981 ( 0.000 8.174 -3.191) 8.775 14.293 ( 0.000 -3.203 0.258) 3.213 14.371 ( 0.000 3.781 -2.076) 4.314 14.553 ( 0.000 -2.747 1.182) 2.991 14.675 ( 0.000 -6.259 -0.329) 6.268 14.766 ( 0.000 1.733 3.216) 3.653 14.808 ( 0.000 -5.021 0.362) 5.034 14.904 ( 0.000 -4.427 -0.796) 4.498 14.918 ( 0.000 1.174 -1.202) 1.680 15.110 ( 0.000 -6.715 3.922) 7.776 15.207 ( 0.000 -4.332 3.254) 5.418 15.727 ( 0.000 5.167 4.046) 6.563 15.742 ( 0.000 6.167 3.123) 6.913 16.123 ( 0.000 8.259 7.687) 11.283 16.408 ( 0.000 2.593 4.929) 5.570 16.472 ( 0.000 -4.222 -0.952) 4.328 16.624 ( 0.000 10.174 -7.812) 12.827 17.460 ( 0.000 -14.381 5.275) 15.317 17.493 ( 0.000 -5.768 2.425) 6.257 17.566 ( 0.000 0.244 0.805) 0.842 17.580 ( 0.000 -9.365 0.801) 9.399 17.989 ( 0.000 -1.341 3.727) 3.961 18.120 ( 0.000 -4.501 0.704) 4.555 18.387 ( 0.000 5.830 3.395) 6.746 18.440 ( 0.000 -1.377 1.485) 2.026 18.605 ( 0.000 -6.777 -0.492) 6.795 18.610 ( 0.000 1.907 -4.718) 5.088 18.988 ( 0.000 4.883 6.329) 7.994 19.097 ( 0.000 4.574 1.272) 4.747 27.608 ( 0.000 1.077 1.167) 1.588 27.613 ( 0.000 0.946 0.788) 1.231 27.660 ( 0.000 1.264 3.041) 3.294 27.758 ( 0.000 -0.178 -1.287) 1.299 29.889 ( 0.000 -2.289 3.643) 4.302 30.039 ( 0.000 -6.715 -2.995) 7.353 30.113 ( 0.000 -0.060 3.360) 3.360 30.160 ( 0.000 -1.709 1.241) 2.112 30.273 ( 0.000 6.235 9.400) 11.280 30.650 ( 0.000 9.249 -6.351) 11.220 30.806 ( 0.000 10.289 10.039) 14.375 31.060 ( 0.000 3.564 4.717) 5.912 31.145 ( 0.000 0.273 4.648) 4.656 31.813 ( 0.000 -8.288 -18.388) 20.169 32.029 ( 0.000 -0.781 12.375) 12.400 32.507 ( 0.000 -7.379 -10.691) 12.991 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 5.754 -2.332 8.844) 10.806 3.515 ( 4.190 11.203 10.886) 16.173 3.727 ( 5.576 0.624 11.842) 13.104 3.982 ( 7.095 -6.262 -11.519) 14.908 4.274 ( -3.121 0.850 6.117) 6.920 4.339 ( 9.199 2.864 -1.356) 9.729 4.507 ( -0.245 5.248 10.987) 12.178 4.738 ( -7.008 6.668 8.428) 12.830 5.070 ( -4.511 -4.444 -4.152) 7.573 5.127 ( -3.282 2.292 -4.729) 6.195 5.301 ( 2.506 3.570 -4.118) 5.999 5.351 ( 2.360 8.263 0.727) 8.624 5.456 ( 1.873 10.130 -15.710) 18.787 5.479 ( 1.852 16.165 7.700) 18.001 5.789 ( -4.041 8.359 -3.882) 10.063 5.895 ( -0.205 12.776 4.204) 13.451 6.155 ( -3.200 13.243 -2.712) 13.892 6.332 ( 2.725 13.934 1.727) 14.302 6.525 ( -3.681 -2.631 -8.066) 9.248 6.563 ( -0.600 9.151 -7.807) 12.044 6.707 ( -4.797 -1.302 6.154) 7.911 7.032 ( -4.908 2.160 -6.836) 8.688 7.599 ( -3.115 0.990 1.313) 3.523 7.756 ( -0.870 -1.662 -7.344) 7.580 9.077 ( 5.606 1.857 -4.363) 7.342 9.113 ( 4.583 5.926 -5.421) 9.247 9.509 ( -5.354 1.689 -1.850) 5.911 9.578 ( -5.954 1.446 -4.668) 7.703 9.941 ( 1.334 15.234 -2.045) 15.428 9.945 ( 3.821 13.895 -1.296) 14.468 10.491 ( -6.736 -7.461 -1.657) 10.187 10.570 ( -2.803 -9.588 -5.253) 11.287 11.012 ( 3.737 -9.679 -3.528) 10.959 11.063 ( 1.110 -8.860 -7.571) 11.707 11.332 ( 6.016 -10.271 -0.040) 11.903 11.463 ( 6.979 -12.843 -3.983) 15.150 11.576 ( -0.755 -0.843 3.409) 3.592 11.683 ( -0.577 3.719 -2.055) 4.288 12.012 ( -12.623 -2.384 2.378) 13.064 12.089 ( -11.061 -2.473 -1.472) 11.429 12.360 ( 7.180 -8.034 3.602) 11.361 12.377 ( 5.193 -5.569 3.370) 8.327 12.636 ( 8.737 5.389 8.351) 13.233 12.744 ( 6.100 -1.265 4.494) 7.681 13.131 ( -2.081 -3.565 5.220) 6.655 13.181 ( -0.248 -2.370 3.771) 4.460 13.332 ( -7.060 1.740 0.215) 7.275 13.598 ( -3.059 -3.979 -3.640) 6.200 13.679 ( 5.099 1.648 1.334) 5.522 13.773 ( 2.017 2.201 -1.625) 3.399 13.889 ( 3.699 4.628 -3.360) 6.811 14.011 ( 1.985 4.686 -5.588) 7.558 14.276 ( -1.457 -1.158 0.516) 1.931 14.354 ( -2.233 -2.016 -2.980) 4.234 14.504 ( -2.903 0.892 4.217) 5.197 14.548 ( -8.339 -1.308 1.708) 8.612 14.689 ( -2.813 -1.094 -0.324) 3.035 14.764 ( -6.956 1.031 0.578) 7.055 14.911 ( 0.761 -4.145 0.227) 4.221 14.977 ( 2.538 -3.120 -1.904) 4.450 15.201 ( 7.331 -6.083 1.854) 9.705 15.294 ( 7.543 -2.078 1.532) 7.973 15.659 ( -6.819 5.300 1.844) 8.830 15.679 ( -4.699 4.303 2.851) 6.980 16.164 ( 2.884 10.051 8.101) 13.228 16.428 ( -1.565 7.052 2.702) 7.713 16.545 ( 7.906 -0.850 1.248) 8.049 16.664 ( 5.937 -0.650 -2.667) 6.541 17.449 ( -0.826 -13.575 4.271) 14.255 17.510 ( 1.540 -6.247 2.244) 6.814 17.539 ( -2.097 -7.442 1.537) 7.884 17.597 ( 0.586 -3.094 0.143) 3.153 17.988 ( 0.174 -1.349 4.086) 4.307 18.130 ( 1.737 -1.975 -1.200) 2.891 18.322 ( -5.227 2.743 -0.384) 5.916 18.458 ( -5.300 -0.407 -4.238) 6.798 18.544 ( 3.890 0.439 6.315) 7.430 18.713 ( 5.870 -1.790 -1.283) 6.270 18.942 ( -4.495 4.516 6.698) 9.245 19.068 ( -3.116 3.510 0.397) 4.710 27.605 ( 0.187 1.267 1.601) 2.050 27.634 ( 1.611 0.769 0.313) 1.812 27.653 ( -0.733 1.323 2.903) 3.273 27.745 ( -1.293 -0.074 -1.177) 1.750 29.911 ( 2.200 -1.984 3.717) 4.753 30.029 ( -0.530 -5.538 -1.059) 5.664 30.109 ( -0.817 0.013 4.216) 4.295 30.156 ( -0.558 -1.997 1.805) 2.749 30.329 ( 5.328 5.547 6.810) 10.273 30.583 ( -4.295 7.232 -0.776) 8.447 30.853 ( 2.317 11.078 3.800) 11.938 31.021 ( -3.991 6.000 1.864) 7.443 31.211 ( 7.118 -1.509 6.986) 10.087 31.759 ( -5.667 -3.703 -9.694) 11.824 32.074 ( 4.677 -5.125 3.705) 7.865 32.461 ( -4.579 -7.709 -10.270) 13.633 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 7.673 -0.086 3.014) 8.244 3.511 ( -4.447 4.034 -0.049) 6.004 3.878 ( 9.878 -0.353 10.937) 14.742 4.068 ( -7.139 -4.567 3.499) 9.169 4.278 ( 11.087 9.094 17.410) 22.556 4.461 ( -4.338 3.968 13.182) 14.433 4.567 ( 8.859 1.381 2.787) 9.389 4.651 ( -1.222 3.437 2.501) 4.423 4.956 ( -4.347 -2.242 -4.314) 6.522 5.013 ( -7.715 2.165 -3.014) 8.561 5.399 ( 3.202 9.928 -8.441) 13.419 5.431 ( 6.731 5.606 -7.801) 11.731 5.452 ( 1.354 -0.578 -12.644) 12.729 5.534 ( 1.871 9.101 1.922) 9.488 5.706 ( -3.203 8.911 -8.927) 13.013 5.788 ( -10.678 6.860 -7.571) 14.778 6.164 ( 5.840 14.008 10.949) 18.714 6.322 ( -8.510 8.058 7.715) 14.031 6.505 ( 6.710 -0.214 5.406) 8.619 6.564 ( 0.135 0.816 -4.667) 4.740 6.661 ( 1.403 12.995 -6.350) 14.531 6.838 ( -13.649 10.652 -6.112) 18.361 7.616 ( 4.121 1.668 -3.006) 5.367 7.705 ( -4.206 1.380 -7.239) 8.485 9.190 ( 4.507 4.658 -3.150) 7.206 9.201 ( 3.201 6.268 -3.319) 7.781 9.436 ( -1.281 4.910 -4.298) 6.650 9.472 ( -4.429 4.860 -5.545) 8.601 9.979 ( 3.149 12.689 0.307) 13.078 10.017 ( 1.625 12.237 0.162) 12.345 10.367 ( -2.524 -2.942 -4.167) 5.691 10.455 ( -8.405 -4.016 -7.044) 11.679 11.074 ( 2.290 -13.340 -2.850) 13.832 11.087 ( 0.886 -13.409 -4.380) 14.134 11.472 ( 7.552 -4.332 -0.965) 8.760 11.572 ( -1.233 -0.263 -1.056) 1.645 11.619 ( 6.535 -9.285 -2.654) 11.660 11.648 ( -1.069 -4.150 -1.411) 4.511 11.816 ( -5.563 -4.743 2.460) 7.714 11.887 ( -9.405 -5.315 -1.850) 10.960 12.485 ( 5.401 -4.482 5.631) 8.999 12.524 ( 4.271 -4.850 3.214) 7.218 12.714 ( 6.489 -1.802 8.700) 11.002 12.865 ( -0.373 -2.479 1.236) 2.795 13.066 ( -1.396 -5.047 4.320) 6.789 13.152 ( -4.777 -1.226 2.410) 5.489 13.284 ( 4.471 -3.750 3.974) 7.060 13.436 ( -10.061 -1.429 -1.471) 10.268 13.790 ( 4.263 3.606 2.328) 6.049 13.818 ( 1.114 2.087 0.648) 2.453 13.967 ( 3.934 1.182 -4.371) 5.998 14.022 ( -1.229 -0.493 -5.886) 6.033 14.253 ( -0.105 0.381 0.911) 0.993 14.293 ( -3.855 -3.307 -0.252) 5.085 14.455 ( 1.419 2.663 3.388) 4.537 14.503 ( -1.237 4.678 3.135) 5.765 14.633 ( -1.612 2.481 -1.520) 3.326 14.661 ( -3.281 2.231 -2.215) 4.544 14.928 ( 1.256 -5.914 0.125) 6.048 14.966 ( -2.354 -6.898 -0.045) 7.289 15.353 ( 7.659 -1.470 -2.071) 8.069 15.423 ( 4.258 0.398 -2.417) 4.912 15.530 ( -5.064 3.442 1.942) 6.424 15.573 ( -5.736 3.628 1.671) 6.989 16.229 ( 4.351 11.679 7.535) 14.563 16.334 ( -6.287 11.787 3.889) 13.913 16.727 ( 8.331 -4.056 4.235) 10.188 16.782 ( 3.195 -6.539 2.259) 7.620 17.443 ( 0.655 -12.913 3.331) 13.352 17.485 ( -3.285 -10.830 2.616) 11.616 17.547 ( 2.221 -5.709 1.008) 6.208 17.587 ( -1.609 -3.927 0.084) 4.245 18.030 ( 5.035 1.025 1.742) 5.425 18.156 ( -4.528 1.646 -3.937) 6.222 18.228 ( 1.002 0.770 -0.727) 1.458 18.325 ( -6.685 1.003 -3.812) 7.760 18.668 ( 7.396 1.896 7.902) 10.988 18.793 ( -2.814 1.550 5.638) 6.489 18.871 ( 2.645 1.432 1.119) 3.209 18.980 ( -5.839 1.635 -0.623) 6.096 27.616 ( 0.852 1.445 2.122) 2.704 27.635 ( -1.064 1.475 2.576) 3.154 27.671 ( 2.135 0.464 -0.323) 2.209 27.712 ( -2.063 0.179 -0.846) 2.237 29.965 ( 3.218 -1.334 3.602) 5.011 30.016 ( -1.539 -2.438 2.051) 3.538 30.096 ( 0.376 -2.349 3.621) 4.332 30.128 ( -2.200 -2.753 2.699) 4.439 30.443 ( 5.578 5.951 4.552) 9.341 30.520 ( -2.835 6.469 2.454) 7.477 30.879 ( 1.307 8.725 1.082) 8.889 30.932 ( -4.358 6.873 0.659) 8.165 31.395 ( 11.162 -0.168 4.754) 12.133 31.605 ( -10.083 -0.141 -0.441) 10.094 32.195 ( 7.524 -8.278 -4.997) 12.252 32.343 ( -7.416 -8.382 -8.758) 14.211 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 0.000 4.845 3.342) 5.886 3.663 ( 0.000 -13.254 -9.110) 16.083 3.728 ( 0.000 4.322 3.167) 5.359 3.748 ( 0.000 10.277 -2.503) 10.578 4.291 ( 0.000 2.389 0.669) 2.481 4.339 ( 0.000 5.391 -0.326) 5.401 4.530 ( 0.000 -2.331 0.800) 2.465 4.916 ( 0.000 -18.077 -12.267) 21.846 4.939 ( 0.000 2.084 15.304) 15.445 5.010 ( 0.000 -4.003 4.111) 5.738 5.503 ( 0.000 14.716 11.990) 18.982 5.554 ( 0.000 14.298 5.109) 15.183 5.725 ( 0.000 10.779 3.833) 11.441 5.920 ( 0.000 17.402 -6.398) 18.541 6.071 ( 0.000 7.594 9.758) 12.365 6.084 ( 0.000 8.461 -10.358) 13.375 6.375 ( 0.000 -4.492 -15.934) 16.555 6.549 ( 0.000 14.067 15.466) 20.907 6.575 ( 0.000 5.988 -6.828) 9.081 6.747 ( 0.000 4.235 -3.402) 5.432 6.754 ( 0.000 3.968 -1.857) 4.381 6.994 ( 0.000 -4.392 -4.317) 6.159 7.597 ( 0.000 -6.651 -8.336) 10.664 7.634 ( 0.000 -4.840 -6.118) 7.801 9.116 ( 0.000 9.530 -1.800) 9.698 9.245 ( 0.000 10.064 -6.960) 12.236 9.516 ( 0.000 -4.727 -0.327) 4.738 9.568 ( 0.000 -4.433 -2.895) 5.294 10.313 ( 0.000 20.283 0.343) 20.286 10.339 ( 0.000 7.758 -5.863) 9.724 10.343 ( 0.000 -6.866 -4.171) 8.034 10.396 ( 0.000 2.453 -3.600) 4.356 10.768 ( 0.000 -10.461 -3.137) 10.922 10.863 ( 0.000 -6.447 -7.439) 9.844 11.191 ( 0.000 4.384 -1.267) 4.564 11.203 ( 0.000 -3.933 -1.553) 4.229 11.525 ( 0.000 -9.181 6.418) 11.202 11.673 ( 0.000 -17.558 0.457) 17.564 11.979 ( 0.000 0.765 0.968) 1.234 11.995 ( 0.000 -9.338 0.153) 9.339 12.268 ( 0.000 -1.894 8.870) 9.070 12.446 ( 0.000 0.330 -1.938) 1.966 12.457 ( 0.000 2.141 6.229) 6.587 12.645 ( 0.000 -6.699 -1.349) 6.833 13.131 ( 0.000 -0.570 11.587) 11.601 13.178 ( 0.000 0.525 14.262) 14.272 13.447 ( 0.000 0.516 -3.162) 3.204 13.552 ( 0.000 7.535 -6.182) 9.747 13.671 ( 0.000 -0.801 -0.316) 0.861 13.765 ( 0.000 -1.739 3.567) 3.968 13.970 ( 0.000 3.682 -9.574) 10.258 14.145 ( 0.000 -8.419 -0.440) 8.430 14.168 ( 0.000 9.490 -3.992) 10.296 14.467 ( 0.000 3.396 -10.813) 11.334 14.537 ( 0.000 2.752 1.694) 3.231 14.621 ( 0.000 0.793 -0.639) 1.018 14.693 ( 0.000 -7.839 2.896) 8.356 14.713 ( 0.000 -3.287 -1.212) 3.503 14.820 ( 0.000 -3.203 0.210) 3.210 14.891 ( 0.000 -7.094 -2.578) 7.548 15.086 ( 0.000 5.173 7.527) 9.133 15.194 ( 0.000 1.399 4.822) 5.021 15.824 ( 0.000 3.663 4.914) 6.129 15.837 ( 0.000 3.000 4.532) 5.435 16.225 ( 0.000 1.960 5.761) 6.085 16.346 ( 0.000 -6.016 2.294) 6.439 16.468 ( 0.000 3.653 2.138) 4.233 16.695 ( 0.000 -3.703 -6.010) 7.059 17.255 ( 0.000 -4.512 7.380) 8.650 17.371 ( 0.000 -6.139 5.529) 8.262 17.512 ( 0.000 2.598 -5.452) 6.039 17.591 ( 0.000 1.352 -3.145) 3.424 17.983 ( 0.000 0.081 3.936) 3.937 18.033 ( 0.000 -3.555 2.924) 4.604 18.414 ( 0.000 -0.866 -0.959) 1.292 18.478 ( 0.000 -4.089 -2.403) 4.743 18.501 ( 0.000 4.306 3.833) 5.765 18.629 ( 0.000 -0.348 -2.996) 3.016 19.066 ( 0.000 2.939 6.346) 6.994 19.142 ( 0.000 0.078 2.627) 2.628 27.629 ( 0.000 0.845 1.194) 1.463 27.631 ( 0.000 0.714 1.012) 1.239 27.693 ( 0.000 1.795 1.755) 2.511 27.750 ( 0.000 -0.701 -0.698) 0.989 29.862 ( 0.000 -0.412 1.593) 1.645 29.927 ( 0.000 -4.048 -1.318) 4.257 30.111 ( 0.000 0.070 2.502) 2.503 30.136 ( 0.000 -0.920 1.649) 1.889 30.424 ( 0.000 8.415 12.188) 14.811 30.760 ( 0.000 -2.082 6.302) 6.636 30.982 ( 0.000 6.365 10.781) 12.520 30.998 ( 0.000 0.552 4.422) 4.456 31.289 ( 0.000 6.948 -5.153) 8.651 31.622 ( 0.000 -9.876 -17.729) 20.294 32.059 ( 0.000 4.019 4.520) 6.048 32.345 ( 0.000 -8.130 -7.946) 11.368 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 7.098 5.297 2.626) 9.237 3.707 ( 2.855 -8.259 -11.083) 14.113 3.726 ( -0.247 6.758 -1.418) 6.910 3.841 ( 8.834 0.173 -0.749) 8.867 4.299 ( 1.355 4.172 5.136) 6.755 4.434 ( 8.638 5.387 -0.559) 10.195 4.523 ( 0.750 -1.838 5.589) 5.931 4.819 ( -9.689 1.679 18.048) 20.553 4.895 ( -2.693 -13.644 -6.233) 15.240 5.006 ( -0.440 -8.108 1.943) 8.349 5.433 ( -7.007 10.302 10.258) 16.139 5.589 ( 4.021 15.800 -2.321) 16.468 5.725 ( -3.285 4.846 4.345) 7.291 5.877 ( -3.671 17.551 -6.648) 19.123 5.969 ( -5.392 10.290 -8.158) 14.195 6.124 ( -1.526 7.619 -2.792) 8.256 6.285 ( -4.428 -3.960 -11.435) 12.886 6.487 ( -6.193 -0.323 3.657) 7.199 6.517 ( -3.256 8.664 4.533) 10.306 6.699 ( -5.338 2.405 -3.118) 6.634 6.855 ( 8.530 12.524 1.205) 15.201 7.090 ( 6.986 2.891 -7.311) 10.518 7.556 ( -1.370 -2.896 -1.932) 3.741 7.683 ( 2.191 -5.070 -7.114) 9.006 9.189 ( 6.922 9.045 -2.124) 11.586 9.287 ( 4.115 9.751 -5.767) 12.053 9.516 ( 0.255 -1.930 -1.232) 2.304 9.572 ( 0.073 -2.202 -3.560) 4.187 10.278 ( -3.365 10.574 -3.299) 11.576 10.316 ( 0.081 18.180 -1.373) 18.232 10.339 ( -1.175 -3.559 -4.121) 5.570 10.433 ( 2.746 -0.768 -4.207) 5.083 10.766 ( -0.025 -11.035 -3.523) 11.584 10.838 ( -2.471 -6.516 -6.897) 9.804 11.277 ( 7.157 -0.411 -0.767) 7.210 11.284 ( 7.809 -2.555 -0.535) 8.234 11.515 ( -0.545 -8.650 5.594) 10.316 11.653 ( -2.499 -13.096 -0.304) 13.336 11.884 ( -9.935 -5.211 1.770) 11.357 11.904 ( -8.769 -10.098 -0.076) 13.374 12.270 ( 4.424 2.612 5.061) 7.211 12.356 ( -0.369 2.227 1.313) 2.611 12.631 ( 4.006 -4.739 3.811) 7.282 12.687 ( 5.845 -4.630 0.934) 7.515 13.096 ( -4.563 -0.828 11.339) 12.250 13.109 ( -1.516 -2.620 10.692) 11.112 13.395 ( -7.797 3.832 -1.806) 8.873 13.566 ( -4.453 0.019 -4.008) 5.991 13.698 ( 4.036 -0.100 0.890) 4.134 13.780 ( 4.085 -0.409 3.094) 5.141 13.978 ( -0.237 3.124 -6.782) 7.471 14.110 ( -3.600 -2.143 -4.691) 6.289 14.193 ( 3.482 3.207 -0.459) 4.756 14.394 ( -4.369 3.318 -9.337) 10.829 14.485 ( -6.735 -3.985 4.119) 8.843 14.570 ( 2.350 4.764 3.579) 6.405 14.666 ( 0.609 -3.191 -4.752) 5.756 14.717 ( -1.839 -2.137 -4.217) 5.073 14.896 ( 2.007 0.317 2.197) 2.993 14.959 ( -0.161 -1.386 0.457) 1.468 15.141 ( 7.990 1.585 4.724) 9.417 15.261 ( 7.730 -1.341 2.109) 8.124 15.735 ( -8.347 2.235 2.606) 9.025 15.753 ( -6.386 2.316 2.624) 7.282 16.302 ( 5.734 3.429 8.279) 10.639 16.428 ( 6.199 -4.654 4.336) 8.882 16.522 ( 5.704 1.125 2.615) 6.375 16.663 ( -2.807 -2.545 -2.420) 4.496 17.253 ( -0.015 -4.258 5.518) 6.970 17.379 ( 0.933 -6.406 4.034) 7.628 17.458 ( -4.383 1.070 -3.792) 5.894 17.578 ( -2.365 -1.159 -3.848) 4.663 17.994 ( 2.492 1.754 4.393) 5.347 18.095 ( 5.024 -1.777 0.149) 5.331 18.354 ( -5.156 0.873 -1.348) 5.400 18.427 ( -4.601 -2.610 -3.030) 6.096 18.572 ( 6.033 2.912 4.579) 8.115 18.689 ( 5.529 -1.282 -1.300) 5.823 19.014 ( -5.240 2.757 6.352) 8.684 19.097 ( -4.513 -0.446 2.039) 4.972 27.631 ( 0.497 1.144 1.398) 1.873 27.647 ( 1.285 0.413 0.691) 1.516 27.686 ( -0.701 1.768 1.729) 2.570 27.739 ( -1.062 -0.583 -0.576) 1.342 29.888 ( 2.697 -0.326 2.112) 3.441 29.937 ( 1.301 -3.218 -0.002) 3.471 30.109 ( -1.074 0.086 3.473) 3.637 30.130 ( -0.936 -0.841 2.533) 2.829 30.462 ( 4.238 7.257 9.294) 12.530 30.694 ( -3.768 1.699 4.533) 6.134 30.970 ( -2.736 -1.788 5.225) 6.163 31.021 ( -0.271 1.626 8.165) 8.330 31.331 ( 6.208 9.208 -4.170) 11.862 31.675 ( 4.260 -5.413 -15.339) 16.815 32.019 ( -3.400 1.176 3.945) 5.339 32.291 ( -5.426 -8.602 -7.864) 12.856 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 9.952 6.328 -2.052) 11.971 3.626 ( -7.669 6.879 -9.566) 14.058 3.836 ( 7.325 -5.590 -0.691) 9.241 3.941 ( -1.228 -7.091 -6.175) 9.483 4.382 ( 8.185 3.483 14.698) 17.180 4.529 ( -0.567 2.775 11.574) 11.916 4.614 ( -1.574 0.864 10.774) 10.922 4.648 ( -0.840 -0.164 8.225) 8.270 4.864 ( 5.191 -3.817 2.225) 6.817 5.048 ( -1.059 -0.855 1.277) 1.866 5.273 ( -1.870 -5.438 0.921) 5.824 5.514 ( -17.025 -6.425 -0.084) 18.197 5.698 ( 6.504 16.201 -8.959) 19.622 5.805 ( -4.194 16.651 -10.292) 20.019 5.926 ( 1.719 10.496 -8.381) 13.541 6.018 ( -6.831 13.317 -8.783) 17.353 6.315 ( 4.965 -0.755 0.099) 5.023 6.414 ( -3.630 -3.064 -3.348) 5.812 6.454 ( 0.672 0.580 5.290) 5.364 6.565 ( -7.886 -2.279 -3.173) 8.800 7.023 ( 8.193 19.974 1.844) 21.668 7.138 ( -2.790 17.104 -3.714) 17.723 7.594 ( 4.939 -3.822 -0.078) 6.246 7.680 ( -2.766 -4.160 -4.201) 6.527 9.328 ( 5.905 8.431 -2.405) 10.570 9.365 ( 2.304 8.946 -3.330) 9.820 9.530 ( 1.269 2.107 -3.627) 4.382 9.560 ( -1.413 1.859 -4.452) 5.027 10.242 ( 0.401 8.671 -2.525) 9.040 10.290 ( -3.634 3.147 -2.145) 5.264 10.359 ( 4.490 14.230 -3.405) 15.306 10.446 ( -2.632 5.839 -4.667) 7.924 10.772 ( 0.606 -12.698 -4.182) 13.383 10.790 ( -1.723 -10.645 -5.256) 11.996 11.414 ( 6.507 -7.456 0.616) 9.916 11.455 ( 9.186 -6.910 -0.114) 11.496 11.508 ( -1.523 -8.342 3.164) 9.051 11.584 ( -3.370 -5.803 -0.377) 6.721 11.698 ( -7.750 -4.593 1.580) 9.146 11.708 ( -9.002 -8.733 1.255) 12.605 12.397 ( 5.234 -0.039 2.788) 5.930 12.425 ( 4.966 1.151 -0.825) 5.164 12.645 ( 2.802 -4.942 7.092) 9.087 12.758 ( -2.827 -6.845 1.259) 7.513 13.043 ( 1.915 0.263 9.424) 9.620 13.161 ( 1.736 -2.315 3.156) 4.282 13.196 ( -5.695 -1.736 5.595) 8.170 13.370 ( -12.425 -5.180 -1.322) 13.526 13.804 ( 5.316 1.534 1.635) 5.769 13.864 ( 0.991 2.475 3.955) 4.769 13.955 ( 1.157 -1.533 -3.270) 3.792 14.037 ( -4.851 -2.222 -1.015) 5.431 14.270 ( 4.069 4.432 -5.140) 7.913 14.334 ( -2.525 5.485 -8.149) 10.142 14.473 ( 4.430 -1.924 -1.118) 4.958 14.578 ( -4.891 -1.625 -3.782) 6.392 14.668 ( 4.877 4.004 2.040) 6.632 14.736 ( 0.319 3.980 -0.569) 4.033 14.865 ( -2.615 -0.634 2.899) 3.955 14.887 ( -4.632 -1.202 2.904) 5.597 15.341 ( 10.583 0.816 -0.415) 10.623 15.426 ( 6.848 -0.288 -2.085) 7.164 15.569 ( -7.435 0.452 1.482) 7.595 15.617 ( -7.377 0.148 0.690) 7.411 16.403 ( 5.011 5.430 8.841) 11.523 16.485 ( -2.146 2.951 6.122) 7.126 16.627 ( 3.629 -5.311 4.865) 8.065 16.646 ( 1.648 -5.593 4.810) 7.559 17.272 ( 2.521 -2.768 1.669) 4.099 17.351 ( -4.933 -1.501 -1.149) 5.283 17.430 ( 2.867 -5.762 -0.175) 6.438 17.505 ( -4.525 -4.519 -2.350) 6.813 18.083 ( 6.361 3.865 1.795) 7.657 18.190 ( 1.646 1.043 -2.845) 3.448 18.243 ( -3.065 0.907 0.058) 3.197 18.325 ( -5.713 -1.084 -2.998) 6.542 18.710 ( 8.045 2.545 5.755) 10.214 18.810 ( 4.843 -0.212 1.350) 5.033 18.891 ( -5.200 0.975 4.966) 7.256 18.980 ( -7.256 -1.504 0.970) 7.474 27.647 ( 1.058 1.452 1.565) 2.383 27.668 ( -1.028 1.615 1.628) 2.513 27.677 ( 1.698 0.109 0.255) 1.720 27.712 ( -1.718 -0.293 -0.242) 1.759 29.956 ( 3.860 0.210 3.069) 4.936 29.979 ( 2.483 -1.032 2.286) 3.529 30.063 ( -2.711 -1.008 4.260) 5.149 30.085 ( -3.557 -1.634 3.488) 5.243 30.575 ( 6.429 6.794 5.363) 10.782 30.655 ( -1.597 6.303 3.242) 7.266 30.916 ( -1.506 -4.636 4.043) 6.333 30.954 ( -4.670 -2.897 4.077) 6.842 31.513 ( 11.029 10.286 -1.407) 15.147 31.689 ( -5.249 7.582 -6.018) 11.011 32.010 ( 4.602 -9.242 -3.044) 10.764 32.153 ( -8.442 -9.916 -7.299) 14.929 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 0.000 -12.006 -4.710) 12.897 3.384 ( 0.000 12.006 -4.710) 12.897 3.818 ( 0.000 -2.954 -6.016) 6.702 3.818 ( 0.000 2.954 -6.016) 6.702 4.419 ( 0.000 -0.328 4.678) 4.689 4.419 ( 0.000 0.328 4.678) 4.689 4.553 ( 0.000 -12.869 -5.946) 14.176 4.553 ( 0.000 12.869 -5.946) 14.176 4.960 ( 0.000 -1.185 10.135) 10.204 4.960 ( 0.000 1.185 10.135) 10.204 5.730 ( 0.000 -7.755 9.054) 11.922 5.730 ( 0.000 7.755 9.054) 11.922 5.882 ( 0.000 -13.077 10.588) 16.826 5.882 ( 0.000 13.077 10.588) 16.826 6.212 ( 0.000 -2.720 -13.785) 14.051 6.212 ( 0.000 2.720 -13.785) 14.051 6.468 ( 0.000 -13.484 -8.624) 16.006 6.468 ( 0.000 13.484 -8.624) 16.006 6.762 ( 0.000 -3.896 8.182) 9.062 6.762 ( 0.000 3.896 8.182) 9.062 6.880 ( 0.000 -7.028 -3.820) 7.999 6.880 ( 0.000 7.028 -3.820) 7.999 7.546 ( 0.000 -1.946 -10.296) 10.478 7.546 ( 0.000 1.946 -10.296) 10.478 9.346 ( 0.000 -10.261 -1.367) 10.351 9.346 ( 0.000 10.261 -1.367) 10.351 9.446 ( 0.000 -7.305 -3.667) 8.174 9.446 ( 0.000 7.305 -3.667) 8.174 10.271 ( 0.000 -1.657 -6.101) 6.323 10.271 ( 0.000 1.657 -6.101) 6.323 10.488 ( 0.000 -1.835 -5.238) 5.550 10.488 ( 0.000 1.835 -5.238) 5.550 10.895 ( 0.000 -14.481 0.367) 14.486 10.895 ( 0.000 14.481 0.367) 14.486 11.191 ( 0.000 -16.340 3.226) 16.656 11.191 ( 0.000 16.340 3.226) 16.656 11.329 ( 0.000 -9.426 -2.350) 9.715 11.329 ( 0.000 9.426 -2.350) 9.715 11.952 ( 0.000 -3.493 3.535) 4.970 11.952 ( 0.000 3.493 3.535) 4.970 12.372 ( 0.000 -8.864 0.130) 8.865 12.372 ( 0.000 8.864 0.130) 8.865 12.497 ( 0.000 -3.485 2.803) 4.473 12.497 ( 0.000 3.485 2.803) 4.473 13.155 ( 0.000 -2.035 13.336) 13.490 13.155 ( 0.000 2.035 13.336) 13.490 13.562 ( 0.000 -8.032 -1.227) 8.125 13.562 ( 0.000 8.032 -1.227) 8.125 13.695 ( 0.000 -5.273 -1.201) 5.408 13.695 ( 0.000 5.273 -1.201) 5.408 14.027 ( 0.000 -2.953 -4.673) 5.528 14.027 ( 0.000 2.953 -4.673) 5.528 14.377 ( 0.000 -9.875 -5.482) 11.295 14.377 ( 0.000 9.875 -5.482) 11.295 14.611 ( 0.000 -0.999 -0.594) 1.162 14.611 ( 0.000 0.999 -0.594) 1.162 14.685 ( 0.000 -6.186 -2.742) 6.766 14.685 ( 0.000 6.186 -2.742) 6.766 14.757 ( 0.000 -0.606 1.069) 1.229 14.757 ( 0.000 0.606 1.069) 1.229 15.186 ( 0.000 -3.000 6.445) 7.109 15.186 ( 0.000 3.000 6.445) 7.109 15.864 ( 0.000 -0.290 5.370) 5.378 15.864 ( 0.000 0.290 5.370) 5.378 16.255 ( 0.000 -2.476 3.518) 4.302 16.255 ( 0.000 2.476 3.518) 4.302 16.571 ( 0.000 -6.379 -2.305) 6.783 16.571 ( 0.000 6.379 -2.305) 6.783 17.261 ( 0.000 -3.853 7.278) 8.235 17.261 ( 0.000 3.853 7.278) 8.235 17.585 ( 0.000 -2.505 -6.404) 6.876 17.585 ( 0.000 2.505 -6.404) 6.876 17.988 ( 0.000 -0.821 4.470) 4.544 17.988 ( 0.000 0.821 4.470) 4.544 18.416 ( 0.000 -1.381 -1.094) 1.762 18.416 ( 0.000 1.381 -1.094) 1.762 18.590 ( 0.000 -3.404 -0.635) 3.462 18.590 ( 0.000 3.404 -0.635) 3.462 19.117 ( 0.000 -2.056 4.785) 5.208 19.117 ( 0.000 2.056 4.785) 5.208 27.639 ( 0.000 -0.066 1.156) 1.158 27.639 ( 0.000 0.066 1.156) 1.158 27.728 ( 0.000 -1.437 0.377) 1.486 27.728 ( 0.000 1.437 0.377) 1.486 29.872 ( 0.000 -1.452 0.198) 1.465 29.872 ( 0.000 1.452 0.198) 1.465 30.119 ( 0.000 -0.663 1.861) 1.976 30.119 ( 0.000 0.663 1.861) 1.976 30.611 ( 0.000 -9.377 13.381) 16.339 30.611 ( 0.000 9.377 13.381) 16.339 31.046 ( 0.000 -0.509 6.777) 6.796 31.046 ( 0.000 0.509 6.777) 6.796 31.432 ( 0.000 -8.058 -12.976) 15.274 31.432 ( 0.000 8.058 -12.976) 15.274 32.182 ( 0.000 -7.434 -3.128) 8.066 32.182 ( 0.000 7.434 -3.128) 8.066 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 7.325 -11.769 -4.113) 14.460 3.459 ( 7.325 11.769 -4.113) 14.460 3.835 ( 0.749 -3.420 -9.165) 9.811 3.835 ( 0.749 3.420 -9.165) 9.811 4.451 ( 0.841 -6.438 5.094) 8.252 4.451 ( 0.841 6.438 5.094) 8.252 4.589 ( 7.211 -12.241 -1.351) 14.271 4.589 ( 7.211 12.241 -1.351) 14.271 4.879 ( -7.797 -4.568 13.300) 16.080 4.879 ( -7.797 4.568 13.300) 16.080 5.636 ( -9.759 -8.766 7.274) 15.000 5.636 ( -9.759 8.766 7.274) 15.000 5.900 ( 1.392 -9.834 2.751) 10.306 5.900 ( 1.392 9.834 2.751) 10.306 6.211 ( 1.020 -1.654 -11.641) 11.802 6.211 ( 1.020 1.654 -11.641) 11.802 6.320 ( -10.724 -12.912 -8.061) 18.620 6.320 ( -10.724 12.912 -8.061) 18.620 6.671 ( -8.458 -4.540 2.629) 9.953 6.671 ( -8.458 4.540 2.629) 9.953 7.074 ( 15.360 -6.305 -0.644) 16.616 7.074 ( 15.360 6.305 -0.644) 16.616 7.571 ( 1.046 -4.633 -5.971) 7.629 7.571 ( 1.046 4.633 -5.971) 7.629 9.392 ( 4.383 -8.081 -2.123) 9.435 9.392 ( 4.383 8.081 -2.123) 9.435 9.480 ( 3.133 -6.166 -3.149) 7.599 9.480 ( 3.133 6.166 -3.149) 7.599 10.296 ( 2.421 -2.826 -5.685) 6.794 10.296 ( 2.421 2.826 -5.685) 6.794 10.456 ( -2.679 -2.988 -5.837) 7.084 10.456 ( -2.679 2.988 -5.837) 7.084 10.898 ( 0.793 -14.669 0.566) 14.701 10.898 ( 0.793 14.669 0.566) 14.701 11.163 ( -3.182 -14.476 2.339) 15.005 11.163 ( -3.182 14.476 2.339) 15.005 11.408 ( 6.517 -6.741 -1.545) 9.503 11.408 ( 6.517 6.741 -1.545) 9.503 11.829 ( -10.405 -2.087 2.767) 10.967 11.829 ( -10.405 2.087 2.767) 10.967 12.369 ( 1.709 -3.512 1.623) 4.230 12.369 ( 1.709 3.512 1.623) 4.230 12.582 ( 5.385 -2.731 1.053) 6.129 12.582 ( 5.385 2.731 1.053) 6.129 13.083 ( -4.739 -0.731 13.135) 13.983 13.083 ( -4.739 0.731 13.135) 13.983 13.499 ( -9.951 -5.786 -2.256) 11.730 13.499 ( -9.951 5.786 -2.256) 11.730 13.740 ( 6.298 -3.307 1.110) 7.199 13.740 ( 6.298 3.307 1.110) 7.199 14.033 ( -0.966 -2.807 -4.693) 5.553 14.033 ( -0.966 2.807 -4.693) 5.553 14.330 ( -1.544 -6.880 -0.634) 7.080 14.330 ( -1.544 6.880 -0.634) 7.080 14.539 ( -3.733 -6.479 -6.437) 9.866 14.539 ( -3.733 6.479 -6.437) 9.866 14.676 ( 2.628 -4.076 0.528) 4.879 14.676 ( 2.628 4.076 0.528) 4.879 14.913 ( 4.611 -2.244 0.421) 5.145 14.913 ( 4.611 2.244 0.421) 5.145 15.215 ( 5.243 -3.628 4.672) 7.904 15.215 ( 5.243 3.628 4.672) 7.904 15.764 ( -8.429 -0.798 2.476) 8.821 15.764 ( -8.429 0.798 2.476) 8.821 16.348 ( 7.504 -2.513 6.195) 10.050 16.348 ( 7.504 2.513 6.195) 10.050 16.579 ( 0.449 -4.237 0.010) 4.261 16.579 ( 0.449 4.237 0.010) 4.261 17.265 ( 0.740 -4.153 5.157) 6.663 17.265 ( 0.740 4.153 5.157) 6.663 17.525 ( -5.479 -3.844 -4.937) 8.317 17.525 ( -5.479 3.844 -4.937) 8.317 18.047 ( 5.344 -2.837 2.638) 6.601 18.047 ( 5.344 2.837 2.638) 6.601 18.378 ( -3.758 -1.774 -1.765) 4.515 18.378 ( -3.758 1.774 -1.765) 4.515 18.642 ( 5.166 -3.259 0.782) 6.158 18.642 ( 5.166 3.259 0.782) 6.158 19.065 ( -5.244 -2.277 4.447) 7.243 19.065 ( -5.244 2.277 4.447) 7.243 27.648 ( 0.889 -0.399 1.082) 1.456 27.648 ( 0.889 0.399 1.082) 1.456 27.719 ( -0.840 -1.343 0.453) 1.647 27.719 ( -0.840 1.343 0.453) 1.647 29.895 ( 2.483 -1.047 1.146) 2.929 29.895 ( 2.483 1.047 1.146) 2.929 30.116 ( -1.053 -0.535 2.857) 3.092 30.116 ( -1.053 0.535 2.857) 3.092 30.617 ( 1.728 -7.262 10.029) 12.502 30.617 ( 1.728 7.262 10.029) 12.502 30.996 ( -5.099 -3.239 5.067) 7.885 30.996 ( -5.099 3.239 5.067) 7.885 31.523 ( 8.755 -8.924 -9.660) 15.799 31.523 ( 8.755 8.924 -9.660) 15.799 32.121 ( -6.283 -7.542 -3.286) 10.352 32.121 ( -6.283 7.542 -3.286) 10.352 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 9.799 -10.506 -5.627) 15.429 3.632 ( 9.799 10.506 -5.627) 15.429 3.793 ( -5.898 -7.574 -10.374) 14.134 3.793 ( -5.898 7.574 -10.374) 14.134 4.486 ( 4.919 -5.902 10.203) 12.772 4.486 ( 4.919 5.902 10.203) 12.772 4.639 ( -9.169 -2.623 11.473) 14.919 4.639 ( -9.169 2.623 11.473) 14.919 4.917 ( 18.791 -8.376 4.417) 21.042 4.917 ( 18.791 8.376 4.417) 21.042 5.330 ( -21.251 -8.679 3.777) 23.263 5.330 ( -21.251 8.679 3.777) 23.263 5.967 ( 6.209 -6.768 -5.345) 10.626 5.967 ( 6.209 6.768 -5.345) 10.626 6.120 ( -9.179 -9.164 -8.247) 15.370 6.120 ( -9.179 9.164 -8.247) 15.370 6.304 ( 7.592 -3.320 -6.072) 10.273 6.304 ( 7.592 3.320 -6.072) 10.273 6.483 ( -10.317 -3.008 -3.991) 11.464 6.483 ( -10.317 3.008 -3.991) 11.464 7.356 ( 12.746 -7.157 1.497) 14.694 7.356 ( 12.746 7.157 1.497) 14.694 7.534 ( -5.556 -6.752 -0.563) 8.762 7.534 ( -5.556 6.752 -0.563) 8.762 9.485 ( 4.445 -4.703 -3.086) 7.169 9.485 ( 4.445 4.703 -3.086) 7.169 9.527 ( 0.562 -4.164 -2.848) 5.076 9.527 ( 0.562 4.164 -2.848) 5.076 10.353 ( 3.242 -5.618 -5.106) 8.255 10.353 ( 3.242 5.618 -5.106) 8.255 10.407 ( -2.417 -5.627 -5.879) 8.490 10.407 ( -2.417 5.627 -5.879) 8.490 10.943 ( 4.412 -16.141 0.548) 16.742 10.943 ( 4.412 16.141 0.548) 16.742 11.063 ( -6.956 -15.520 0.397) 17.012 11.063 ( -6.956 15.520 0.397) 17.012 11.523 ( 5.401 -2.703 0.680) 6.077 11.523 ( 5.401 2.703 0.680) 6.077 11.643 ( -7.911 -0.988 2.013) 8.223 11.643 ( -7.911 0.988 2.013) 8.223 12.469 ( 8.203 -3.605 1.777) 9.135 12.469 ( 8.203 3.605 1.777) 9.135 12.608 ( -3.906 -6.090 1.251) 7.343 12.608 ( -3.906 6.090 1.251) 7.343 13.068 ( 4.618 -3.163 9.198) 10.768 13.068 ( 4.618 3.163 9.198) 10.768 13.252 ( -13.295 -5.143 1.317) 14.316 13.252 ( -13.295 5.143 1.317) 14.316 13.865 ( 5.960 -3.054 1.429) 6.848 13.865 ( 5.960 3.054 1.429) 6.848 13.967 ( -4.869 -3.344 -0.530) 5.930 13.967 ( -4.869 3.344 -0.530) 5.930 14.382 ( 5.380 -5.206 -4.637) 8.806 14.382 ( 5.380 5.206 -4.637) 8.806 14.475 ( -3.819 -6.439 -8.243) 11.135 14.475 ( -3.819 6.439 -8.243) 11.135 14.755 ( 5.522 -2.665 3.044) 6.845 14.755 ( 5.522 2.665 3.044) 6.845 14.874 ( -5.984 -0.810 3.872) 7.173 14.874 ( -5.984 0.810 3.872) 7.173 15.390 ( 10.745 -3.178 0.021) 11.206 15.390 ( 10.745 3.178 0.021) 11.206 15.587 ( -9.797 -2.016 -0.202) 10.004 15.587 ( -9.797 2.016 -0.202) 10.004 16.485 ( 6.136 -2.987 7.674) 10.269 16.485 ( 6.136 2.987 7.674) 10.269 16.567 ( -2.236 -1.625 5.056) 5.763 16.567 ( -2.236 1.625 5.056) 5.763 17.306 ( 3.850 -4.611 0.528) 6.030 17.306 ( 3.850 4.611 0.528) 6.030 17.407 ( -6.234 -4.435 -2.836) 8.160 17.407 ( -6.234 4.435 -2.836) 8.160 18.164 ( 6.464 -3.290 0.206) 7.256 18.164 ( 6.464 3.290 0.206) 7.256 18.284 ( -5.839 -2.605 -1.436) 6.553 18.284 ( -5.839 2.605 -1.436) 6.553 18.772 ( 8.034 -3.065 2.427) 8.935 18.772 ( 8.034 3.065 2.427) 8.935 18.932 ( -8.182 -2.727 3.592) 9.342 18.932 ( -8.182 2.727 3.592) 9.342 27.670 ( 1.401 -0.769 0.889) 1.829 27.670 ( 1.401 0.769 0.889) 1.829 27.698 ( -1.371 -1.098 0.650) 1.873 27.698 ( -1.371 1.098 0.650) 1.873 29.965 ( 4.680 -0.545 2.975) 5.573 29.965 ( 4.680 0.545 2.975) 5.573 30.060 ( -4.574 -0.724 4.011) 6.127 30.060 ( -4.574 0.724 4.011) 6.127 30.705 ( 7.281 -4.333 5.193) 9.938 30.705 ( 7.281 4.333 5.193) 9.938 30.863 ( -8.329 -3.455 3.799) 9.785 30.863 ( -8.329 3.455 3.799) 9.785 31.730 ( 12.017 -8.560 -5.798) 15.852 31.730 ( 12.017 8.560 -5.798) 15.852 31.954 ( -10.749 -7.911 -3.961) 13.922 31.954 ( -10.749 7.911 -3.961) 13.922 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 0.000 0.000 -12.644) 12.644 3.629 ( 0.000 0.000 12.644) 12.644 3.837 ( 0.000 0.000 -3.609) 3.609 3.837 ( 0.000 0.000 3.609) 3.609 3.986 ( 0.000 0.000 -13.100) 13.100 3.986 ( 0.000 0.000 13.100) 13.100 4.598 ( 0.000 0.000 -7.009) 7.009 4.598 ( 0.000 0.000 7.009) 7.009 4.858 ( 0.000 0.000 -11.958) 11.958 4.858 ( 0.000 0.000 11.958) 11.958 5.089 ( 0.000 0.000 -19.142) 19.142 5.089 ( 0.000 0.000 19.142) 19.142 5.392 ( 0.000 0.000 -11.365) 11.365 5.392 ( 0.000 0.000 11.365) 11.365 5.682 ( 0.000 0.000 -6.866) 6.866 5.682 ( 0.000 0.000 6.866) 6.866 5.857 ( 0.000 0.000 -10.073) 10.073 5.857 ( 0.000 0.000 10.073) 10.073 6.077 ( 0.000 0.000 -2.239) 2.239 6.077 ( 0.000 0.000 2.239) 2.239 7.275 ( 0.000 0.000 -1.723) 1.723 7.275 ( 0.000 0.000 1.723) 1.723 7.453 ( 0.000 0.000 -6.923) 6.923 7.453 ( 0.000 0.000 6.923) 6.923 9.105 ( 0.000 0.000 -0.688) 0.688 9.105 ( 0.000 0.000 0.688) 0.688 9.333 ( 0.000 0.000 -4.614) 4.614 9.333 ( 0.000 0.000 4.614) 4.614 9.787 ( 0.000 0.000 -5.446) 5.446 9.787 ( 0.000 0.000 5.446) 5.446 10.914 ( 0.000 0.000 -5.325) 5.325 10.914 ( 0.000 0.000 5.325) 5.325 11.047 ( 0.000 0.000 -0.956) 0.956 11.047 ( 0.000 0.000 0.956) 0.956 11.532 ( 0.000 0.000 -3.912) 3.912 11.532 ( 0.000 0.000 3.912) 3.912 11.825 ( 0.000 0.000 -1.390) 1.390 11.825 ( 0.000 0.000 1.390) 1.390 12.137 ( 0.000 0.000 -2.275) 2.275 12.137 ( 0.000 0.000 2.275) 2.275 12.141 ( 0.000 0.000 -3.409) 3.409 12.141 ( 0.000 0.000 3.409) 3.409 12.842 ( 0.000 0.000 -1.205) 1.205 12.842 ( 0.000 0.000 1.205) 1.205 12.997 ( 0.000 0.000 -5.256) 5.256 12.997 ( 0.000 0.000 5.256) 5.256 13.302 ( 0.000 0.000 -6.621) 6.621 13.302 ( 0.000 0.000 6.621) 6.621 13.774 ( 0.000 0.000 -0.772) 0.772 13.774 ( 0.000 0.000 0.772) 0.772 13.996 ( 0.000 0.000 -1.200) 1.200 13.996 ( 0.000 0.000 1.200) 1.200 14.233 ( 0.000 0.000 -0.037) 0.037 14.233 ( 0.000 0.000 0.037) 0.037 14.682 ( 0.000 0.000 -0.384) 0.384 14.682 ( 0.000 0.000 0.384) 0.384 14.860 ( 0.000 0.000 -8.427) 8.427 14.860 ( 0.000 0.000 8.427) 8.427 15.213 ( 0.000 0.000 -9.123) 9.123 15.213 ( 0.000 0.000 9.123) 9.123 15.448 ( 0.000 0.000 -2.021) 2.021 15.448 ( 0.000 0.000 2.021) 2.021 15.585 ( 0.000 0.000 -3.946) 3.946 15.585 ( 0.000 0.000 3.946) 3.946 15.747 ( 0.000 0.000 -3.136) 3.136 15.747 ( 0.000 0.000 3.136) 3.136 16.536 ( 0.000 0.000 -9.051) 9.051 16.536 ( 0.000 0.000 9.051) 9.051 17.623 ( 0.000 0.000 -0.718) 0.718 17.623 ( 0.000 0.000 0.718) 0.718 18.024 ( 0.000 0.000 -0.887) 0.887 18.024 ( 0.000 0.000 0.887) 0.887 18.183 ( 0.000 0.000 -0.191) 0.191 18.183 ( 0.000 0.000 0.191) 0.191 18.333 ( 0.000 0.000 -9.987) 9.987 18.333 ( 0.000 0.000 9.987) 9.987 18.668 ( 0.000 0.000 -8.900) 8.900 18.668 ( 0.000 0.000 8.900) 8.900 18.866 ( 0.000 0.000 -1.093) 1.093 18.866 ( 0.000 0.000 1.093) 1.093 27.594 ( 0.000 0.000 -0.195) 0.195 27.594 ( 0.000 0.000 0.195) 0.195 27.714 ( 0.000 0.000 -2.965) 2.965 27.714 ( 0.000 0.000 2.965) 2.965 30.178 ( 0.000 0.000 -1.718) 1.718 30.178 ( 0.000 0.000 1.718) 1.718 30.206 ( 0.000 0.000 -8.326) 8.326 30.206 ( 0.000 0.000 8.326) 8.326 30.247 ( 0.000 0.000 -8.427) 8.427 30.247 ( 0.000 0.000 8.427) 8.427 30.581 ( 0.000 0.000 -3.582) 3.582 30.581 ( 0.000 0.000 3.582) 3.582 31.627 ( 0.000 0.000 -17.729) 17.729 31.627 ( 0.000 0.000 17.729) 17.729 32.415 ( 0.000 0.000 -14.269) 14.269 32.415 ( 0.000 0.000 14.269) 14.269 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 1.648 0.000 -6.154) 6.370 3.657 ( 1.648 0.000 6.154) 6.370 3.861 ( 2.256 0.000 -2.850) 3.635 3.861 ( 2.256 0.000 2.850) 3.635 4.113 ( 12.991 0.000 -4.404) 13.717 4.113 ( 12.991 0.000 4.404) 13.717 4.576 ( -2.082 0.000 -6.469) 6.796 4.576 ( -2.082 0.000 6.469) 6.796 4.816 ( -4.108 0.000 -11.874) 12.565 4.816 ( -4.108 0.000 11.874) 12.565 5.102 ( 1.170 0.000 -16.285) 16.327 5.102 ( 1.170 0.000 16.285) 16.327 5.377 ( -1.346 0.000 -9.018) 9.118 5.377 ( -1.346 0.000 9.018) 9.118 5.716 ( 3.007 0.000 -4.130) 5.109 5.716 ( 3.007 0.000 4.130) 5.109 5.897 ( 3.699 0.000 -8.677) 9.432 5.897 ( 3.699 0.000 8.677) 9.432 6.101 ( 3.172 0.000 -5.964) 6.755 6.101 ( 3.172 0.000 5.964) 6.755 7.119 ( -15.630 0.000 -3.927) 16.115 7.119 ( -15.630 0.000 3.927) 16.115 7.429 ( -2.302 0.000 -5.918) 6.350 7.429 ( -2.302 0.000 5.918) 6.350 9.086 ( -0.625 0.000 -1.368) 1.504 9.086 ( -0.625 0.000 1.368) 1.504 9.389 ( 5.462 0.000 -5.008) 7.410 9.389 ( 5.462 0.000 5.008) 7.410 9.721 ( -6.608 0.000 -4.973) 8.271 9.721 ( -6.608 0.000 4.973) 8.271 10.707 ( -17.214 0.000 -6.343) 18.346 10.707 ( -17.214 0.000 6.343) 18.346 11.142 ( 8.754 0.000 -1.507) 8.883 11.142 ( 8.754 0.000 1.507) 8.883 11.529 ( -0.474 0.000 -3.466) 3.498 11.529 ( -0.474 0.000 3.466) 3.498 11.944 ( 8.638 0.000 -2.094) 8.889 11.944 ( 8.638 0.000 2.094) 8.889 12.131 ( -0.865 0.000 -2.154) 2.321 12.131 ( -0.865 0.000 2.154) 2.321 12.144 ( 0.594 0.000 -1.421) 1.540 12.144 ( 0.594 0.000 1.421) 1.540 12.841 ( -0.417 0.000 -3.692) 3.716 12.841 ( -0.417 0.000 3.692) 3.716 13.088 ( 9.360 0.000 -5.649) 10.933 13.088 ( 9.360 0.000 5.649) 10.933 13.345 ( 3.999 0.000 -5.761) 7.012 13.345 ( 3.999 0.000 5.761) 7.012 13.734 ( -4.573 0.000 -2.576) 5.248 13.734 ( -4.573 0.000 2.576) 5.248 14.045 ( 4.212 0.000 -2.252) 4.776 14.045 ( 4.212 0.000 2.252) 4.776 14.248 ( 1.746 0.000 -3.510) 3.920 14.248 ( 1.746 0.000 3.510) 3.920 14.598 ( -6.325 0.000 -0.690) 6.363 14.598 ( -6.325 0.000 0.690) 6.363 14.766 ( -8.179 0.000 -4.627) 9.397 14.766 ( -8.179 0.000 4.627) 9.397 15.262 ( 3.777 0.000 -5.407) 6.595 15.262 ( 3.777 0.000 5.407) 6.595 15.445 ( -0.313 0.000 -2.100) 2.123 15.445 ( -0.313 0.000 2.100) 2.123 15.496 ( -8.459 0.000 -5.451) 10.063 15.496 ( -8.459 0.000 5.451) 10.063 15.790 ( 3.307 0.000 -6.134) 6.969 15.790 ( 3.307 0.000 6.134) 6.969 16.652 ( 10.663 0.000 -7.904) 13.273 16.652 ( 10.663 0.000 7.904) 13.273 17.643 ( 2.437 0.000 -1.702) 2.973 17.643 ( 2.437 0.000 1.702) 2.973 18.029 ( 0.448 0.000 -0.828) 0.941 18.029 ( 0.448 0.000 0.828) 0.941 18.181 ( -0.262 0.000 -0.387) 0.468 18.181 ( -0.262 0.000 0.387) 0.468 18.231 ( -9.876 0.000 -8.673) 13.144 18.231 ( -9.876 0.000 8.673) 13.144 18.694 ( 2.610 0.000 -8.141) 8.549 18.694 ( 2.610 0.000 8.141) 8.549 18.860 ( -0.806 0.000 -2.666) 2.785 18.860 ( -0.806 0.000 2.666) 2.785 27.603 ( 0.953 0.000 -0.983) 1.369 27.603 ( 0.953 0.000 0.983) 1.369 27.700 ( -1.350 0.000 -2.859) 3.162 27.700 ( -1.350 0.000 2.859) 3.162 30.206 ( -0.030 0.000 -6.623) 6.623 30.206 ( -0.030 0.000 6.623) 6.623 30.214 ( 3.486 0.000 -1.556) 3.817 30.214 ( 3.486 0.000 1.556) 3.817 30.247 ( 0.032 0.000 -6.705) 6.705 30.247 ( 0.032 0.000 6.705) 6.705 30.554 ( -2.681 0.000 -2.985) 4.012 30.554 ( -2.681 0.000 2.985) 4.012 31.638 ( 1.055 0.000 -14.862) 14.899 31.638 ( 1.055 0.000 14.862) 14.899 32.402 ( -1.130 0.000 -11.956) 12.009 32.402 ( -1.130 0.000 11.956) 12.009 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.673 ( 0.247 0.000 -1.705) 1.723 3.673 ( 0.247 0.000 1.705) 1.723 3.904 ( 1.564 0.000 -1.054) 1.886 3.904 ( 1.564 0.000 1.054) 1.886 4.400 ( 13.189 0.000 -4.244) 13.855 4.400 ( 13.190 0.000 4.244) 13.855 4.536 ( -1.450 0.000 -2.860) 3.206 4.536 ( -1.450 0.000 2.860) 3.206 4.712 ( -6.155 0.000 -8.587) 10.565 4.712 ( -6.155 0.000 8.587) 10.565 5.123 ( 0.788 0.000 -6.794) 6.840 5.123 ( 0.788 0.000 6.794) 6.840 5.352 ( -0.894 0.000 -3.576) 3.686 5.352 ( -0.894 0.000 3.576) 3.686 5.765 ( 1.432 0.000 -2.165) 2.596 5.765 ( 1.432 0.000 2.165) 2.596 5.965 ( 2.441 0.000 -3.768) 4.490 5.965 ( 2.441 0.000 3.768) 4.490 6.225 ( 8.963 0.000 -9.515) 13.072 6.225 ( 8.963 0.000 9.515) 13.072 6.759 ( -17.535 0.000 -6.169) 18.589 6.759 ( -17.535 0.000 6.170) 18.589 7.385 ( -1.592 0.000 -2.520) 2.981 7.385 ( -1.592 0.000 2.520) 2.981 9.110 ( 2.300 0.000 -1.182) 2.586 9.110 ( 2.300 0.000 1.182) 2.586 9.506 ( 5.039 0.000 -3.201) 5.969 9.506 ( 5.039 0.000 3.201) 5.969 9.579 ( -5.926 0.000 -2.375) 6.384 9.579 ( -5.926 0.000 2.375) 6.384 10.410 ( -10.415 0.000 -3.787) 11.082 10.410 ( -10.415 0.000 3.787) 11.082 11.310 ( 6.723 0.000 -0.770) 6.767 11.310 ( 6.723 0.000 0.770) 6.767 11.506 ( -1.840 0.000 -1.647) 2.469 11.506 ( -1.840 0.000 1.647) 2.469 12.062 ( 3.088 0.000 -2.214) 3.800 12.062 ( 3.088 0.000 2.214) 3.800 12.117 ( -0.439 0.000 -0.502) 0.667 12.117 ( -0.439 0.000 0.502) 0.667 12.154 ( 0.291 0.000 -1.944) 1.966 12.154 ( 0.291 0.000 1.944) 1.966 12.826 ( -0.735 0.000 -2.003) 2.134 12.826 ( -0.735 0.000 2.003) 2.134 13.326 ( 14.080 0.000 -5.265) 15.032 13.326 ( 14.080 0.000 5.265) 15.032 13.420 ( 2.784 0.000 -2.200) 3.548 13.420 ( 2.784 0.000 2.200) 3.548 13.585 ( -10.852 0.000 -4.096) 11.599 13.585 ( -10.852 0.000 4.096) 11.599 14.097 ( 0.504 0.000 -0.998) 1.118 14.097 ( 0.504 0.000 0.998) 1.118 14.299 ( 2.751 0.000 -2.820) 3.939 14.299 ( 2.751 0.000 2.820) 3.939 14.540 ( 0.518 0.000 -0.181) 0.548 14.540 ( 0.518 0.000 0.181) 0.548 14.614 ( -5.898 0.000 -1.636) 6.120 14.614 ( -5.898 0.000 1.636) 6.120 15.320 ( 1.828 0.000 -1.783) 2.553 15.320 ( 1.828 0.000 1.783) 2.553 15.327 ( -6.649 0.000 -2.667) 7.164 15.327 ( -6.649 0.000 2.667) 7.164 15.438 ( -0.343 0.000 -1.263) 1.309 15.438 ( -0.343 0.000 1.263) 1.309 15.836 ( 1.235 0.000 -2.842) 3.099 15.836 ( 1.235 0.000 2.842) 3.099 16.847 ( 6.904 0.000 -3.619) 7.795 16.847 ( 6.904 0.000 3.619) 7.795 17.730 ( 6.418 0.000 -3.097) 7.126 17.730 ( 6.418 0.000 3.097) 7.126 18.007 ( -11.336 0.000 -5.546) 12.620 18.007 ( -11.336 0.000 5.546) 12.620 18.038 ( 0.295 0.000 -0.390) 0.489 18.038 ( 0.295 0.000 0.390) 0.489 18.176 ( -0.181 0.000 -0.249) 0.307 18.176 ( -0.181 0.000 0.249) 0.307 18.755 ( 3.299 0.000 -6.043) 6.885 18.755 ( 3.299 0.000 6.043) 6.885 18.828 ( -2.411 0.000 -4.189) 4.833 18.828 ( -2.411 0.000 4.189) 4.833 27.628 ( 1.582 0.000 -1.710) 2.330 27.628 ( 1.582 0.000 1.710) 2.330 27.668 ( -1.823 0.000 -2.364) 2.986 27.668 ( -1.823 0.000 2.364) 2.986 30.205 ( -0.018 0.000 -2.464) 2.465 30.205 ( -0.018 0.000 2.464) 2.465 30.248 ( 0.019 0.000 -2.496) 2.496 30.248 ( 0.019 0.000 2.496) 2.496 30.289 ( 3.369 0.000 -0.781) 3.459 30.289 ( 3.369 0.000 0.781) 3.459 30.493 ( -2.880 0.000 -1.317) 3.167 30.493 ( -2.880 0.000 1.317) 3.167 31.658 ( 0.692 0.000 -6.031) 6.071 31.658 ( 0.692 0.000 6.031) 6.071 32.381 ( -0.737 0.000 -4.858) 4.913 32.381 ( -0.737 0.000 4.858) 4.913 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 0.000 -6.257 -3.823) 7.333 3.545 ( 0.000 -6.257 3.823) 7.333 3.840 ( 0.000 0.243 -4.872) 4.878 3.840 ( 0.000 0.243 4.872) 4.878 4.124 ( 0.000 8.041 -12.670) 15.006 4.124 ( 0.000 8.041 12.670) 15.006 4.619 ( 0.000 6.988 -12.509) 14.329 4.619 ( 0.000 6.988 12.509) 14.329 4.940 ( 0.000 5.812 -11.364) 12.764 4.940 ( 0.000 5.812 11.364) 12.764 5.168 ( 0.000 1.955 -10.262) 10.447 5.168 ( 0.000 1.955 10.262) 10.447 5.406 ( 0.000 6.451 -6.338) 9.043 5.406 ( 0.000 6.451 6.338) 9.043 5.665 ( 0.000 -3.527 -6.612) 7.494 5.665 ( 0.000 -3.527 6.612) 7.494 5.925 ( 0.000 13.754 -6.863) 15.371 5.925 ( 0.000 13.754 6.863) 15.371 6.247 ( 0.000 10.348 -0.451) 10.357 6.247 ( 0.000 10.348 0.451) 10.357 7.114 ( 0.000 -9.735 -1.166) 9.805 7.114 ( 0.000 -9.735 1.166) 9.805 7.611 ( 0.000 8.594 -5.767) 10.350 7.611 ( 0.000 8.594 5.767) 10.350 9.014 ( 0.000 -5.143 -0.836) 5.210 9.014 ( 0.000 -5.143 0.836) 5.210 9.499 ( 0.000 12.185 -1.835) 12.323 9.499 ( 0.000 12.185 1.835) 12.323 9.730 ( 0.000 -3.603 -4.448) 5.724 9.730 ( 0.000 -3.603 4.448) 5.724 10.797 ( 0.000 -9.941 -3.042) 10.396 10.797 ( 0.000 -9.941 3.042) 10.396 11.012 ( 0.000 -4.476 -0.698) 4.530 11.012 ( 0.000 -4.476 0.698) 4.530 11.493 ( 0.000 -0.269 -0.979) 1.015 11.493 ( 0.000 -0.269 0.979) 1.015 11.754 ( 0.000 -12.573 -1.418) 12.653 11.754 ( 0.000 -12.573 1.418) 12.653 12.136 ( 0.000 10.332 -1.497) 10.440 12.136 ( 0.000 10.332 1.497) 10.440 12.265 ( 0.000 2.955 -1.750) 3.434 12.265 ( 0.000 2.955 1.750) 3.434 12.702 ( 0.000 -6.252 -1.599) 6.453 12.702 ( 0.000 -6.252 1.599) 6.453 13.150 ( 0.000 6.881 -1.298) 7.002 13.150 ( 0.000 6.881 1.298) 7.002 13.404 ( 0.000 9.135 -7.673) 11.930 13.404 ( 0.000 9.135 7.673) 11.930 13.755 ( 0.000 -7.439 -0.983) 7.504 13.755 ( 0.000 -7.439 0.983) 7.504 13.852 ( 0.000 -3.577 -0.116) 3.579 13.852 ( 0.000 -3.577 0.116) 3.579 14.299 ( 0.000 2.606 -0.239) 2.617 14.299 ( 0.000 2.606 0.239) 2.617 14.717 ( 0.000 2.766 -0.256) 2.778 14.717 ( 0.000 2.766 0.256) 2.778 14.798 ( 0.000 -5.512 -8.097) 9.796 14.798 ( 0.000 -5.512 8.097) 9.796 15.066 ( 0.000 -10.713 -2.981) 11.120 15.066 ( 0.000 -10.713 2.981) 11.120 15.312 ( 0.000 -6.576 -2.936) 7.201 15.312 ( 0.000 -6.576 2.936) 7.201 15.649 ( 0.000 5.315 -1.608) 5.553 15.649 ( 0.000 5.315 1.608) 5.553 16.033 ( 0.000 18.214 -8.053) 19.915 16.033 ( 0.000 18.214 8.053) 19.915 16.520 ( 0.000 -1.336 -7.297) 7.419 16.520 ( 0.000 -1.336 7.297) 7.419 17.598 ( 0.000 -2.404 -0.441) 2.444 17.598 ( 0.000 -2.404 0.441) 2.444 17.856 ( 0.000 -13.736 -0.978) 13.771 17.856 ( 0.000 -13.736 0.978) 13.771 18.131 ( 0.000 -3.585 -3.695) 5.148 18.131 ( 0.000 -3.585 3.695) 5.148 18.387 ( 0.000 3.858 -7.676) 8.591 18.387 ( 0.000 3.858 7.676) 8.591 18.640 ( 0.000 -2.829 -7.329) 7.856 18.640 ( 0.000 -2.829 7.329) 7.856 18.955 ( 0.000 6.928 -2.149) 7.253 18.955 ( 0.000 6.928 2.149) 7.253 27.601 ( 0.000 0.718 -0.156) 0.734 27.601 ( 0.000 0.718 0.156) 0.734 27.714 ( 0.000 0.062 -2.931) 2.931 27.714 ( 0.000 0.062 2.931) 2.931 30.089 ( 0.000 -6.668 -5.851) 8.871 30.089 ( 0.000 -6.668 5.851) 8.871 30.178 ( 0.000 -1.233 -2.848) 3.103 30.178 ( 0.000 -1.233 2.848) 3.103 30.317 ( 0.000 6.042 -7.557) 9.675 30.317 ( 0.000 6.042 7.557) 9.675 30.733 ( 0.000 11.705 -5.816) 13.070 30.733 ( 0.000 11.705 5.816) 13.070 31.576 ( 0.000 -4.801 -17.777) 18.414 31.576 ( 0.000 -4.801 17.777) 18.414 32.374 ( 0.000 -3.710 -13.739) 14.231 32.374 ( 0.000 -3.710 13.739) 14.231 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( -0.620 -7.045 -5.079) 8.707 3.538 ( -0.620 -7.045 5.079) 8.707 3.965 ( 10.752 2.433 -5.072) 12.135 3.965 ( 10.752 2.433 5.072) 12.135 4.207 ( 9.284 7.789 -7.969) 14.504 4.207 ( 9.284 7.789 7.969) 14.504 4.542 ( -6.796 4.355 -9.870) 12.750 4.542 ( -6.796 4.355 9.870) 12.750 4.938 ( -1.895 7.174 -7.385) 10.468 4.938 ( -1.895 7.174 7.385) 10.468 5.182 ( 1.753 2.828 -11.236) 11.718 5.182 ( 1.753 2.828 11.236) 11.718 5.384 ( -1.597 4.523 -7.748) 9.113 5.384 ( -1.597 4.523 7.748) 9.113 5.655 ( -1.713 -3.461 -8.854) 9.659 5.655 ( -1.713 -3.461 8.854) 9.659 5.989 ( 6.835 12.294 -7.355) 15.873 5.989 ( 6.835 12.294 7.355) 15.873 6.263 ( 1.612 9.973 -2.051) 10.308 6.263 ( 1.612 9.973 2.051) 10.308 7.000 ( -11.897 -7.678 -3.438) 14.571 7.000 ( -11.897 -7.678 3.438) 14.571 7.560 ( -4.334 8.264 -5.608) 10.887 7.560 ( -4.334 8.264 5.608) 10.887 9.043 ( 2.971 -2.588 -0.430) 3.963 9.043 ( 2.971 -2.588 0.430) 3.963 9.449 ( -3.713 4.007 -1.205) 5.594 9.449 ( -3.713 4.007 1.205) 5.594 9.736 ( 0.431 3.490 -2.384) 4.248 9.736 ( 0.431 3.490 2.384) 4.248 10.656 ( -12.653 -5.429 -4.095) 14.364 10.656 ( -12.653 -5.429 4.095) 14.364 11.109 ( 7.973 -4.260 -0.705) 9.067 11.109 ( 7.973 -4.260 0.705) 9.067 11.473 ( -0.831 -1.997 -0.902) 2.343 11.473 ( -0.831 -1.997 0.902) 2.343 11.803 ( 3.916 -13.588 -2.474) 14.356 11.803 ( 3.916 -13.588 2.474) 14.356 12.053 ( -5.286 0.635 -1.598) 5.559 12.053 ( -5.286 0.635 1.598) 5.559 12.356 ( 5.499 9.770 -1.930) 11.376 12.356 ( 5.499 9.770 1.930) 11.376 12.771 ( 5.567 -3.268 -4.391) 7.807 12.771 ( 5.567 -3.268 4.391) 7.807 13.163 ( 2.699 3.287 -2.607) 4.989 13.163 ( 2.699 3.287 2.607) 4.989 13.428 ( 1.690 6.146 -8.012) 10.239 13.428 ( 1.690 6.146 8.012) 10.239 13.705 ( -4.099 -2.835 -1.625) 5.242 13.705 ( -4.099 -2.835 1.625) 5.242 13.932 ( 6.421 -5.302 -2.511) 8.698 13.932 ( 6.421 -5.302 2.511) 8.698 14.316 ( 1.689 2.579 -3.655) 4.781 14.316 ( 1.689 2.579 3.655) 4.781 14.578 ( -8.872 -1.642 -0.749) 9.054 14.578 ( -8.872 -1.642 0.749) 9.054 14.755 ( -6.564 -0.634 -3.363) 7.403 14.755 ( -6.564 -0.634 3.363) 7.403 15.096 ( 2.712 -11.639 -1.466) 12.041 15.096 ( 2.712 -11.639 1.466) 12.041 15.342 ( 1.777 -4.312 -1.624) 4.939 15.342 ( 1.777 -4.312 1.624) 4.939 15.587 ( -5.508 5.309 -2.545) 8.062 15.587 ( -5.508 5.309 2.545) 8.062 16.037 ( 0.270 17.030 -6.834) 18.352 16.037 ( 0.270 17.030 6.834) 18.352 16.639 ( 10.774 -1.291 -6.411) 12.604 16.639 ( 10.774 -1.291 6.411) 12.604 17.614 ( 1.857 -2.895 -0.983) 3.577 17.614 ( 1.857 -2.895 0.983) 3.577 17.850 ( -0.843 -13.871 -0.568) 13.908 17.850 ( -0.843 -13.871 0.568) 13.908 18.117 ( -1.563 -3.497 -3.030) 4.884 18.117 ( -1.563 -3.497 3.030) 4.884 18.313 ( -6.483 4.125 -6.283) 9.926 18.313 ( -6.483 4.125 6.283) 9.926 18.684 ( 4.065 -1.202 -6.758) 7.978 18.684 ( 4.065 -1.202 6.758) 7.978 18.933 ( -2.253 5.831 -3.037) 6.949 18.933 ( -2.253 5.831 3.037) 6.949 27.610 ( 0.930 0.699 -0.933) 1.491 27.610 ( 0.930 0.699 0.933) 1.491 27.701 ( -1.249 0.159 -2.806) 3.076 27.701 ( -1.249 0.159 2.806) 3.076 30.096 ( 0.616 -6.604 -5.050) 8.336 30.096 ( 0.616 -6.604 5.050) 8.336 30.187 ( 0.586 -1.474 -2.727) 3.155 30.187 ( 0.586 -1.474 2.727) 3.155 30.335 ( 1.989 6.046 -5.819) 8.624 30.335 ( 1.989 6.046 5.819) 8.624 30.711 ( -2.222 11.993 -4.879) 13.137 30.711 ( -2.222 11.993 4.879) 13.137 31.589 ( 1.166 -4.610 -15.027) 15.762 31.589 ( 1.166 -4.610 15.027) 15.762 32.359 ( -1.430 -4.044 -11.603) 12.370 32.359 ( -1.430 -4.044 11.603) 12.370 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -0.375 -7.757 -2.354) 8.115 3.527 ( -0.375 -7.757 2.354) 8.115 4.162 ( 9.334 9.049 -8.454) 15.507 4.162 ( 9.334 9.049 8.454) 15.507 4.333 ( -5.989 6.067 -8.512) 12.047 4.333 ( -5.989 6.067 8.512) 12.047 4.536 ( 13.939 -0.551 -4.511) 14.661 4.536 ( 13.939 -0.551 4.511) 14.661 4.821 ( -10.427 6.588 -5.326) 13.434 4.821 ( -10.427 6.588 5.326) 13.434 5.223 ( 1.517 6.757 -6.961) 9.819 5.223 ( 1.517 6.757 6.961) 9.819 5.378 ( 1.217 2.199 -6.141) 6.636 5.378 ( 1.217 2.199 6.141) 6.636 5.595 ( -3.551 -6.716 -4.873) 9.026 5.595 ( -3.551 -6.716 4.873) 9.026 6.160 ( 8.260 11.520 -5.320) 15.141 6.160 ( 8.260 11.520 5.320) 15.141 6.311 ( 3.799 8.014 -4.300) 9.857 6.311 ( 3.799 8.014 4.300) 9.857 6.708 ( -14.998 -3.010 -4.621) 15.979 6.708 ( -14.998 -3.010 4.621) 15.979 7.489 ( -2.247 7.705 -2.611) 8.440 7.489 ( -2.247 7.705 2.611) 8.440 9.111 ( 3.109 0.576 -0.639) 3.226 9.111 ( 3.109 0.576 0.639) 3.226 9.382 ( -2.921 -3.901 -0.727) 4.927 9.382 ( -2.921 -3.901 0.727) 4.927 9.768 ( 2.654 10.904 -1.376) 11.306 9.768 ( 2.654 10.904 1.376) 11.306 10.409 ( -9.708 -0.978 -3.314) 10.304 10.409 ( -9.708 -0.978 3.314) 10.304 11.245 ( 4.613 -6.546 -0.619) 8.032 11.245 ( 4.613 -6.546 0.619) 8.032 11.469 ( 0.062 -1.467 -0.710) 1.631 11.469 ( 0.062 -1.467 0.710) 1.631 11.880 ( 3.910 -13.059 -1.831) 13.754 11.880 ( 3.910 -13.059 1.831) 13.754 11.963 ( -4.169 -6.506 -1.545) 7.880 11.963 ( -4.169 -6.506 1.545) 7.880 12.428 ( 1.806 13.553 -0.813) 13.696 12.428 ( 1.806 13.553 0.813) 13.696 12.846 ( 1.777 0.898 -2.793) 3.430 12.846 ( 1.777 0.898 2.793) 3.430 13.282 ( 8.638 -4.900 -1.877) 10.107 13.282 ( 8.638 -4.900 1.877) 10.107 13.423 ( -3.654 -3.560 -3.899) 6.421 13.423 ( -3.654 -3.560 3.899) 6.421 13.627 ( -2.767 7.911 -2.334) 8.700 13.627 ( -2.767 7.911 2.334) 8.700 14.034 ( 2.979 -4.999 -1.694) 6.061 14.034 ( 2.979 -4.999 1.694) 6.061 14.333 ( -0.404 1.238 -2.624) 2.930 14.333 ( -0.404 1.238 2.624) 2.930 14.498 ( 1.150 -1.872 -2.137) 3.065 14.498 ( 1.150 -1.872 2.137) 3.065 14.614 ( -6.168 -0.470 -2.266) 6.588 14.614 ( -6.168 -0.470 2.266) 6.588 15.127 ( 0.285 -11.044 -1.945) 11.218 15.127 ( 0.285 -11.044 1.945) 11.218 15.350 ( -0.578 0.365 -1.653) 1.788 15.350 ( -0.578 0.365 1.653) 1.788 15.498 ( -2.480 3.958 -1.676) 4.962 15.498 ( -2.480 3.958 1.676) 4.962 16.040 ( 0.052 15.271 -2.711) 15.510 16.040 ( 0.052 15.271 2.711) 15.510 16.836 ( 6.990 -1.339 -2.960) 7.708 16.836 ( 6.990 -1.339 2.960) 7.708 17.675 ( 4.231 -5.082 -1.894) 6.879 17.675 ( 4.231 -5.082 1.894) 6.879 17.809 ( -3.564 -13.454 -1.438) 13.992 17.809 ( -3.564 -13.454 1.438) 13.992 18.070 ( -2.566 0.050 -1.941) 3.218 18.070 ( -2.566 0.050 1.941) 3.218 18.210 ( -2.825 2.489 -2.442) 4.488 18.210 ( -2.825 2.489 2.442) 4.488 18.776 ( 5.143 1.094 -5.634) 7.707 18.776 ( 5.143 1.094 5.634) 7.707 18.870 ( -4.309 3.692 -4.408) 7.185 18.870 ( -4.309 3.692 4.408) 7.185 27.635 ( 1.569 0.641 -1.694) 2.396 27.635 ( 1.569 0.641 1.694) 2.396 27.671 ( -1.763 0.342 -2.346) 2.954 27.671 ( -1.763 0.342 2.346) 2.954 30.107 ( 0.382 -5.815 -2.238) 6.243 30.107 ( 0.382 -5.815 2.238) 6.243 30.193 ( 0.072 -2.705 -1.506) 3.097 30.193 ( 0.072 -2.705 1.506) 3.097 30.383 ( 2.116 6.002 -1.958) 6.659 30.383 ( 2.116 6.002 1.958) 6.659 30.663 ( -1.985 12.639 -2.087) 12.963 30.663 ( -1.985 12.639 2.087) 12.963 31.611 ( 0.788 -4.215 -6.186) 7.527 31.611 ( 0.788 -4.215 6.186) 7.527 32.332 ( -0.944 -4.641 -4.787) 6.733 32.332 ( -0.944 -4.641 4.787) 6.733 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 0.000 -5.406 -14.914) 15.863 3.417 ( 0.000 -5.406 14.914) 15.863 3.844 ( 0.000 -0.973 -4.931) 5.026 3.844 ( 0.000 -0.973 4.931) 5.026 4.201 ( 0.000 2.583 -6.856) 7.326 4.201 ( 0.000 2.583 6.856) 7.326 4.827 ( 0.000 -1.057 -18.208) 18.238 4.827 ( 0.000 -1.057 18.208) 18.238 5.033 ( 0.000 7.075 -8.272) 10.885 5.033 ( 0.000 7.075 8.272) 10.885 5.218 ( 0.000 11.797 -1.198) 11.857 5.218 ( 0.000 11.797 1.198) 11.857 5.640 ( 0.000 13.647 -6.906) 15.295 5.640 ( 0.000 13.647 6.906) 15.295 5.746 ( 0.000 9.694 -16.367) 19.022 5.746 ( 0.000 9.694 16.367) 19.022 6.248 ( 0.000 13.556 -7.112) 15.308 6.248 ( 0.000 13.556 7.112) 15.308 6.437 ( 0.000 9.758 -3.614) 10.406 6.437 ( 0.000 9.758 3.614) 10.406 6.947 ( 0.000 -5.861 -6.978) 9.113 6.947 ( 0.000 -5.861 6.978) 9.113 7.687 ( 0.000 -2.515 -1.373) 2.865 7.687 ( 0.000 -2.515 1.373) 2.865 8.980 ( 0.000 3.068 -1.401) 3.373 8.980 ( 0.000 3.068 1.401) 3.373 9.594 ( 0.000 -2.575 -1.851) 3.171 9.594 ( 0.000 -2.575 1.851) 3.171 9.888 ( 0.000 19.024 -0.001) 19.024 9.888 ( 0.000 19.024 0.001) 19.024 10.539 ( 0.000 -13.685 -0.652) 13.701 10.539 ( 0.000 -13.685 0.652) 13.701 10.925 ( 0.000 -4.553 -1.634) 4.837 10.925 ( 0.000 -4.553 1.634) 4.837 11.316 ( 0.000 -14.485 -3.608) 14.928 11.316 ( 0.000 -14.485 3.608) 14.928 11.662 ( 0.000 3.149 -1.850) 3.652 11.662 ( 0.000 3.149 1.850) 3.652 12.207 ( 0.000 -8.520 -0.952) 8.573 12.207 ( 0.000 -8.520 0.952) 8.573 12.338 ( 0.000 6.229 -1.234) 6.350 12.338 ( 0.000 6.229 1.234) 6.350 12.633 ( 0.000 -1.820 -6.609) 6.855 12.633 ( 0.000 -1.820 6.609) 6.855 13.264 ( 0.000 5.836 -1.920) 6.144 13.264 ( 0.000 5.836 1.920) 6.144 13.472 ( 0.000 -8.718 -7.886) 11.755 13.472 ( 0.000 -8.718 7.886) 11.755 13.630 ( 0.000 5.383 -2.185) 5.809 13.630 ( 0.000 5.383 2.185) 5.809 13.913 ( 0.000 5.235 -4.280) 6.761 13.913 ( 0.000 5.235 4.280) 6.761 14.300 ( 0.000 -2.273 -1.886) 2.954 14.300 ( 0.000 -2.273 1.886) 2.954 14.631 ( 0.000 -6.115 -3.942) 7.275 14.631 ( 0.000 -6.115 3.942) 7.275 14.801 ( 0.000 0.313 -0.378) 0.490 14.801 ( 0.000 0.313 0.378) 0.490 14.900 ( 0.000 -4.159 -0.582) 4.200 14.900 ( 0.000 -4.159 0.582) 4.200 15.202 ( 0.000 -3.530 -3.411) 4.909 15.202 ( 0.000 -3.530 3.411) 4.909 15.771 ( 0.000 6.094 -0.306) 6.101 15.771 ( 0.000 6.094 0.306) 6.101 16.327 ( 0.000 7.307 -10.971) 13.182 16.327 ( 0.000 7.307 10.971) 13.182 16.505 ( 0.000 1.416 -4.503) 4.720 16.505 ( 0.000 1.416 4.503) 4.720 17.517 ( 0.000 -6.908 -0.477) 6.924 17.517 ( 0.000 -6.908 0.477) 6.924 17.585 ( 0.000 -8.670 -0.557) 8.688 17.585 ( 0.000 -8.670 0.557) 8.688 18.072 ( 0.000 -1.993 -4.070) 4.532 18.072 ( 0.000 -1.993 4.070) 4.532 18.447 ( 0.000 0.989 -2.109) 2.330 18.447 ( 0.000 0.989 2.109) 2.330 18.577 ( 0.000 -2.105 -1.558) 2.619 18.577 ( 0.000 -2.105 1.558) 2.619 19.085 ( 0.000 4.998 -2.701) 5.681 19.085 ( 0.000 4.998 2.701) 5.681 27.621 ( 0.000 1.083 -0.098) 1.088 27.621 ( 0.000 1.083 0.098) 1.088 27.718 ( 0.000 0.350 -2.518) 2.543 27.718 ( 0.000 0.350 2.518) 2.543 29.967 ( 0.000 -4.816 -3.875) 6.181 29.967 ( 0.000 -4.816 3.875) 6.181 30.158 ( 0.000 -0.842 -1.223) 1.485 30.158 ( 0.000 -0.842 1.223) 1.485 30.475 ( 0.000 9.001 -9.872) 13.359 30.475 ( 0.000 9.001 9.872) 13.359 30.980 ( 0.000 11.267 -6.947) 13.237 30.980 ( 0.000 11.267 6.947) 13.237 31.439 ( 0.000 -8.160 -17.727) 19.515 31.439 ( 0.000 -8.160 17.727) 19.515 32.279 ( 0.000 -5.079 -11.819) 12.864 32.279 ( 0.000 -5.079 11.819) 12.864 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 0.006 -4.013 -11.368) 12.055 3.419 ( 0.006 -4.013 11.368) 12.055 3.939 ( 8.219 -4.468 -1.490) 9.473 3.939 ( 8.219 -4.468 1.490) 9.473 4.282 ( 9.074 3.025 -1.012) 9.619 4.282 ( 9.074 3.025 1.012) 9.619 4.808 ( -1.994 6.924 -14.533) 16.221 4.808 ( -1.994 6.924 14.533) 16.221 4.985 ( -4.904 2.136 -5.490) 7.665 4.985 ( -4.904 2.136 5.490) 7.665 5.230 ( 1.387 9.174 -2.002) 9.492 5.230 ( 1.387 9.174 2.002) 9.492 5.584 ( -4.114 11.662 -12.172) 17.352 5.584 ( -4.114 11.662 12.172) 17.352 5.725 ( -4.084 8.337 -14.815) 17.484 5.725 ( -4.084 8.337 14.815) 17.484 6.268 ( 2.420 10.088 -7.316) 12.695 6.268 ( 2.420 10.088 7.316) 12.695 6.456 ( 2.200 10.936 -2.737) 11.486 6.456 ( 2.200 10.936 2.737) 11.486 6.890 ( -6.177 -2.080 -8.084) 10.384 6.890 ( -6.177 -2.080 8.084) 10.384 7.653 ( -2.818 -0.332 -3.582) 4.569 7.653 ( -2.818 -0.332 3.582) 4.569 9.044 ( 6.045 3.782 -1.082) 7.212 9.044 ( 6.045 3.782 1.082) 7.212 9.510 ( -6.644 2.040 -1.850) 7.192 9.510 ( -6.644 2.040 1.850) 7.192 9.926 ( 3.173 14.953 -0.414) 15.291 9.926 ( 3.173 14.953 0.414) 15.291 10.489 ( -5.383 -9.782 -2.064) 11.355 10.489 ( -5.383 -9.782 2.064) 11.355 10.975 ( 3.940 -8.996 -0.825) 9.855 10.975 ( 3.940 -8.996 0.825) 9.855 11.372 ( 5.633 -9.557 -3.900) 11.759 11.372 ( 5.633 -9.557 3.900) 11.759 11.639 ( -1.843 0.649 -2.503) 3.175 11.639 ( -1.843 0.649 2.503) 3.175 12.055 ( -11.563 -2.241 -1.828) 11.919 12.055 ( -11.563 -2.241 1.828) 11.919 12.402 ( 6.845 -4.878 -0.486) 8.419 12.402 ( 6.845 -4.878 0.486) 8.419 12.764 ( 7.964 -0.149 -3.054) 8.531 12.764 ( 7.964 -0.149 3.054) 8.531 13.198 ( -3.939 2.061 -2.033) 4.889 13.198 ( -3.939 2.061 2.033) 4.889 13.446 ( -3.445 -3.309 -9.524) 10.654 13.446 ( -3.445 -3.309 9.524) 10.654 13.716 ( 6.932 3.833 -2.267) 8.239 13.716 ( 6.932 3.833 2.267) 8.239 13.919 ( 0.557 2.930 -3.633) 4.700 13.919 ( 0.557 2.930 3.633) 4.700 14.291 ( -1.114 -4.385 -1.931) 4.919 14.291 ( -1.114 -4.385 1.931) 4.919 14.565 ( -3.412 1.148 -0.873) 3.704 14.565 ( -3.412 1.148 0.873) 3.704 14.721 ( -7.059 -4.221 -3.326) 8.872 14.721 ( -7.059 -4.221 3.326) 8.872 14.938 ( 2.075 -2.086 -1.783) 3.441 14.938 ( 2.075 -2.086 1.783) 3.441 15.266 ( 5.211 -3.004 -3.385) 6.902 15.266 ( 5.211 -3.004 3.385) 6.902 15.697 ( -6.492 4.959 -0.997) 8.230 15.697 ( -6.492 4.959 0.997) 8.230 16.343 ( 0.553 10.946 -8.568) 13.912 16.343 ( 0.553 10.946 8.568) 13.912 16.603 ( 9.478 -1.892 -3.721) 10.356 16.603 ( 9.478 -1.892 3.721) 10.356 17.506 ( -0.820 -9.003 -1.561) 9.174 17.506 ( -0.820 -9.003 1.561) 9.174 17.589 ( -0.030 -7.895 -1.510) 8.038 17.589 ( -0.030 -7.895 1.510) 8.038 18.070 ( 0.069 -0.950 -3.901) 4.015 18.070 ( 0.069 -0.950 3.901) 4.015 18.365 ( -6.372 0.894 -4.057) 7.607 18.365 ( -6.372 0.894 4.057) 7.607 18.658 ( 6.442 -0.901 -4.225) 7.756 18.658 ( 6.442 -0.901 4.225) 7.756 19.045 ( -4.042 4.271 -3.036) 6.618 19.045 ( -4.042 4.271 3.036) 6.618 27.629 ( 0.876 1.059 -0.745) 1.563 27.629 ( 0.876 1.059 0.745) 1.563 27.708 ( -1.024 0.470 -2.379) 2.633 27.708 ( -1.024 0.470 2.379) 2.633 29.983 ( 1.635 -4.181 -3.173) 5.498 29.983 ( 1.635 -4.181 3.173) 5.498 30.163 ( -0.011 -0.882 -1.119) 1.425 30.163 ( -0.011 -0.882 1.119) 1.425 30.481 ( 1.058 7.920 -7.429) 10.910 30.481 ( 1.058 7.920 7.429) 10.910 30.959 ( -2.202 10.715 -5.389) 12.194 30.959 ( -2.202 10.715 5.389) 12.194 31.468 ( 2.718 -6.324 -15.307) 16.783 31.468 ( 2.718 -6.324 15.307) 16.783 32.252 ( -2.555 -5.913 -10.345) 12.187 32.252 ( -2.555 -5.913 10.345) 12.187 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( -0.200 -2.587 -4.056) 4.815 3.416 ( -0.200 -2.587 4.056) 4.815 4.066 ( 3.718 -8.647 -4.397) 10.389 4.066 ( 3.718 -8.647 4.397) 10.389 4.545 ( 16.050 1.966 -5.531) 17.089 4.545 ( 16.050 1.966 5.531) 17.089 4.763 ( -1.839 21.429 -5.947) 22.315 4.763 ( -1.839 21.429 5.947) 22.315 4.845 ( -9.880 -3.689 -1.705) 10.683 4.845 ( -9.880 -3.689 1.705) 10.683 5.281 ( 4.069 3.072 -1.415) 5.291 5.281 ( 4.069 3.072 1.415) 5.291 5.469 ( -7.978 3.901 -11.414) 14.462 5.469 ( -7.978 3.901 11.414) 14.462 5.642 ( -2.135 10.029 -4.302) 11.120 5.642 ( -2.135 10.029 4.302) 11.120 6.323 ( 2.224 3.598 -4.043) 5.852 6.323 ( 2.224 3.598 4.043) 5.852 6.537 ( 6.620 9.420 -1.642) 11.630 6.537 ( 6.620 9.420 1.642) 11.630 6.723 ( -10.049 8.471 -6.657) 14.733 6.723 ( -10.049 8.471 6.657) 14.733 7.610 ( -1.213 3.093 -2.236) 4.005 7.610 ( -1.213 3.093 2.236) 4.005 9.163 ( 4.708 5.157 -0.411) 6.995 9.163 ( 4.708 5.157 0.411) 6.995 9.402 ( -3.659 5.134 -1.066) 6.394 9.402 ( -3.659 5.134 1.066) 6.394 10.003 ( 4.357 12.790 -1.519) 13.597 10.003 ( 4.357 12.790 1.519) 13.597 10.347 ( -7.425 -4.625 -2.653) 9.141 10.347 ( -7.425 -4.625 2.653) 9.141 11.038 ( 2.090 -13.672 -0.106) 13.831 11.038 ( 2.090 -13.672 0.106) 13.831 11.486 ( 4.148 1.127 -3.175) 5.344 11.486 ( 4.148 1.127 3.175) 5.344 11.628 ( 1.469 -7.652 -1.255) 7.892 11.628 ( 1.469 -7.652 1.255) 7.892 11.859 ( -7.653 -5.053 -1.454) 9.285 11.859 ( -7.653 -5.053 1.454) 9.285 12.548 ( 6.115 -4.628 -0.804) 7.711 12.548 ( 6.115 -4.628 0.804) 7.711 12.842 ( 0.973 -2.053 -3.628) 4.281 12.842 ( 0.973 -2.053 3.628) 4.281 13.152 ( -1.780 -2.294 -2.774) 4.016 13.152 ( -1.780 -2.294 2.774) 4.016 13.374 ( -2.415 -2.004 -4.331) 5.349 13.374 ( -2.415 -2.004 4.331) 5.349 13.821 ( 3.096 8.530 -0.658) 9.099 13.821 ( 3.096 8.530 0.658) 9.099 13.930 ( 0.373 -3.860 -1.810) 4.280 13.930 ( 0.373 -3.860 1.810) 4.280 14.277 ( 0.201 -4.967 -1.336) 5.148 14.277 ( 0.201 -4.967 1.336) 5.148 14.551 ( 0.547 3.761 -4.398) 5.813 14.551 ( 0.547 3.761 4.398) 5.813 14.589 ( -4.749 0.155 -3.794) 6.080 14.589 ( -4.749 0.155 3.794) 6.080 14.953 ( -0.091 -5.218 -1.465) 5.421 14.953 ( -0.091 -5.218 1.465) 5.421 15.357 ( 3.458 0.248 -2.416) 4.226 15.357 ( 3.458 0.248 2.416) 4.226 15.577 ( -4.648 3.214 -1.398) 5.822 15.577 ( -4.648 3.214 1.398) 5.822 16.344 ( -0.158 12.852 -3.062) 13.212 16.344 ( -0.158 12.852 3.062) 13.212 16.782 ( 6.507 -4.005 -1.615) 7.809 16.782 ( 6.507 -4.005 1.615) 7.809 17.493 ( -0.438 -12.768 -1.472) 12.860 17.493 ( -0.438 -12.768 1.472) 12.860 17.578 ( -0.758 -6.637 -1.300) 6.805 17.578 ( -0.758 -6.637 1.300) 6.805 18.084 ( 1.276 1.624 -3.225) 3.829 18.084 ( 1.276 1.624 3.225) 3.829 18.249 ( -4.560 1.279 -2.913) 5.560 18.249 ( -4.560 1.279 2.913) 5.560 18.791 ( 6.894 0.463 -3.867) 7.918 18.791 ( 6.894 0.463 3.867) 7.918 18.942 ( -6.125 2.682 -3.408) 7.505 18.942 ( -6.125 2.682 3.408) 7.505 27.652 ( 1.464 0.958 -1.422) 2.255 27.652 ( 1.464 0.958 1.422) 2.255 27.682 ( -1.554 0.724 -1.990) 2.627 27.682 ( -1.554 0.724 1.990) 2.627 30.021 ( 1.748 -2.516 -1.500) 3.411 30.021 ( 1.748 -2.516 1.500) 3.411 30.146 ( -1.294 -1.850 -0.940) 2.446 30.146 ( -1.294 -1.850 0.940) 2.446 30.516 ( 1.855 6.867 -2.397) 7.506 30.516 ( 1.855 6.867 2.397) 7.506 30.910 ( -2.077 9.369 -1.942) 9.791 30.910 ( -2.077 9.369 1.942) 9.791 31.521 ( 1.985 -2.937 -6.558) 7.454 31.521 ( 1.985 -2.937 6.558) 7.454 32.203 ( -1.823 -7.653 -4.620) 9.124 32.203 ( -1.823 -7.653 4.620) 9.124 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.000 -1.615 -12.867) 12.968 3.345 ( 0.000 -1.615 12.867) 12.968 3.780 ( 0.000 -4.347 -0.607) 4.389 3.780 ( 0.000 -4.347 0.607) 4.389 4.309 ( 0.000 7.586 -0.651) 7.614 4.309 ( 0.000 7.586 0.651) 7.614 4.668 ( 0.000 -9.400 -11.019) 14.483 4.668 ( 0.000 -9.400 11.019) 14.483 5.082 ( 0.000 0.516 -0.218) 0.561 5.082 ( 0.000 0.517 0.218) 0.561 5.673 ( 0.000 22.978 -10.305) 25.183 5.673 ( 0.000 22.978 10.305) 25.183 5.870 ( 0.000 6.383 -5.972) 8.741 5.870 ( 0.000 6.383 5.972) 8.741 5.944 ( 0.000 9.569 -19.622) 21.830 5.944 ( 0.000 9.569 19.622) 21.830 6.359 ( 0.000 -0.724 -12.037) 12.059 6.359 ( 0.000 -0.724 12.037) 12.059 6.698 ( 0.000 11.868 -3.332) 12.327 6.698 ( 0.000 11.868 3.332) 12.327 6.880 ( 0.000 -1.155 -7.552) 7.640 6.880 ( 0.000 -1.155 7.552) 7.640 7.543 ( 0.000 -8.709 -2.066) 8.951 7.543 ( 0.000 -8.709 2.066) 8.951 9.135 ( 0.000 10.753 -3.470) 11.299 9.135 ( 0.000 10.753 3.470) 11.299 9.526 ( 0.000 -4.568 -1.268) 4.741 9.526 ( 0.000 -4.568 1.268) 4.741 10.276 ( 0.000 -1.230 -0.042) 1.231 10.276 ( 0.000 -1.230 0.042) 1.231 10.347 ( 0.000 12.002 -1.494) 12.095 10.347 ( 0.000 12.002 1.494) 12.095 10.753 ( 0.000 -7.383 -2.421) 7.770 10.753 ( 0.000 -7.383 2.421) 7.770 11.183 ( 0.000 0.933 -0.407) 1.018 11.183 ( 0.000 0.933 0.407) 1.018 11.633 ( 0.000 -12.123 -3.946) 12.749 11.633 ( 0.000 -12.123 3.946) 12.749 11.993 ( 0.000 -5.497 -0.387) 5.511 11.993 ( 0.000 -5.497 0.387) 5.511 12.397 ( 0.000 -0.041 -3.647) 3.648 12.397 ( 0.000 -0.041 3.647) 3.648 12.572 ( 0.000 -3.903 -5.155) 6.466 12.572 ( 0.000 -3.903 5.155) 6.466 13.330 ( 0.000 -1.944 -5.147) 5.501 13.330 ( 0.000 -1.944 5.147) 5.501 13.436 ( 0.000 8.000 -6.200) 10.121 13.436 ( 0.000 8.000 6.200) 10.121 13.702 ( 0.000 0.174 -5.674) 5.677 13.702 ( 0.000 0.174 5.674) 5.677 13.983 ( 0.000 0.001 -8.369) 8.369 13.983 ( 0.000 0.001 8.370) 8.370 14.261 ( 0.000 1.049 -7.651) 7.722 14.261 ( 0.000 1.049 7.651) 7.722 14.594 ( 0.000 1.911 -2.166) 2.888 14.594 ( 0.000 1.911 2.166) 2.888 14.711 ( 0.000 -6.034 -0.404) 6.047 14.711 ( 0.000 -6.034 0.404) 6.047 14.844 ( 0.000 -4.316 -1.931) 4.728 14.844 ( 0.000 -4.316 1.931) 4.728 15.207 ( 0.000 3.408 -3.288) 4.736 15.207 ( 0.000 3.408 3.288) 4.736 15.878 ( 0.000 3.904 -0.387) 3.923 15.878 ( 0.000 3.904 0.387) 3.923 16.335 ( 0.000 -2.766 -3.623) 4.558 16.335 ( 0.000 -2.766 3.623) 4.558 16.548 ( 0.000 0.062 -6.319) 6.319 16.548 ( 0.000 0.062 6.319) 6.319 17.395 ( 0.000 -2.073 -6.143) 6.483 17.395 ( 0.000 -2.073 6.143) 6.483 17.498 ( 0.000 -2.505 -5.823) 6.339 17.498 ( 0.000 -2.505 5.823) 6.339 18.047 ( 0.000 -0.619 -1.655) 1.767 18.047 ( 0.000 -0.619 1.655) 1.767 18.420 ( 0.000 -2.303 -1.860) 2.961 18.420 ( 0.000 -2.303 1.860) 2.961 18.577 ( 0.000 1.094 -2.730) 2.941 18.577 ( 0.000 1.094 2.730) 2.941 19.153 ( 0.000 1.803 -1.830) 2.569 19.153 ( 0.000 1.803 1.830) 2.569 27.642 ( 0.000 0.833 -0.053) 0.835 27.642 ( 0.000 0.833 0.053) 0.835 27.727 ( 0.000 0.391 -1.464) 1.515 27.727 ( 0.000 0.391 1.464) 1.515 29.896 ( 0.000 -2.206 -1.663) 2.763 29.896 ( 0.000 -2.206 1.663) 2.763 30.143 ( 0.000 -0.618 -0.704) 0.937 30.143 ( 0.000 -0.618 0.704) 0.937 30.671 ( 0.000 9.697 -10.972) 14.643 30.671 ( 0.000 9.697 10.972) 14.643 31.139 ( 0.000 0.997 -1.869) 2.118 31.139 ( 0.000 0.997 1.869) 2.118 31.284 ( 0.000 -3.731 -12.070) 12.633 31.284 ( 0.000 -3.731 12.070) 12.634 32.186 ( 0.000 -3.499 -7.437) 8.219 32.186 ( 0.000 -3.499 7.437) 8.219 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 3.354 0.688 -11.291) 11.799 3.386 ( 3.354 0.688 11.291) 11.799 3.806 ( 2.562 -7.315 -3.554) 8.527 3.806 ( 2.562 -7.315 3.554) 8.527 4.390 ( 8.325 6.793 -3.045) 11.167 4.390 ( 8.325 6.793 3.045) 11.167 4.708 ( 4.332 -7.784 -10.711) 13.932 4.708 ( 4.332 -7.784 10.711) 13.932 5.038 ( -4.818 0.620 -3.074) 5.749 5.038 ( -4.818 0.620 3.074) 5.749 5.633 ( -4.542 21.959 -8.657) 24.037 5.633 ( -4.542 21.959 8.657) 24.037 5.747 ( -10.761 3.917 -9.185) 14.680 5.747 ( -10.761 3.917 9.185) 14.680 5.907 ( -3.304 8.937 -8.888) 13.030 5.907 ( -3.304 8.937 8.888) 13.030 6.322 ( -1.533 -3.139 -8.696) 9.371 6.322 ( -1.533 -3.139 8.696) 9.371 6.676 ( -5.733 5.342 -2.793) 8.319 6.676 ( -5.733 5.342 2.793) 8.319 6.945 ( 7.985 7.939 -6.531) 13.017 6.945 ( 7.985 7.939 6.531) 13.017 7.578 ( 2.732 -4.919 -3.455) 6.603 7.578 ( 2.732 -4.919 3.455) 6.603 9.197 ( 5.970 10.042 -2.695) 11.989 9.197 ( 5.970 10.042 2.695) 11.989 9.520 ( -0.628 -1.712 -1.492) 2.356 9.520 ( -0.628 -1.712 1.492) 2.356 10.249 ( -2.140 4.252 -1.144) 4.895 10.249 ( -2.140 4.252 1.144) 4.895 10.365 ( 1.448 6.905 -2.543) 7.500 10.365 ( 1.448 6.905 2.543) 7.500 10.742 ( -0.975 -8.143 -1.816) 8.400 10.742 ( -0.975 -8.143 1.816) 8.400 11.273 ( 8.005 -0.551 -0.346) 8.032 11.273 ( 8.005 -0.551 0.346) 8.032 11.610 ( -2.346 -9.866 -3.575) 10.753 11.610 ( -2.346 -9.866 3.575) 10.753 11.903 ( -8.972 -7.725 -0.278) 11.843 11.903 ( -8.972 -7.725 0.278) 11.843 12.346 ( 0.259 1.334 -2.275) 2.650 12.346 ( 0.259 1.334 2.275) 2.650 12.682 ( 5.985 -6.244 -1.353) 8.754 12.682 ( 5.985 -6.244 1.353) 8.754 13.245 ( -4.569 0.870 -2.847) 5.453 13.245 ( -4.569 0.870 2.847) 5.453 13.433 ( -4.626 2.047 -7.923) 9.400 13.433 ( -4.626 2.047 7.923) 9.400 13.762 ( 6.137 0.736 -5.059) 7.987 13.762 ( 6.137 0.736 5.059) 7.987 13.973 ( -0.861 0.369 -6.896) 6.959 13.973 ( -0.861 0.369 6.896) 6.959 14.240 ( -1.412 1.840 -4.968) 5.482 14.240 ( -1.412 1.840 4.968) 5.482 14.571 ( -5.198 -5.055 -4.513) 8.541 14.571 ( -5.198 -5.055 4.513) 8.541 14.645 ( 1.738 1.866 -3.355) 4.214 14.645 ( 1.738 1.866 3.355) 4.214 14.936 ( 2.540 -0.709 -1.836) 3.213 14.936 ( 2.540 -0.709 1.836) 3.213 15.243 ( 4.686 1.189 -3.742) 6.114 15.243 ( 4.686 1.189 3.742) 6.114 15.771 ( -8.780 2.026 -0.783) 9.045 15.771 ( -8.780 2.026 0.783) 9.045 16.440 ( 7.532 -0.322 -3.893) 8.485 16.440 ( 7.532 -0.322 3.893) 8.485 16.578 ( 3.674 -0.884 -3.922) 5.446 16.578 ( 3.674 -0.884 3.922) 5.446 17.364 ( -2.724 -2.420 -5.087) 6.257 17.364 ( -2.724 -2.420 5.087) 6.257 17.486 ( -1.339 -3.959 -5.245) 6.707 17.486 ( -1.339 -3.959 5.245) 6.707 18.070 ( 2.417 0.652 -2.623) 3.625 18.070 ( 2.417 0.652 2.623) 3.625 18.361 ( -4.826 -0.799 -2.297) 5.405 18.361 ( -4.826 -0.799 2.297) 5.405 18.652 ( 6.551 0.143 -2.765) 7.111 18.652 ( 6.551 0.143 2.765) 7.111 19.101 ( -5.156 1.421 -1.984) 5.704 19.101 ( -5.156 1.421 1.984) 5.704 27.650 ( 0.825 0.818 -0.410) 1.232 27.650 ( 0.825 0.818 0.410) 1.232 27.718 ( -0.826 0.464 -1.370) 1.666 27.718 ( -0.826 0.464 1.370) 1.666 29.924 ( 2.903 -1.711 -1.277) 3.604 29.924 ( 2.903 -1.711 1.277) 3.604 30.149 ( -0.098 -0.535 -0.555) 0.777 30.149 ( -0.098 -0.535 0.555) 0.777 30.649 ( -1.175 7.991 -7.743) 11.189 30.649 ( -1.175 7.991 7.743) 11.189 31.073 ( -5.246 -1.089 -4.134) 6.767 31.073 ( -5.246 -1.089 4.134) 6.767 31.394 ( 8.983 0.581 -10.643) 13.939 31.394 ( 8.983 0.581 10.643) 13.939 32.138 ( -4.781 -4.621 -7.071) 9.707 32.138 ( -4.781 -4.621 7.071) 9.707 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 1.300 4.462 -4.631) 6.561 3.435 ( 1.300 4.462 4.631) 6.561 3.856 ( 1.791 -11.629 -2.466) 12.022 3.856 ( 1.791 -11.629 2.466) 12.022 4.596 ( 11.625 2.425 -4.955) 12.868 4.596 ( 11.625 2.425 4.955) 12.868 4.781 ( -3.297 -0.964 -2.307) 4.138 4.781 ( -3.297 -0.964 2.307) 4.138 4.977 ( 5.515 1.209 -6.901) 8.916 4.977 ( 5.515 1.209 6.901) 8.916 5.390 ( -17.556 0.168 -9.772) 20.093 5.390 ( -17.556 0.168 9.772) 20.093 5.631 ( -1.209 17.042 -3.735) 17.489 5.631 ( -1.208 17.042 3.735) 17.489 5.879 ( -0.058 11.071 -2.654) 11.384 5.879 ( -0.058 11.071 2.654) 11.384 6.322 ( 0.986 -3.449 -2.986) 4.667 6.322 ( 0.986 -3.449 2.986) 4.667 6.541 ( -5.729 -5.399 -1.999) 8.122 6.541 ( -5.729 -5.399 1.999) 8.122 7.085 ( 4.520 20.412 -2.795) 21.092 7.085 ( 4.520 20.412 2.795) 21.092 7.618 ( 1.084 -2.281 -2.133) 3.305 7.618 ( 1.084 -2.281 2.133) 3.305 9.317 ( 4.848 8.883 -1.163) 10.187 9.317 ( 4.848 8.883 1.163) 10.187 9.502 ( -1.019 2.599 -0.927) 2.941 9.502 ( -1.019 2.599 0.927) 2.941 10.230 ( 0.394 1.236 -1.683) 2.125 10.230 ( 0.394 1.236 1.683) 2.125 10.369 ( -1.134 14.168 -2.708) 14.469 10.369 ( -1.134 14.168 2.708) 14.469 10.729 ( -0.171 -11.763 -0.401) 11.771 10.729 ( -0.171 -11.763 0.401) 11.771 11.432 ( 7.416 -7.294 -1.388) 10.494 11.432 ( 7.416 -7.294 1.388) 10.494 11.558 ( -2.636 -5.286 -1.945) 6.219 11.558 ( -2.636 -5.286 1.945) 6.219 11.719 ( -7.823 -6.130 -0.435) 9.948 11.719 ( -7.823 -6.130 0.435) 9.948 12.418 ( 4.623 -1.278 -0.205) 4.801 12.418 ( 4.623 -1.278 0.205) 4.801 12.742 ( 0.769 -6.882 -2.662) 7.418 12.742 ( 0.769 -6.882 2.662) 7.418 13.184 ( -2.527 1.730 -2.688) 4.075 13.184 ( -2.527 1.730 2.688) 4.075 13.311 ( -4.586 -3.726 -4.977) 7.726 13.311 ( -4.586 -3.726 4.977) 7.726 13.863 ( 2.755 0.649 -4.204) 5.069 13.863 ( 2.755 0.649 4.204) 5.069 13.967 ( 0.465 1.493 -4.937) 5.179 13.967 ( 0.465 1.493 4.937) 5.179 14.232 ( 0.375 2.379 -1.340) 2.756 14.232 ( 0.375 2.379 1.340) 2.756 14.483 ( -2.964 -5.567 -3.208) 7.076 14.483 ( -2.964 -5.567 3.208) 7.076 14.720 ( 4.256 6.591 -1.692) 8.026 14.720 ( 4.256 6.591 1.692) 8.026 14.907 ( -3.470 -0.089 -0.847) 3.573 14.907 ( -3.470 -0.089 0.847) 3.573 15.368 ( 6.431 1.166 -2.712) 7.076 15.368 ( 6.431 1.166 2.712) 7.076 15.607 ( -7.124 -0.583 -1.573) 7.319 15.607 ( -7.124 -0.583 1.573) 7.319 16.526 ( 1.680 4.735 -2.462) 5.595 16.526 ( 1.680 4.735 2.462) 5.595 16.683 ( 4.780 -5.039 -0.764) 6.987 16.683 ( 4.780 -5.039 0.764) 6.987 17.313 ( -1.935 -3.190 -2.222) 4.342 17.313 ( -1.935 -3.190 2.222) 4.342 17.457 ( -1.117 -5.653 -2.266) 6.192 17.457 ( -1.117 -5.653 2.266) 6.192 18.132 ( 3.443 2.622 -2.735) 5.119 18.132 ( 3.443 2.622 2.735) 5.119 18.265 ( -4.488 0.240 -2.294) 5.046 18.265 ( -4.488 0.240 2.294) 5.046 18.797 ( 8.069 0.242 -2.494) 8.449 18.797 ( 8.069 0.242 2.494) 8.449 18.972 ( -7.734 0.383 -2.211) 8.053 18.972 ( -7.734 0.383 2.211) 8.053 27.671 ( 1.315 0.753 -0.786) 1.707 27.671 ( 1.315 0.753 0.786) 1.707 27.697 ( -1.317 0.621 -1.120) 1.836 27.697 ( -1.317 0.621 1.120) 1.836 29.997 ( 4.015 -0.169 -0.658) 4.072 29.997 ( 4.015 -0.169 0.658) 4.072 30.115 ( -3.062 -1.176 -0.637) 3.342 30.115 ( -3.062 -1.176 0.637) 3.342 30.659 ( 1.720 6.968 -2.528) 7.610 30.659 ( 1.720 6.968 2.528) 7.610 30.973 ( -4.037 -3.089 -1.641) 5.341 30.973 ( -4.037 -3.089 1.641) 5.341 31.559 ( 6.332 6.453 -5.375) 10.518 31.559 ( 6.332 6.453 5.375) 10.518 32.033 ( -4.608 -8.406 -4.207) 10.469 32.033 ( -4.608 -8.406 4.207) 10.469 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 0.000 0.000 -0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 -0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 -0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 -0.000 0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 -0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 -0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 -0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 -0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 -0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 -0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 -0.000 -0.000) 0.000 11.300 ( 0.000 -0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 -0.000 0.000) 0.000 12.377 ( 0.000 -0.000 0.000) 0.000 12.522 ( 0.000 -0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 -0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 -0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.964 ( 0.000 -0.000 0.000) 0.000 13.964 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 -0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.649 ( 0.000 -0.000 -0.000) 0.000 14.649 ( 0.000 0.000 -0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 15.258 ( 0.000 0.000 0.000) 0.000 15.258 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.534 ( 0.000 0.000 0.000) 0.000 16.534 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 -0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 -0.000 -0.000) 0.000 17.468 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.590 ( 0.000 0.000 0.000) 0.000 18.590 ( 0.000 -0.000 0.000) 0.000 19.169 ( 0.000 0.000 0.000) 0.000 19.169 ( 0.000 0.000 0.000) 0.000 27.651 ( 0.000 0.000 0.000) 0.000 27.651 ( 0.000 0.000 0.000) 0.000 27.731 ( 0.000 0.000 0.000) 0.000 27.731 ( 0.000 0.000 0.000) 0.000 29.874 ( 0.000 0.000 0.000) 0.000 29.874 ( 0.000 0.000 0.000) 0.000 30.136 ( 0.000 0.000 0.000) 0.000 30.136 ( 0.000 0.000 0.000) 0.000 30.810 ( 0.000 -0.000 0.000) 0.000 30.810 ( 0.000 0.000 0.000) 0.000 31.064 ( 0.000 0.000 0.000) 0.000 31.064 ( 0.000 0.000 0.000) 0.000 31.293 ( 0.000 -0.000 0.000) 0.000 31.293 ( 0.000 0.000 0.000) 0.000 32.149 ( 0.000 0.000 0.000) 0.000 32.149 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 7.001 0.000 -0.000) 7.001 3.410 ( 7.001 0.000 0.000) 7.001 3.710 ( -1.536 0.000 0.000) 1.536 3.710 ( -1.536 0.000 0.000) 1.536 4.506 ( 4.096 0.000 0.000) 4.096 4.506 ( 4.096 0.000 0.000) 4.096 4.586 ( 9.445 0.000 0.000) 9.445 4.586 ( 9.445 0.000 0.000) 9.445 5.043 ( -4.995 0.000 0.000) 4.995 5.043 ( -4.995 0.000 0.000) 4.995 5.738 ( -14.746 0.000 0.000) 14.746 5.738 ( -14.746 0.000 0.000) 14.746 5.962 ( -3.593 0.000 -0.000) 3.593 5.962 ( -3.593 0.000 0.000) 3.593 6.045 ( -3.308 0.000 -0.000) 3.308 6.045 ( -3.308 0.000 0.000) 3.308 6.205 ( -2.756 -0.000 0.000) 2.756 6.205 ( -2.756 0.000 0.000) 2.756 6.700 ( -13.386 0.000 0.000) 13.386 6.700 ( -13.386 0.000 0.000) 13.386 7.069 ( 17.919 0.000 0.000) 17.919 7.069 ( 17.919 0.000 0.000) 17.919 7.518 ( 4.618 -0.000 0.000) 4.618 7.518 ( 4.618 0.000 0.000) 4.618 9.368 ( 3.637 -0.000 0.000) 3.637 9.368 ( 3.637 0.000 0.000) 3.637 9.449 ( 3.596 -0.000 0.000) 3.596 9.449 ( 3.596 0.000 0.000) 3.596 10.234 ( 2.820 0.000 0.000) 2.820 10.234 ( 2.820 0.000 0.000) 2.820 10.393 ( -3.019 -0.000 0.000) 3.019 10.393 ( -3.019 0.000 0.000) 3.019 10.900 ( 1.046 -0.000 0.000) 1.046 10.900 ( 1.046 0.000 0.000) 1.046 11.188 ( -4.599 0.000 0.000) 4.599 11.188 ( -4.599 0.000 0.000) 4.599 11.391 ( 7.672 -0.000 0.000) 7.672 11.391 ( 7.672 0.000 0.000) 7.672 11.858 ( -10.856 0.000 0.000) 10.856 11.858 ( -10.856 0.000 0.000) 10.856 12.385 ( 1.770 -0.000 0.000) 1.770 12.385 ( 1.770 0.000 0.000) 1.770 12.593 ( 4.724 -0.000 0.000) 4.724 12.593 ( 4.724 0.000 0.000) 4.724 13.253 ( -4.686 0.000 0.000) 4.686 13.253 ( -4.686 -0.000 0.000) 4.686 13.455 ( -9.598 0.000 -0.000) 9.598 13.455 ( -9.598 0.000 0.000) 9.598 13.772 ( 7.962 0.000 0.000) 7.962 13.772 ( 7.962 0.000 0.000) 7.962 13.961 ( -0.361 0.000 0.000) 0.361 13.961 ( -0.361 0.000 0.000) 0.361 14.304 ( 0.080 0.000 0.000) 0.080 14.304 ( 0.080 0.000 0.000) 0.080 14.478 ( -7.517 -0.000 0.000) 7.517 14.478 ( -7.517 0.000 0.000) 7.517 14.689 ( 4.030 -0.000 0.000) 4.030 14.689 ( 4.030 0.000 0.000) 4.030 14.911 ( 6.073 0.000 0.000) 6.073 14.911 ( 6.073 0.000 0.000) 6.073 15.272 ( 2.727 0.000 0.000) 2.727 15.272 ( 2.727 0.000 0.000) 2.727 15.786 ( -10.497 0.000 0.000) 10.497 15.786 ( -10.497 0.000 0.000) 10.497 16.424 ( 9.593 0.000 0.000) 9.593 16.424 ( 9.593 0.000 0.000) 9.593 16.562 ( 2.629 0.000 0.000) 2.629 16.562 ( 2.629 0.000 0.000) 2.629 17.369 ( -2.108 0.000 -0.000) 2.108 17.369 ( -2.108 0.000 0.000) 2.108 17.428 ( -3.655 -0.000 -0.000) 3.655 17.428 ( -3.655 0.000 0.000) 3.655 18.080 ( 3.701 0.000 0.000) 3.701 18.080 ( 3.701 0.000 0.000) 3.701 18.350 ( -3.821 0.000 0.000) 3.821 18.350 ( -3.821 0.000 0.000) 3.821 18.655 ( 6.077 0.000 0.000) 6.077 18.655 ( 6.077 0.000 0.000) 6.077 19.114 ( -5.569 0.000 0.000) 5.569 19.114 ( -5.569 0.000 0.000) 5.569 27.659 ( 0.806 0.000 0.000) 0.806 27.659 ( 0.806 0.000 0.000) 0.806 27.724 ( -0.753 0.000 0.000) 0.753 27.724 ( -0.753 0.000 0.000) 0.753 29.908 ( 3.469 0.000 0.000) 3.469 29.908 ( 3.469 0.000 0.000) 3.469 30.143 ( -0.052 0.000 0.000) 0.052 30.143 ( -0.052 0.000 0.000) 0.052 30.757 ( -2.981 0.000 0.000) 2.981 30.757 ( -2.981 0.000 0.000) 2.981 31.015 ( -4.941 0.000 0.000) 4.941 31.015 ( -4.941 0.000 0.000) 4.941 31.424 ( 11.509 -0.000 0.000) 11.509 31.424 ( 11.509 0.000 0.000) 11.509 32.086 ( -6.439 0.000 0.000) 6.439 32.086 ( -6.439 0.000 0.000) 6.439 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 6.968 0.000 0.000) 6.968 3.553 ( 6.968 0.000 0.000) 6.968 3.659 ( -3.990 -0.000 0.000) 3.990 3.659 ( -3.990 0.000 0.000) 3.990 4.629 ( 8.520 -0.000 0.000) 8.520 4.629 ( 8.520 0.000 0.000) 8.520 4.772 ( 0.086 0.000 0.000) 0.086 4.772 ( 0.086 0.000 0.000) 0.086 4.984 ( 9.173 0.000 0.000) 9.173 4.984 ( 9.173 0.000 0.000) 9.173 5.358 ( -22.815 -0.000 0.000) 22.815 5.358 ( -22.815 0.000 0.000) 22.815 5.927 ( 1.049 0.000 0.000) 1.049 5.927 ( 1.049 0.000 0.000) 1.049 5.979 ( -3.507 -0.000 -0.000) 3.507 5.979 ( -3.507 0.000 0.000) 3.507 6.252 ( 6.724 -0.000 0.000) 6.724 6.252 ( 6.724 0.000 0.000) 6.724 6.441 ( -12.482 -0.000 0.000) 12.482 6.441 ( -12.482 0.000 0.000) 12.482 7.377 ( 12.852 0.000 0.000) 12.852 7.377 ( 12.852 0.000 0.000) 12.852 7.535 ( -3.559 -0.000 0.000) 3.559 7.535 ( -3.559 0.000 0.000) 3.559 9.452 ( 4.350 -0.000 0.000) 4.350 9.452 ( 4.350 0.000 0.000) 4.350 9.498 ( 0.305 -0.000 0.000) 0.305 9.498 ( 0.305 0.000 0.000) 0.305 10.298 ( 3.245 0.000 0.000) 3.245 10.298 ( 3.245 0.000 0.000) 3.245 10.344 ( -1.956 -0.000 0.000) 1.956 10.344 ( -1.956 -0.000 0.000) 1.956 10.946 ( 4.195 -0.000 0.000) 4.195 10.946 ( 4.195 0.000 0.000) 4.195 11.065 ( -7.493 -0.000 0.000) 7.493 11.065 ( -7.493 0.000 0.000) 7.493 11.530 ( 6.452 -0.000 0.000) 6.452 11.530 ( 6.452 0.000 0.000) 6.452 11.664 ( -8.444 0.000 0.000) 8.444 11.664 ( -8.444 0.000 0.000) 8.444 12.481 ( 8.087 0.000 0.000) 8.087 12.481 ( 8.087 0.000 0.000) 8.087 12.617 ( -3.517 -0.000 0.000) 3.517 12.617 ( -3.517 0.000 0.000) 3.517 13.195 ( -0.591 0.000 0.000) 0.591 13.195 ( -0.591 0.000 0.000) 0.591 13.262 ( -8.044 0.000 -0.000) 8.044 13.262 ( -8.044 0.000 0.000) 8.044 13.898 ( 4.499 -0.000 0.000) 4.499 13.898 ( 4.499 0.000 0.000) 4.499 13.948 ( -1.219 0.000 -0.000) 1.219 13.948 ( -1.219 0.000 0.000) 1.219 14.322 ( 1.945 0.000 0.000) 1.945 14.322 ( 1.945 0.000 0.000) 1.945 14.376 ( -3.692 0.000 0.000) 3.692 14.376 ( -3.692 0.000 0.000) 3.692 14.794 ( 6.515 0.000 0.000) 6.515 14.794 ( 6.515 0.000 0.000) 6.515 14.912 ( -4.720 0.000 0.000) 4.720 14.912 ( -4.720 0.000 0.000) 4.720 15.394 ( 9.012 0.000 0.000) 9.012 15.394 ( 9.012 0.000 0.000) 9.012 15.582 ( -10.435 0.000 0.000) 10.435 15.582 ( -10.435 0.000 0.000) 10.435 16.577 ( 5.238 0.000 0.000) 5.238 16.577 ( 5.238 0.000 0.000) 5.238 16.610 ( 1.338 -0.000 0.000) 1.338 16.610 ( 1.338 -0.000 0.000) 1.338 17.334 ( -0.783 0.000 -0.000) 0.783 17.334 ( -0.783 0.000 0.000) 0.783 17.356 ( -3.000 -0.000 -0.000) 3.000 17.356 ( -3.000 -0.000 0.000) 3.000 18.166 ( 4.994 -0.000 0.000) 4.994 18.166 ( 4.994 0.000 0.000) 4.994 18.263 ( -5.003 0.000 0.000) 5.003 18.263 ( -5.003 0.000 0.000) 5.003 18.801 ( 8.730 0.000 0.000) 8.730 18.801 ( 8.730 0.000 0.000) 8.730 18.972 ( -8.709 0.000 0.000) 8.709 18.972 ( -8.709 0.000 0.000) 8.709 27.679 ( 1.266 0.000 0.000) 1.266 27.679 ( 1.266 0.000 0.000) 1.266 27.704 ( -1.234 0.000 0.000) 1.234 27.704 ( -1.234 0.000 0.000) 1.234 29.998 ( 5.658 0.000 0.000) 5.658 29.998 ( 5.658 0.000 0.000) 5.658 30.102 ( -4.380 0.000 0.000) 4.380 30.102 ( -4.380 0.000 0.000) 4.380 30.767 ( 4.323 0.000 0.000) 4.323 30.767 ( 4.323 0.000 0.000) 4.323 30.891 ( -7.413 0.000 0.000) 7.413 30.891 ( -7.413 0.000 0.000) 7.413 31.671 ( 13.450 0.000 0.000) 13.450 31.671 ( 13.450 0.000 0.000) 13.450 31.913 ( -11.290 0.000 0.000) 11.290 31.913 ( -11.290 0.000 0.000) 11.290 =================== 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 3/38400 10.0 9911.217 4641.344 4036.554 0.000 0.000 -0.000 3/38400 20.0 2561.597 2777.528 2845.563 0.000 0.000 -0.000 3/38400 30.0 918.194 1119.665 1105.401 0.000 0.000 -0.000 3/38400 40.0 445.475 603.918 564.308 0.000 0.000 -0.000 3/38400 50.0 268.266 385.320 347.002 0.000 0.000 -0.000 3/38400 60.0 180.014 264.580 234.308 0.000 0.000 -0.000 3/38400 70.0 128.121 189.353 167.189 0.000 0.000 -0.000 3/38400 80.0 94.949 140.059 124.163 0.000 0.000 -0.000 3/38400 90.0 72.710 106.755 95.275 0.000 0.000 -0.000 3/38400 100.0 57.291 83.667 75.200 0.000 0.000 -0.000 3/38400 110.0 46.299 67.261 60.849 0.000 0.000 -0.000 3/38400 120.0 38.265 55.322 50.328 0.000 0.000 -0.000 3/38400 130.0 32.256 46.434 42.439 0.000 0.000 -0.000 3/38400 140.0 27.665 39.673 36.398 0.000 0.000 -0.000 3/38400 150.0 24.088 34.427 31.683 0.000 0.000 -0.000 3/38400 160.0 21.251 30.282 27.939 0.000 0.000 -0.000 3/38400 170.0 18.963 26.951 24.917 0.000 0.000 -0.000 3/38400 180.0 17.091 24.235 22.443 0.000 0.000 -0.000 3/38400 190.0 15.538 21.988 20.390 0.000 0.000 -0.000 3/38400 200.0 14.234 20.107 18.666 0.000 0.000 -0.000 3/38400 210.0 13.126 18.513 17.203 0.000 0.000 -0.000 3/38400 220.0 12.177 17.150 15.949 0.000 0.000 -0.000 3/38400 230.0 11.355 15.974 14.863 0.000 0.000 -0.000 3/38400 240.0 10.637 14.949 13.916 0.000 0.000 -0.000 3/38400 250.0 10.006 14.049 13.084 0.000 0.000 -0.000 3/38400 260.0 9.447 13.254 12.348 0.000 0.000 -0.000 3/38400 270.0 8.949 12.547 11.692 0.000 0.000 -0.000 3/38400 280.0 8.502 11.914 11.105 0.000 0.000 -0.000 3/38400 290.0 8.099 11.345 10.576 0.000 0.000 -0.000 3/38400 300.0 7.735 10.830 10.097 0.000 0.000 -0.000 3/38400 310.0 7.403 10.362 9.662 0.000 0.000 -0.000 3/38400 320.0 7.100 9.935 9.264 0.000 0.000 -0.000 3/38400 330.0 6.821 9.544 8.900 0.000 0.000 -0.000 3/38400 340.0 6.565 9.185 8.565 0.000 0.000 -0.000 3/38400 350.0 6.329 8.853 8.256 0.000 0.000 -0.000 3/38400 360.0 6.110 8.547 7.970 0.000 0.000 -0.000 3/38400 370.0 5.906 8.262 7.704 0.000 0.000 -0.000 3/38400 380.0 5.716 7.996 7.456 0.000 0.000 -0.000 3/38400 390.0 5.539 7.749 7.225 0.000 0.000 -0.000 3/38400 400.0 5.373 7.517 7.009 0.000 0.000 -0.000 3/38400 410.0 5.217 7.300 6.806 0.000 0.000 -0.000 3/38400 420.0 5.070 7.096 6.615 0.000 0.000 -0.000 3/38400 430.0 4.932 6.904 6.435 0.000 0.000 -0.000 3/38400 440.0 4.802 6.722 6.266 0.000 0.000 -0.000 3/38400 450.0 4.679 6.551 6.106 0.000 0.000 -0.000 3/38400 460.0 4.562 6.389 5.954 0.000 0.000 -0.000 3/38400 470.0 4.451 6.235 5.810 0.000 0.000 -0.000 3/38400 480.0 4.346 6.088 5.673 0.000 0.000 -0.000 3/38400 490.0 4.246 5.949 5.543 0.000 0.000 -0.000 3/38400 500.0 4.150 5.817 5.419 0.000 0.000 -0.000 3/38400 510.0 4.059 5.690 5.301 0.000 0.000 -0.000 3/38400 520.0 3.972 5.570 5.188 0.000 0.000 -0.000 3/38400 530.0 3.889 5.454 5.080 0.000 0.000 -0.000 3/38400 540.0 3.810 5.344 4.977 0.000 0.000 -0.000 3/38400 550.0 3.734 5.238 4.878 0.000 0.000 -0.000 3/38400 560.0 3.661 5.136 4.783 0.000 0.000 -0.000 3/38400 570.0 3.590 5.039 4.692 0.000 0.000 -0.000 3/38400 580.0 3.523 4.945 4.604 0.000 0.000 -0.000 3/38400 590.0 3.458 4.855 4.520 0.000 0.000 -0.000 3/38400 600.0 3.396 4.769 4.439 0.000 0.000 -0.000 3/38400 610.0 3.336 4.685 4.361 0.000 0.000 -0.000 3/38400 620.0 3.278 4.605 4.286 0.000 0.000 -0.000 3/38400 630.0 3.222 4.527 4.213 0.000 0.000 -0.000 3/38400 640.0 3.168 4.452 4.143 0.000 0.000 -0.000 3/38400 650.0 3.116 4.380 4.075 0.000 0.000 -0.000 3/38400 660.0 3.066 4.310 4.010 0.000 0.000 -0.000 3/38400 670.0 3.017 4.242 3.947 0.000 0.000 -0.000 3/38400 680.0 2.970 4.176 3.885 0.000 0.000 -0.000 3/38400 690.0 2.924 4.113 3.826 0.000 0.000 -0.000 3/38400 700.0 2.880 4.051 3.769 0.000 0.000 -0.000 3/38400 710.0 2.837 3.992 3.713 0.000 0.000 -0.000 3/38400 720.0 2.796 3.934 3.659 0.000 0.000 -0.000 3/38400 730.0 2.755 3.878 3.606 0.000 0.000 -0.000 3/38400 740.0 2.716 3.823 3.556 0.000 0.000 -0.000 3/38400 750.0 2.678 3.770 3.506 0.000 0.000 -0.000 3/38400 760.0 2.641 3.719 3.458 0.000 0.000 -0.000 3/38400 770.0 2.605 3.669 3.411 0.000 0.000 -0.000 3/38400 780.0 2.570 3.620 3.366 0.000 0.000 -0.000 3/38400 790.0 2.536 3.573 3.322 0.000 0.000 -0.000 3/38400 800.0 2.503 3.527 3.279 0.000 0.000 -0.000 3/38400 810.0 2.471 3.482 3.237 0.000 0.000 -0.000 3/38400 820.0 2.440 3.438 3.196 0.000 0.000 -0.000 3/38400 830.0 2.409 3.395 3.156 0.000 0.000 -0.000 3/38400 840.0 2.380 3.354 3.117 0.000 0.000 -0.000 3/38400 850.0 2.351 3.313 3.080 0.000 0.000 -0.000 3/38400 860.0 2.322 3.274 3.043 0.000 0.000 -0.000 3/38400 870.0 2.295 3.235 3.007 0.000 0.000 -0.000 3/38400 880.0 2.268 3.197 2.972 0.000 0.000 -0.000 3/38400 890.0 2.241 3.161 2.937 0.000 0.000 -0.000 3/38400 900.0 2.216 3.125 2.904 0.000 0.000 -0.000 3/38400 910.0 2.190 3.090 2.871 0.000 0.000 -0.000 3/38400 920.0 2.166 3.055 2.839 0.000 0.000 -0.000 3/38400 930.0 2.142 3.022 2.808 0.000 0.000 -0.000 3/38400 940.0 2.118 2.989 2.777 0.000 0.000 -0.000 3/38400 950.0 2.096 2.957 2.747 0.000 0.000 -0.000 3/38400 960.0 2.073 2.925 2.718 0.000 0.000 -0.000 3/38400 970.0 2.051 2.895 2.689 0.000 0.000 -0.000 3/38400 980.0 2.030 2.865 2.661 0.000 0.000 -0.000 3/38400 990.0 2.009 2.835 2.634 0.000 0.000 -0.000 3/38400 1000.0 1.988 2.806 2.607 0.000 0.000 -0.000 3/38400 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:27:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|