----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 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 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383313280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.655865249999998 Atomic positions (fractional): *1 F 0.83146235744274 0.75000000000000 0.86408423597178 18.998 2 F 0.16853764255726 0.25000000000000 0.13591576402822 18.998 3 F 0.33146235744274 0.75000000000000 0.63591576402822 18.998 4 F 0.66853764255726 0.25000000000000 0.36408423597179 18.998 *5 F 0.80433926076220 0.25000000000000 0.83456375649236 18.998 6 F 0.19566073923780 0.75000000000000 0.16543624350764 18.998 7 F 0.30433926076220 0.25000000000000 0.66543624350764 18.998 8 F 0.69566073923780 0.75000000000000 0.33456375649236 18.998 *9 F 0.57933181754884 0.96645461708507 0.64661236438411 18.998 10 F 0.42066818245116 0.46645461708507 0.35338763561589 18.998 11 F 0.07933181754884 0.96645461708507 0.85338763561589 18.998 12 F 0.92066818245116 0.46645461708507 0.14661236438411 18.998 *13 F 0.98876877827298 0.75000000000000 0.40115364173764 18.998 14 F 0.01123122172702 0.25000000000000 0.59884635826236 18.998 15 F 0.48876877827298 0.75000000000000 0.09884635826236 18.998 16 F 0.51123122172702 0.25000000000000 0.90115364173764 18.998 17 F 0.92066818245116 0.03354538291493 0.14661236438411 18.998 18 F 0.07933181754884 0.53354538291493 0.85338763561589 18.998 19 F 0.42066818245116 0.03354538291493 0.35338763561589 18.998 20 F 0.57933181754884 0.53354538291493 0.64661236438411 18.998 *21 K 0.82828630011151 0.99715569373186 0.53205271279831 39.098 22 K 0.17171369988849 0.49715569373186 0.46794728720169 39.098 23 K 0.32828630011151 0.99715569373186 0.96794728720169 39.098 24 K 0.67171369988849 0.49715569373186 0.03205271279831 39.098 25 K 0.82828630011151 0.50284430626814 0.53205271279831 39.098 26 K 0.17171369988849 0.00284430626814 0.46794728720169 39.098 27 K 0.32828630011151 0.50284430626814 0.96794728720169 39.098 28 K 0.67171369988849 0.00284430626814 0.03205271279831 39.098 *29 Sm 0.50304195129721 0.25000000000000 0.56577575166531 150.360 30 Sm 0.49695804870279 0.75000000000000 0.43422424833469 150.360 31 Sm 0.00304195129721 0.25000000000000 0.93422424833469 150.360 32 Sm 0.99695804870279 0.75000000000000 0.06577575166531 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383313280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.655865249999998 Atomic positions (fractional): *1 F 0.83146235744274 0.75000000000000 0.86408423597178 18.998 > 1 2 F 0.16853764255726 0.25000000000000 0.13591576402822 18.998 > 2 3 F 0.33146235744274 0.75000000000000 0.63591576402822 18.998 > 3 4 F 0.66853764255726 0.25000000000000 0.36408423597179 18.998 > 4 *5 F 0.80433926076220 0.25000000000000 0.83456375649236 18.998 > 5 6 F 0.19566073923780 0.75000000000000 0.16543624350764 18.998 > 6 7 F 0.30433926076220 0.25000000000000 0.66543624350764 18.998 > 7 8 F 0.69566073923780 0.75000000000000 0.33456375649236 18.998 > 8 *9 F 0.57933181754884 0.96645461708507 0.64661236438411 18.998 > 9 10 F 0.42066818245116 0.46645461708507 0.35338763561589 18.998 > 10 11 F 0.07933181754884 0.96645461708507 0.85338763561589 18.998 > 11 12 F 0.92066818245116 0.46645461708507 0.14661236438411 18.998 > 12 *13 F 0.98876877827298 0.75000000000000 0.40115364173764 18.998 > 13 14 F 0.01123122172702 0.25000000000000 0.59884635826236 18.998 > 14 15 F 0.48876877827298 0.75000000000000 0.09884635826236 18.998 > 15 16 F 0.51123122172702 0.25000000000000 0.90115364173764 18.998 > 16 17 F 0.92066818245116 0.03354538291493 0.14661236438411 18.998 > 17 18 F 0.07933181754884 0.53354538291493 0.85338763561589 18.998 > 18 19 F 0.42066818245116 0.03354538291493 0.35338763561589 18.998 > 19 20 F 0.57933181754884 0.53354538291493 0.64661236438411 18.998 > 20 *21 K 0.82828630011151 0.99715569373186 0.53205271279831 39.098 > 21 22 K 0.17171369988849 0.49715569373186 0.46794728720169 39.098 > 22 23 K 0.32828630011151 0.99715569373186 0.96794728720169 39.098 > 23 24 K 0.67171369988849 0.49715569373186 0.03205271279831 39.098 > 24 25 K 0.82828630011151 0.50284430626814 0.53205271279831 39.098 > 25 26 K 0.17171369988849 0.00284430626814 0.46794728720169 39.098 > 26 27 K 0.32828630011151 0.50284430626814 0.96794728720169 39.098 > 27 28 K 0.67171369988849 0.00284430626814 0.03205271279831 39.098 > 28 *29 Sm 0.50304195129721 0.25000000000000 0.56577575166531 150.360 > 29 30 Sm 0.49695804870279 0.75000000000000 0.43422424833469 150.360 > 30 31 Sm 0.00304195129721 0.25000000000000 0.93422424833469 150.360 > 31 32 Sm 0.99695804870279 0.75000000000000 0.06577575166531 150.360 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.766626560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.311730499999996 Atomic positions (fractional): *1 F 0.83146235744274 0.37500000000000 0.43204211798589 18.998 > 1 2 F 0.83146235744274 0.87500000000000 0.43204211798589 18.998 > 1 3 F 0.83146235744274 0.37500000000000 0.93204211798589 18.998 > 1 4 F 0.83146235744274 0.87500000000000 0.93204211798589 18.998 > 1 5 F 0.16853764255726 0.12500000000000 0.06795788201411 18.998 > 2 6 F 0.16853764255726 0.62500000000000 0.06795788201411 18.998 > 2 7 F 0.16853764255726 0.12500000000000 0.56795788201411 18.998 > 2 8 F 0.16853764255726 0.62500000000000 0.56795788201411 18.998 > 2 9 F 0.33146235744274 0.37500000000000 0.31795788201411 18.998 > 3 10 F 0.33146235744274 0.87500000000000 0.31795788201411 18.998 > 3 11 F 0.33146235744274 0.37500000000000 0.81795788201411 18.998 > 3 12 F 0.33146235744274 0.87500000000000 0.81795788201411 18.998 > 3 13 F 0.66853764255726 0.12500000000000 0.18204211798589 18.998 > 4 14 F 0.66853764255726 0.62500000000000 0.18204211798589 18.998 > 4 15 F 0.66853764255726 0.12500000000000 0.68204211798589 18.998 > 4 16 F 0.66853764255726 0.62500000000000 0.68204211798589 18.998 > 4 *17 F 0.80433926076220 0.12500000000000 0.41728187824618 18.998 > 5 18 F 0.80433926076220 0.62500000000000 0.41728187824618 18.998 > 5 19 F 0.80433926076220 0.12500000000000 0.91728187824618 18.998 > 5 20 F 0.80433926076220 0.62500000000000 0.91728187824618 18.998 > 5 21 F 0.19566073923780 0.37500000000000 0.08271812175382 18.998 > 6 22 F 0.19566073923780 0.87500000000000 0.08271812175382 18.998 > 6 23 F 0.19566073923780 0.37500000000000 0.58271812175382 18.998 > 6 24 F 0.19566073923780 0.87500000000000 0.58271812175382 18.998 > 6 25 F 0.30433926076220 0.12500000000000 0.33271812175382 18.998 > 7 26 F 0.30433926076220 0.62500000000000 0.33271812175382 18.998 > 7 27 F 0.30433926076220 0.12500000000000 0.83271812175382 18.998 > 7 28 F 0.30433926076220 0.62500000000000 0.83271812175382 18.998 > 7 29 F 0.69566073923780 0.37500000000000 0.16728187824618 18.998 > 8 30 F 0.69566073923780 0.87500000000000 0.16728187824618 18.998 > 8 31 F 0.69566073923780 0.37500000000000 0.66728187824618 18.998 > 8 32 F 0.69566073923780 0.87500000000000 0.66728187824618 18.998 > 8 *33 F 0.57933181754884 0.48322730854253 0.32330618219206 18.998 > 9 34 F 0.57933181754884 0.98322730854253 0.32330618219206 18.998 > 9 35 F 0.57933181754884 0.48322730854253 0.82330618219206 18.998 > 9 36 F 0.57933181754884 0.98322730854253 0.82330618219206 18.998 > 9 37 F 0.42066818245116 0.23322730854253 0.17669381780794 18.998 > 10 38 F 0.42066818245116 0.73322730854253 0.17669381780794 18.998 > 10 39 F 0.42066818245116 0.23322730854253 0.67669381780794 18.998 > 10 40 F 0.42066818245116 0.73322730854253 0.67669381780794 18.998 > 10 41 F 0.07933181754884 0.48322730854253 0.42669381780794 18.998 > 11 42 F 0.07933181754884 0.98322730854253 0.42669381780794 18.998 > 11 43 F 0.07933181754884 0.48322730854253 0.92669381780794 18.998 > 11 44 F 0.07933181754884 0.98322730854253 0.92669381780794 18.998 > 11 45 F 0.92066818245116 0.23322730854253 0.07330618219206 18.998 > 12 46 F 0.92066818245116 0.73322730854253 0.07330618219206 18.998 > 12 47 F 0.92066818245116 0.23322730854253 0.57330618219206 18.998 > 12 48 F 0.92066818245116 0.73322730854253 0.57330618219206 18.998 > 12 *49 F 0.98876877827298 0.37500000000000 0.20057682086882 18.998 > 13 50 F 0.98876877827298 0.87500000000000 0.20057682086882 18.998 > 13 51 F 0.98876877827298 0.37500000000000 0.70057682086882 18.998 > 13 52 F 0.98876877827298 0.87500000000000 0.70057682086882 18.998 > 13 53 F 0.01123122172702 0.12500000000000 0.29942317913118 18.998 > 14 54 F 0.01123122172702 0.62500000000000 0.29942317913118 18.998 > 14 55 F 0.01123122172702 0.12500000000000 0.79942317913118 18.998 > 14 56 F 0.01123122172702 0.62500000000000 0.79942317913118 18.998 > 14 57 F 0.48876877827298 0.37500000000000 0.04942317913118 18.998 > 15 58 F 0.48876877827298 0.87500000000000 0.04942317913118 18.998 > 15 59 F 0.48876877827298 0.37500000000000 0.54942317913118 18.998 > 15 60 F 0.48876877827298 0.87500000000000 0.54942317913118 18.998 > 15 61 F 0.51123122172702 0.12500000000000 0.45057682086882 18.998 > 16 62 F 0.51123122172702 0.62500000000000 0.45057682086882 18.998 > 16 63 F 0.51123122172702 0.12500000000000 0.95057682086882 18.998 > 16 64 F 0.51123122172702 0.62500000000000 0.95057682086882 18.998 > 16 65 F 0.92066818245116 0.01677269145747 0.07330618219206 18.998 > 17 66 F 0.92066818245116 0.51677269145747 0.07330618219206 18.998 > 17 67 F 0.92066818245116 0.01677269145747 0.57330618219206 18.998 > 17 68 F 0.92066818245116 0.51677269145747 0.57330618219206 18.998 > 17 69 F 0.07933181754884 0.26677269145747 0.42669381780794 18.998 > 18 70 F 0.07933181754884 0.76677269145747 0.42669381780794 18.998 > 18 71 F 0.07933181754884 0.26677269145747 0.92669381780794 18.998 > 18 72 F 0.07933181754884 0.76677269145747 0.92669381780794 18.998 > 18 73 F 0.42066818245116 0.01677269145747 0.17669381780794 18.998 > 19 74 F 0.42066818245116 0.51677269145747 0.17669381780794 18.998 > 19 75 F 0.42066818245116 0.01677269145747 0.67669381780794 18.998 > 19 76 F 0.42066818245116 0.51677269145747 0.67669381780794 18.998 > 19 77 F 0.57933181754884 0.26677269145747 0.32330618219206 18.998 > 20 78 F 0.57933181754884 0.76677269145747 0.32330618219206 18.998 > 20 79 F 0.57933181754884 0.26677269145747 0.82330618219206 18.998 > 20 80 F 0.57933181754884 0.76677269145747 0.82330618219206 18.998 > 20 *81 K 0.82828630011151 0.49857784686593 0.26602635639916 39.098 > 21 82 K 0.82828630011151 0.99857784686593 0.26602635639916 39.098 > 21 83 K 0.82828630011151 0.49857784686593 0.76602635639916 39.098 > 21 84 K 0.82828630011151 0.99857784686593 0.76602635639916 39.098 > 21 85 K 0.17171369988849 0.24857784686593 0.23397364360084 39.098 > 22 86 K 0.17171369988849 0.74857784686593 0.23397364360084 39.098 > 22 87 K 0.17171369988849 0.24857784686593 0.73397364360084 39.098 > 22 88 K 0.17171369988849 0.74857784686593 0.73397364360084 39.098 > 22 89 K 0.32828630011151 0.49857784686593 0.48397364360084 39.098 > 23 90 K 0.32828630011151 0.99857784686593 0.48397364360084 39.098 > 23 91 K 0.32828630011151 0.49857784686593 0.98397364360084 39.098 > 23 92 K 0.32828630011151 0.99857784686593 0.98397364360084 39.098 > 23 93 K 0.67171369988849 0.24857784686593 0.01602635639916 39.098 > 24 94 K 0.67171369988849 0.74857784686593 0.01602635639916 39.098 > 24 95 K 0.67171369988849 0.24857784686593 0.51602635639916 39.098 > 24 96 K 0.67171369988849 0.74857784686593 0.51602635639916 39.098 > 24 97 K 0.82828630011151 0.25142215313407 0.26602635639916 39.098 > 25 98 K 0.82828630011151 0.75142215313407 0.26602635639916 39.098 > 25 99 K 0.82828630011151 0.25142215313407 0.76602635639916 39.098 > 25 100 K 0.82828630011151 0.75142215313407 0.76602635639916 39.098 > 25 101 K 0.17171369988849 0.00142215313407 0.23397364360084 39.098 > 26 102 K 0.17171369988849 0.50142215313407 0.23397364360084 39.098 > 26 103 K 0.17171369988849 0.00142215313407 0.73397364360084 39.098 > 26 104 K 0.17171369988849 0.50142215313407 0.73397364360084 39.098 > 26 105 K 0.32828630011151 0.25142215313407 0.48397364360084 39.098 > 27 106 K 0.32828630011151 0.75142215313407 0.48397364360084 39.098 > 27 107 K 0.32828630011151 0.25142215313407 0.98397364360084 39.098 > 27 108 K 0.32828630011151 0.75142215313407 0.98397364360084 39.098 > 27 109 K 0.67171369988849 0.00142215313407 0.01602635639916 39.098 > 28 110 K 0.67171369988849 0.50142215313407 0.01602635639916 39.098 > 28 111 K 0.67171369988849 0.00142215313407 0.51602635639916 39.098 > 28 112 K 0.67171369988849 0.50142215313407 0.51602635639916 39.098 > 28 *113 Sm 0.50304195129721 0.12500000000000 0.28288787583265 150.360 > 29 114 Sm 0.50304195129721 0.62500000000000 0.28288787583265 150.360 > 29 115 Sm 0.50304195129721 0.12500000000000 0.78288787583265 150.360 > 29 116 Sm 0.50304195129721 0.62500000000000 0.78288787583265 150.360 > 29 117 Sm 0.49695804870279 0.37500000000000 0.21711212416735 150.360 > 30 118 Sm 0.49695804870279 0.87500000000000 0.21711212416735 150.360 > 30 119 Sm 0.49695804870279 0.37500000000000 0.71711212416735 150.360 > 30 120 Sm 0.49695804870279 0.87500000000000 0.71711212416735 150.360 > 30 121 Sm 0.00304195129721 0.12500000000000 0.46711212416735 150.360 > 31 122 Sm 0.00304195129721 0.62500000000000 0.46711212416735 150.360 > 31 123 Sm 0.00304195129721 0.12500000000000 0.96711212416735 150.360 > 31 124 Sm 0.00304195129721 0.62500000000000 0.96711212416735 150.360 > 31 125 Sm 0.99695804870279 0.37500000000000 0.03288787583265 150.360 > 32 126 Sm 0.99695804870279 0.87500000000000 0.03288787583265 150.360 > 32 127 Sm 0.99695804870279 0.37500000000000 0.53288787583265 150.360 > 32 128 Sm 0.99695804870279 0.87500000000000 0.53288787583265 150.360 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1962858 0.0000000 0.0000000 0.0000000 2.2433831 0.0000000 0.0000000 0.0000000 2.1870715 -------------------------- Born effective charges -------------------------- 1 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 2 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 3 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 4 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 5 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 6 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 7 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 8 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 9 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 10 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 11 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 12 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 13 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 14 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 15 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 16 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 17 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 18 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 19 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 20 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 21 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 22 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 23 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 24 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 25 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 26 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 27 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 28 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 29 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 30 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 31 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 32 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 ---------------------------------------------------------------------------- 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) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 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, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.809 Solver_block: 200 / 480 - Time: 0.736 Solver_block: 300 / 480 - Time: 0.745 Solver_block: 400 / 480 - Time: 0.733 Solver_block: 480 / 480 - Time: 0.619 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.733 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 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, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), 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 2026-01-08 03:18:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:18:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383313280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.655865249999998 Atomic positions (fractional): 1 F 0.83146235744274 0.75000000000000 0.86408423597178 18.998 2 F 0.16853764255726 0.25000000000000 0.13591576402822 18.998 3 F 0.33146235744274 0.75000000000000 0.63591576402822 18.998 4 F 0.66853764255726 0.25000000000000 0.36408423597179 18.998 5 F 0.80433926076220 0.25000000000000 0.83456375649236 18.998 6 F 0.19566073923780 0.75000000000000 0.16543624350764 18.998 7 F 0.30433926076220 0.25000000000000 0.66543624350764 18.998 8 F 0.69566073923780 0.75000000000000 0.33456375649236 18.998 9 F 0.57933181754884 0.96645461708507 0.64661236438411 18.998 10 F 0.42066818245116 0.46645461708507 0.35338763561589 18.998 11 F 0.07933181754884 0.96645461708507 0.85338763561589 18.998 12 F 0.92066818245116 0.46645461708507 0.14661236438411 18.998 13 F 0.98876877827298 0.75000000000000 0.40115364173764 18.998 14 F 0.01123122172702 0.25000000000000 0.59884635826236 18.998 15 F 0.48876877827298 0.75000000000000 0.09884635826236 18.998 16 F 0.51123122172702 0.25000000000000 0.90115364173764 18.998 17 F 0.92066818245116 0.03354538291493 0.14661236438411 18.998 18 F 0.07933181754884 0.53354538291493 0.85338763561589 18.998 19 F 0.42066818245116 0.03354538291493 0.35338763561589 18.998 20 F 0.57933181754884 0.53354538291493 0.64661236438411 18.998 21 K 0.82828630011151 0.99715569373186 0.53205271279831 39.098 22 K 0.17171369988849 0.49715569373186 0.46794728720169 39.098 23 K 0.32828630011151 0.99715569373186 0.96794728720169 39.098 24 K 0.67171369988849 0.49715569373186 0.03205271279831 39.098 25 K 0.82828630011151 0.50284430626814 0.53205271279831 39.098 26 K 0.17171369988849 0.00284430626814 0.46794728720169 39.098 27 K 0.32828630011151 0.50284430626814 0.96794728720169 39.098 28 K 0.67171369988849 0.00284430626814 0.03205271279831 39.098 29 Sm 0.50304195129721 0.25000000000000 0.56577575166531 150.360 30 Sm 0.49695804870279 0.75000000000000 0.43422424833469 150.360 31 Sm 0.00304195129721 0.25000000000000 0.93422424833469 150.360 32 Sm 0.99695804870279 0.75000000000000 0.06577575166531 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.766626560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.311730499999996 Atomic positions (fractional): 1 F 0.83146235744274 0.37500000000000 0.43204211798589 18.998 > 1 2 F 0.83146235744274 0.87500000000000 0.43204211798589 18.998 > 1 3 F 0.83146235744274 0.37500000000000 0.93204211798589 18.998 > 1 4 F 0.83146235744274 0.87500000000000 0.93204211798589 18.998 > 1 5 F 0.16853764255726 0.12500000000000 0.06795788201411 18.998 > 5 6 F 0.16853764255726 0.62500000000000 0.06795788201411 18.998 > 5 7 F 0.16853764255726 0.12500000000000 0.56795788201411 18.998 > 5 8 F 0.16853764255726 0.62500000000000 0.56795788201411 18.998 > 5 9 F 0.33146235744274 0.37500000000000 0.31795788201411 18.998 > 9 10 F 0.33146235744274 0.87500000000000 0.31795788201411 18.998 > 9 11 F 0.33146235744274 0.37500000000000 0.81795788201411 18.998 > 9 12 F 0.33146235744274 0.87500000000000 0.81795788201411 18.998 > 9 13 F 0.66853764255726 0.12500000000000 0.18204211798589 18.998 > 13 14 F 0.66853764255726 0.62500000000000 0.18204211798589 18.998 > 13 15 F 0.66853764255726 0.12500000000000 0.68204211798589 18.998 > 13 16 F 0.66853764255726 0.62500000000000 0.68204211798589 18.998 > 13 17 F 0.80433926076220 0.12500000000000 0.41728187824618 18.998 > 17 18 F 0.80433926076220 0.62500000000000 0.41728187824618 18.998 > 17 19 F 0.80433926076220 0.12500000000000 0.91728187824618 18.998 > 17 20 F 0.80433926076220 0.62500000000000 0.91728187824618 18.998 > 17 21 F 0.19566073923780 0.37500000000000 0.08271812175382 18.998 > 21 22 F 0.19566073923780 0.87500000000000 0.08271812175382 18.998 > 21 23 F 0.19566073923780 0.37500000000000 0.58271812175382 18.998 > 21 24 F 0.19566073923780 0.87500000000000 0.58271812175382 18.998 > 21 25 F 0.30433926076220 0.12500000000000 0.33271812175382 18.998 > 25 26 F 0.30433926076220 0.62500000000000 0.33271812175382 18.998 > 25 27 F 0.30433926076220 0.12500000000000 0.83271812175382 18.998 > 25 28 F 0.30433926076220 0.62500000000000 0.83271812175382 18.998 > 25 29 F 0.69566073923780 0.37500000000000 0.16728187824618 18.998 > 29 30 F 0.69566073923780 0.87500000000000 0.16728187824618 18.998 > 29 31 F 0.69566073923780 0.37500000000000 0.66728187824618 18.998 > 29 32 F 0.69566073923780 0.87500000000000 0.66728187824618 18.998 > 29 33 F 0.57933181754884 0.48322730854253 0.32330618219206 18.998 > 33 34 F 0.57933181754884 0.98322730854253 0.32330618219206 18.998 > 33 35 F 0.57933181754884 0.48322730854253 0.82330618219206 18.998 > 33 36 F 0.57933181754884 0.98322730854253 0.82330618219206 18.998 > 33 37 F 0.42066818245116 0.23322730854253 0.17669381780794 18.998 > 37 38 F 0.42066818245116 0.73322730854253 0.17669381780794 18.998 > 37 39 F 0.42066818245116 0.23322730854253 0.67669381780794 18.998 > 37 40 F 0.42066818245116 0.73322730854253 0.67669381780794 18.998 > 37 41 F 0.07933181754884 0.48322730854253 0.42669381780794 18.998 > 41 42 F 0.07933181754884 0.98322730854253 0.42669381780794 18.998 > 41 43 F 0.07933181754884 0.48322730854253 0.92669381780794 18.998 > 41 44 F 0.07933181754884 0.98322730854253 0.92669381780794 18.998 > 41 45 F 0.92066818245116 0.23322730854253 0.07330618219206 18.998 > 45 46 F 0.92066818245116 0.73322730854253 0.07330618219206 18.998 > 45 47 F 0.92066818245116 0.23322730854253 0.57330618219206 18.998 > 45 48 F 0.92066818245116 0.73322730854253 0.57330618219206 18.998 > 45 49 F 0.98876877827298 0.37500000000000 0.20057682086882 18.998 > 49 50 F 0.98876877827298 0.87500000000000 0.20057682086882 18.998 > 49 51 F 0.98876877827298 0.37500000000000 0.70057682086882 18.998 > 49 52 F 0.98876877827298 0.87500000000000 0.70057682086882 18.998 > 49 53 F 0.01123122172702 0.12500000000000 0.29942317913118 18.998 > 53 54 F 0.01123122172702 0.62500000000000 0.29942317913118 18.998 > 53 55 F 0.01123122172702 0.12500000000000 0.79942317913118 18.998 > 53 56 F 0.01123122172702 0.62500000000000 0.79942317913118 18.998 > 53 57 F 0.48876877827298 0.37500000000000 0.04942317913118 18.998 > 57 58 F 0.48876877827298 0.87500000000000 0.04942317913118 18.998 > 57 59 F 0.48876877827298 0.37500000000000 0.54942317913118 18.998 > 57 60 F 0.48876877827298 0.87500000000000 0.54942317913118 18.998 > 57 61 F 0.51123122172702 0.12500000000000 0.45057682086882 18.998 > 61 62 F 0.51123122172702 0.62500000000000 0.45057682086882 18.998 > 61 63 F 0.51123122172702 0.12500000000000 0.95057682086882 18.998 > 61 64 F 0.51123122172702 0.62500000000000 0.95057682086882 18.998 > 61 65 F 0.92066818245116 0.01677269145747 0.07330618219206 18.998 > 65 66 F 0.92066818245116 0.51677269145747 0.07330618219206 18.998 > 65 67 F 0.92066818245116 0.01677269145747 0.57330618219206 18.998 > 65 68 F 0.92066818245116 0.51677269145747 0.57330618219206 18.998 > 65 69 F 0.07933181754884 0.26677269145747 0.42669381780794 18.998 > 69 70 F 0.07933181754884 0.76677269145747 0.42669381780794 18.998 > 69 71 F 0.07933181754884 0.26677269145747 0.92669381780794 18.998 > 69 72 F 0.07933181754884 0.76677269145747 0.92669381780794 18.998 > 69 73 F 0.42066818245116 0.01677269145747 0.17669381780794 18.998 > 73 74 F 0.42066818245116 0.51677269145747 0.17669381780794 18.998 > 73 75 F 0.42066818245116 0.01677269145747 0.67669381780794 18.998 > 73 76 F 0.42066818245116 0.51677269145747 0.67669381780794 18.998 > 73 77 F 0.57933181754884 0.26677269145747 0.32330618219206 18.998 > 77 78 F 0.57933181754884 0.76677269145747 0.32330618219206 18.998 > 77 79 F 0.57933181754884 0.26677269145747 0.82330618219206 18.998 > 77 80 F 0.57933181754884 0.76677269145747 0.82330618219206 18.998 > 77 81 K 0.82828630011151 0.49857784686593 0.26602635639916 39.098 > 81 82 K 0.82828630011151 0.99857784686593 0.26602635639916 39.098 > 81 83 K 0.82828630011151 0.49857784686593 0.76602635639916 39.098 > 81 84 K 0.82828630011151 0.99857784686593 0.76602635639916 39.098 > 81 85 K 0.17171369988849 0.24857784686593 0.23397364360084 39.098 > 85 86 K 0.17171369988849 0.74857784686593 0.23397364360084 39.098 > 85 87 K 0.17171369988849 0.24857784686593 0.73397364360084 39.098 > 85 88 K 0.17171369988849 0.74857784686593 0.73397364360084 39.098 > 85 89 K 0.32828630011151 0.49857784686593 0.48397364360084 39.098 > 89 90 K 0.32828630011151 0.99857784686593 0.48397364360084 39.098 > 89 91 K 0.32828630011151 0.49857784686593 0.98397364360084 39.098 > 89 92 K 0.32828630011151 0.99857784686593 0.98397364360084 39.098 > 89 93 K 0.67171369988849 0.24857784686593 0.01602635639916 39.098 > 93 94 K 0.67171369988849 0.74857784686593 0.01602635639916 39.098 > 93 95 K 0.67171369988849 0.24857784686593 0.51602635639916 39.098 > 93 96 K 0.67171369988849 0.74857784686593 0.51602635639916 39.098 > 93 97 K 0.82828630011151 0.25142215313407 0.26602635639916 39.098 > 97 98 K 0.82828630011151 0.75142215313407 0.26602635639916 39.098 > 97 99 K 0.82828630011151 0.25142215313407 0.76602635639916 39.098 > 97 100 K 0.82828630011151 0.75142215313407 0.76602635639916 39.098 > 97 101 K 0.17171369988849 0.00142215313407 0.23397364360084 39.098 > 101 102 K 0.17171369988849 0.50142215313407 0.23397364360084 39.098 > 101 103 K 0.17171369988849 0.00142215313407 0.73397364360084 39.098 > 101 104 K 0.17171369988849 0.50142215313407 0.73397364360084 39.098 > 101 105 K 0.32828630011151 0.25142215313407 0.48397364360084 39.098 > 105 106 K 0.32828630011151 0.75142215313407 0.48397364360084 39.098 > 105 107 K 0.32828630011151 0.25142215313407 0.98397364360084 39.098 > 105 108 K 0.32828630011151 0.75142215313407 0.98397364360084 39.098 > 105 109 K 0.67171369988849 0.00142215313407 0.01602635639916 39.098 > 109 110 K 0.67171369988849 0.50142215313407 0.01602635639916 39.098 > 109 111 K 0.67171369988849 0.00142215313407 0.51602635639916 39.098 > 109 112 K 0.67171369988849 0.50142215313407 0.51602635639916 39.098 > 109 113 Sm 0.50304195129721 0.12500000000000 0.28288787583265 150.360 > 113 114 Sm 0.50304195129721 0.62500000000000 0.28288787583265 150.360 > 113 115 Sm 0.50304195129721 0.12500000000000 0.78288787583265 150.360 > 113 116 Sm 0.50304195129721 0.62500000000000 0.78288787583265 150.360 > 113 117 Sm 0.49695804870279 0.37500000000000 0.21711212416735 150.360 > 117 118 Sm 0.49695804870279 0.87500000000000 0.21711212416735 150.360 > 117 119 Sm 0.49695804870279 0.37500000000000 0.71711212416735 150.360 > 117 120 Sm 0.49695804870279 0.87500000000000 0.71711212416735 150.360 > 117 121 Sm 0.00304195129721 0.12500000000000 0.46711212416735 150.360 > 121 122 Sm 0.00304195129721 0.62500000000000 0.46711212416735 150.360 > 121 123 Sm 0.00304195129721 0.12500000000000 0.96711212416735 150.360 > 121 124 Sm 0.00304195129721 0.62500000000000 0.96711212416735 150.360 > 121 125 Sm 0.99695804870279 0.37500000000000 0.03288787583265 150.360 > 125 126 Sm 0.99695804870279 0.87500000000000 0.03288787583265 150.360 > 125 127 Sm 0.99695804870279 0.37500000000000 0.53288787583265 150.360 > 125 128 Sm 0.99695804870279 0.87500000000000 0.53288787583265 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1962858 0.0000000 0.0000000 0.0000000 2.2433831 0.0000000 0.0000000 0.0000000 2.1870715 -------------------------- Born effective charges -------------------------- 1 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 2 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 3 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 4 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 5 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 6 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 7 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 8 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 9 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 10 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 11 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 12 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 13 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 14 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 15 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 16 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 17 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 18 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 19 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 20 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 21 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 22 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 23 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 24 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 25 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 26 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 27 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 28 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 29 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 30 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 31 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 32 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:19:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:19:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.383313280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.655865249999998 Atomic positions (fractional): 1 F 0.83146235744274 0.75000000000000 0.86408423597178 18.998 2 F 0.16853764255726 0.25000000000000 0.13591576402822 18.998 3 F 0.33146235744274 0.75000000000000 0.63591576402822 18.998 4 F 0.66853764255726 0.25000000000000 0.36408423597179 18.998 5 F 0.80433926076220 0.25000000000000 0.83456375649236 18.998 6 F 0.19566073923780 0.75000000000000 0.16543624350764 18.998 7 F 0.30433926076220 0.25000000000000 0.66543624350764 18.998 8 F 0.69566073923780 0.75000000000000 0.33456375649236 18.998 9 F 0.57933181754884 0.96645461708507 0.64661236438411 18.998 10 F 0.42066818245116 0.46645461708507 0.35338763561589 18.998 11 F 0.07933181754884 0.96645461708507 0.85338763561589 18.998 12 F 0.92066818245116 0.46645461708507 0.14661236438411 18.998 13 F 0.98876877827298 0.75000000000000 0.40115364173764 18.998 14 F 0.01123122172702 0.25000000000000 0.59884635826236 18.998 15 F 0.48876877827298 0.75000000000000 0.09884635826236 18.998 16 F 0.51123122172702 0.25000000000000 0.90115364173764 18.998 17 F 0.92066818245116 0.03354538291493 0.14661236438411 18.998 18 F 0.07933181754884 0.53354538291493 0.85338763561589 18.998 19 F 0.42066818245116 0.03354538291493 0.35338763561589 18.998 20 F 0.57933181754884 0.53354538291493 0.64661236438411 18.998 21 K 0.82828630011151 0.99715569373186 0.53205271279831 39.098 22 K 0.17171369988849 0.49715569373186 0.46794728720169 39.098 23 K 0.32828630011151 0.99715569373186 0.96794728720169 39.098 24 K 0.67171369988849 0.49715569373186 0.03205271279831 39.098 25 K 0.82828630011151 0.50284430626814 0.53205271279831 39.098 26 K 0.17171369988849 0.00284430626814 0.46794728720169 39.098 27 K 0.32828630011151 0.50284430626814 0.96794728720169 39.098 28 K 0.67171369988849 0.00284430626814 0.03205271279831 39.098 29 Sm 0.50304195129721 0.25000000000000 0.56577575166531 150.360 30 Sm 0.49695804870279 0.75000000000000 0.43422424833469 150.360 31 Sm 0.00304195129721 0.25000000000000 0.93422424833469 150.360 32 Sm 0.99695804870279 0.75000000000000 0.06577575166531 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.884210250000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.766626560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.311730499999996 Atomic positions (fractional): 1 F 0.83146235744274 0.37500000000000 0.43204211798589 18.998 > 1 2 F 0.83146235744274 0.87500000000000 0.43204211798589 18.998 > 1 3 F 0.83146235744274 0.37500000000000 0.93204211798589 18.998 > 1 4 F 0.83146235744274 0.87500000000000 0.93204211798589 18.998 > 1 5 F 0.16853764255726 0.12500000000000 0.06795788201411 18.998 > 5 6 F 0.16853764255726 0.62500000000000 0.06795788201411 18.998 > 5 7 F 0.16853764255726 0.12500000000000 0.56795788201411 18.998 > 5 8 F 0.16853764255726 0.62500000000000 0.56795788201411 18.998 > 5 9 F 0.33146235744274 0.37500000000000 0.31795788201411 18.998 > 9 10 F 0.33146235744274 0.87500000000000 0.31795788201411 18.998 > 9 11 F 0.33146235744274 0.37500000000000 0.81795788201411 18.998 > 9 12 F 0.33146235744274 0.87500000000000 0.81795788201411 18.998 > 9 13 F 0.66853764255726 0.12500000000000 0.18204211798589 18.998 > 13 14 F 0.66853764255726 0.62500000000000 0.18204211798589 18.998 > 13 15 F 0.66853764255726 0.12500000000000 0.68204211798589 18.998 > 13 16 F 0.66853764255726 0.62500000000000 0.68204211798589 18.998 > 13 17 F 0.80433926076220 0.12500000000000 0.41728187824618 18.998 > 17 18 F 0.80433926076220 0.62500000000000 0.41728187824618 18.998 > 17 19 F 0.80433926076220 0.12500000000000 0.91728187824618 18.998 > 17 20 F 0.80433926076220 0.62500000000000 0.91728187824618 18.998 > 17 21 F 0.19566073923780 0.37500000000000 0.08271812175382 18.998 > 21 22 F 0.19566073923780 0.87500000000000 0.08271812175382 18.998 > 21 23 F 0.19566073923780 0.37500000000000 0.58271812175382 18.998 > 21 24 F 0.19566073923780 0.87500000000000 0.58271812175382 18.998 > 21 25 F 0.30433926076220 0.12500000000000 0.33271812175382 18.998 > 25 26 F 0.30433926076220 0.62500000000000 0.33271812175382 18.998 > 25 27 F 0.30433926076220 0.12500000000000 0.83271812175382 18.998 > 25 28 F 0.30433926076220 0.62500000000000 0.83271812175382 18.998 > 25 29 F 0.69566073923780 0.37500000000000 0.16728187824618 18.998 > 29 30 F 0.69566073923780 0.87500000000000 0.16728187824618 18.998 > 29 31 F 0.69566073923780 0.37500000000000 0.66728187824618 18.998 > 29 32 F 0.69566073923780 0.87500000000000 0.66728187824618 18.998 > 29 33 F 0.57933181754884 0.48322730854253 0.32330618219206 18.998 > 33 34 F 0.57933181754884 0.98322730854253 0.32330618219206 18.998 > 33 35 F 0.57933181754884 0.48322730854253 0.82330618219206 18.998 > 33 36 F 0.57933181754884 0.98322730854253 0.82330618219206 18.998 > 33 37 F 0.42066818245116 0.23322730854253 0.17669381780794 18.998 > 37 38 F 0.42066818245116 0.73322730854253 0.17669381780794 18.998 > 37 39 F 0.42066818245116 0.23322730854253 0.67669381780794 18.998 > 37 40 F 0.42066818245116 0.73322730854253 0.67669381780794 18.998 > 37 41 F 0.07933181754884 0.48322730854253 0.42669381780794 18.998 > 41 42 F 0.07933181754884 0.98322730854253 0.42669381780794 18.998 > 41 43 F 0.07933181754884 0.48322730854253 0.92669381780794 18.998 > 41 44 F 0.07933181754884 0.98322730854253 0.92669381780794 18.998 > 41 45 F 0.92066818245116 0.23322730854253 0.07330618219206 18.998 > 45 46 F 0.92066818245116 0.73322730854253 0.07330618219206 18.998 > 45 47 F 0.92066818245116 0.23322730854253 0.57330618219206 18.998 > 45 48 F 0.92066818245116 0.73322730854253 0.57330618219206 18.998 > 45 49 F 0.98876877827298 0.37500000000000 0.20057682086882 18.998 > 49 50 F 0.98876877827298 0.87500000000000 0.20057682086882 18.998 > 49 51 F 0.98876877827298 0.37500000000000 0.70057682086882 18.998 > 49 52 F 0.98876877827298 0.87500000000000 0.70057682086882 18.998 > 49 53 F 0.01123122172702 0.12500000000000 0.29942317913118 18.998 > 53 54 F 0.01123122172702 0.62500000000000 0.29942317913118 18.998 > 53 55 F 0.01123122172702 0.12500000000000 0.79942317913118 18.998 > 53 56 F 0.01123122172702 0.62500000000000 0.79942317913118 18.998 > 53 57 F 0.48876877827298 0.37500000000000 0.04942317913118 18.998 > 57 58 F 0.48876877827298 0.87500000000000 0.04942317913118 18.998 > 57 59 F 0.48876877827298 0.37500000000000 0.54942317913118 18.998 > 57 60 F 0.48876877827298 0.87500000000000 0.54942317913118 18.998 > 57 61 F 0.51123122172702 0.12500000000000 0.45057682086882 18.998 > 61 62 F 0.51123122172702 0.62500000000000 0.45057682086882 18.998 > 61 63 F 0.51123122172702 0.12500000000000 0.95057682086882 18.998 > 61 64 F 0.51123122172702 0.62500000000000 0.95057682086882 18.998 > 61 65 F 0.92066818245116 0.01677269145747 0.07330618219206 18.998 > 65 66 F 0.92066818245116 0.51677269145747 0.07330618219206 18.998 > 65 67 F 0.92066818245116 0.01677269145747 0.57330618219206 18.998 > 65 68 F 0.92066818245116 0.51677269145747 0.57330618219206 18.998 > 65 69 F 0.07933181754884 0.26677269145747 0.42669381780794 18.998 > 69 70 F 0.07933181754884 0.76677269145747 0.42669381780794 18.998 > 69 71 F 0.07933181754884 0.26677269145747 0.92669381780794 18.998 > 69 72 F 0.07933181754884 0.76677269145747 0.92669381780794 18.998 > 69 73 F 0.42066818245116 0.01677269145747 0.17669381780794 18.998 > 73 74 F 0.42066818245116 0.51677269145747 0.17669381780794 18.998 > 73 75 F 0.42066818245116 0.01677269145747 0.67669381780794 18.998 > 73 76 F 0.42066818245116 0.51677269145747 0.67669381780794 18.998 > 73 77 F 0.57933181754884 0.26677269145747 0.32330618219206 18.998 > 77 78 F 0.57933181754884 0.76677269145747 0.32330618219206 18.998 > 77 79 F 0.57933181754884 0.26677269145747 0.82330618219206 18.998 > 77 80 F 0.57933181754884 0.76677269145747 0.82330618219206 18.998 > 77 81 K 0.82828630011151 0.49857784686593 0.26602635639916 39.098 > 81 82 K 0.82828630011151 0.99857784686593 0.26602635639916 39.098 > 81 83 K 0.82828630011151 0.49857784686593 0.76602635639916 39.098 > 81 84 K 0.82828630011151 0.99857784686593 0.76602635639916 39.098 > 81 85 K 0.17171369988849 0.24857784686593 0.23397364360084 39.098 > 85 86 K 0.17171369988849 0.74857784686593 0.23397364360084 39.098 > 85 87 K 0.17171369988849 0.24857784686593 0.73397364360084 39.098 > 85 88 K 0.17171369988849 0.74857784686593 0.73397364360084 39.098 > 85 89 K 0.32828630011151 0.49857784686593 0.48397364360084 39.098 > 89 90 K 0.32828630011151 0.99857784686593 0.48397364360084 39.098 > 89 91 K 0.32828630011151 0.49857784686593 0.98397364360084 39.098 > 89 92 K 0.32828630011151 0.99857784686593 0.98397364360084 39.098 > 89 93 K 0.67171369988849 0.24857784686593 0.01602635639916 39.098 > 93 94 K 0.67171369988849 0.74857784686593 0.01602635639916 39.098 > 93 95 K 0.67171369988849 0.24857784686593 0.51602635639916 39.098 > 93 96 K 0.67171369988849 0.74857784686593 0.51602635639916 39.098 > 93 97 K 0.82828630011151 0.25142215313407 0.26602635639916 39.098 > 97 98 K 0.82828630011151 0.75142215313407 0.26602635639916 39.098 > 97 99 K 0.82828630011151 0.25142215313407 0.76602635639916 39.098 > 97 100 K 0.82828630011151 0.75142215313407 0.76602635639916 39.098 > 97 101 K 0.17171369988849 0.00142215313407 0.23397364360084 39.098 > 101 102 K 0.17171369988849 0.50142215313407 0.23397364360084 39.098 > 101 103 K 0.17171369988849 0.00142215313407 0.73397364360084 39.098 > 101 104 K 0.17171369988849 0.50142215313407 0.73397364360084 39.098 > 101 105 K 0.32828630011151 0.25142215313407 0.48397364360084 39.098 > 105 106 K 0.32828630011151 0.75142215313407 0.48397364360084 39.098 > 105 107 K 0.32828630011151 0.25142215313407 0.98397364360084 39.098 > 105 108 K 0.32828630011151 0.75142215313407 0.98397364360084 39.098 > 105 109 K 0.67171369988849 0.00142215313407 0.01602635639916 39.098 > 109 110 K 0.67171369988849 0.50142215313407 0.01602635639916 39.098 > 109 111 K 0.67171369988849 0.00142215313407 0.51602635639916 39.098 > 109 112 K 0.67171369988849 0.50142215313407 0.51602635639916 39.098 > 109 113 Sm 0.50304195129721 0.12500000000000 0.28288787583265 150.360 > 113 114 Sm 0.50304195129721 0.62500000000000 0.28288787583265 150.360 > 113 115 Sm 0.50304195129721 0.12500000000000 0.78288787583265 150.360 > 113 116 Sm 0.50304195129721 0.62500000000000 0.78288787583265 150.360 > 113 117 Sm 0.49695804870279 0.37500000000000 0.21711212416735 150.360 > 117 118 Sm 0.49695804870279 0.87500000000000 0.21711212416735 150.360 > 117 119 Sm 0.49695804870279 0.37500000000000 0.71711212416735 150.360 > 117 120 Sm 0.49695804870279 0.87500000000000 0.71711212416735 150.360 > 117 121 Sm 0.00304195129721 0.12500000000000 0.46711212416735 150.360 > 121 122 Sm 0.00304195129721 0.62500000000000 0.46711212416735 150.360 > 121 123 Sm 0.00304195129721 0.12500000000000 0.96711212416735 150.360 > 121 124 Sm 0.00304195129721 0.62500000000000 0.96711212416735 150.360 > 121 125 Sm 0.99695804870279 0.37500000000000 0.03288787583265 150.360 > 125 126 Sm 0.99695804870279 0.87500000000000 0.03288787583265 150.360 > 125 127 Sm 0.99695804870279 0.37500000000000 0.53288787583265 150.360 > 125 128 Sm 0.99695804870279 0.87500000000000 0.53288787583265 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1962858 0.0000000 0.0000000 0.0000000 2.2433831 0.0000000 0.0000000 0.0000000 2.1870715 -------------------------- Born effective charges -------------------------- 1 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 2 F -1.3579226 0.0000000 -0.3693713 0.0000000 -0.9858270 0.0000000 -0.3485984 0.0000000 -1.1606377 3 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 4 F -1.3579226 0.0000000 0.3693713 0.0000000 -0.9858270 0.0000000 0.3485984 0.0000000 -1.1606377 5 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 6 F -1.5918671 0.0000000 -0.1826255 0.0000000 -0.9811521 0.0000000 -0.2096262 0.0000000 -0.9813129 7 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 8 F -1.5918671 0.0000000 0.1826255 0.0000000 -0.9811521 0.0000000 0.2096262 0.0000000 -0.9813129 9 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 10 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 11 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 12 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 13 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 14 F -0.9477062 0.0000000 0.0725926 0.0000000 -0.9491550 0.0000000 0.0730278 0.0000000 -1.5669766 15 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 16 F -0.9477062 0.0000000 -0.0725926 0.0000000 -0.9491550 0.0000000 -0.0730278 0.0000000 -1.5669766 17 F -0.9456910 0.0245488 0.1841803 0.0183589 -1.6420406 0.2122356 0.1978209 0.1875198 -1.0078286 18 F -0.9456910 -0.0245488 0.1841803 -0.0183589 -1.6420406 -0.2122356 0.1978209 -0.1875198 -1.0078286 19 F -0.9456910 0.0245488 -0.1841803 0.0183589 -1.6420406 -0.2122356 -0.1978209 -0.1875198 -1.0078286 20 F -0.9456910 -0.0245488 -0.1841803 -0.0183589 -1.6420406 0.2122356 -0.1978209 0.1875198 -1.0078286 21 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 22 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 23 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 24 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 25 K 1.2183650 -0.0097712 0.0337422 0.0046391 1.1757248 -0.0630143 -0.0096046 -0.1014733 1.1901819 26 K 1.2183650 0.0097712 0.0337422 -0.0046391 1.1757248 0.0630143 -0.0096046 0.1014733 1.1901819 27 K 1.2183650 -0.0097712 -0.0337422 0.0046391 1.1757248 0.0630143 0.0096046 0.1014733 1.1901819 28 K 1.2183650 0.0097712 -0.0337422 -0.0046391 1.1757248 -0.0630143 0.0096046 -0.1014733 1.1901819 29 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 30 Sm 3.3521479 0.0000000 -0.2207208 0.0000000 3.8487659 0.0000000 -0.2159072 0.0000000 3.3442204 31 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 32 Sm 3.3521479 0.0000000 0.2207208 0.0000000 3.8487659 0.0000000 0.2159072 0.0000000 3.3442204 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) 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 7 8 ] 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: 0.51, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 19.617 0.000 0.000) 19.617 0.415 ( 22.378 0.000 0.000) 22.378 0.665 ( 34.768 0.000 0.000) 34.768 1.439 ( -16.685 0.000 0.000) 16.685 1.489 ( -13.386 0.000 0.000) 13.386 1.820 ( -2.755 0.000 0.000) 2.755 1.852 ( 1.328 0.000 0.000) 1.328 1.927 ( -0.644 0.000 0.000) 0.644 2.082 ( 6.421 0.000 0.000) 6.421 2.232 ( 9.402 0.000 0.000) 9.402 2.325 ( 7.443 0.000 0.000) 7.443 2.664 ( -2.979 0.000 0.000) 2.979 2.749 ( 1.441 0.000 0.000) 1.441 2.999 ( -0.140 0.000 0.000) 0.140 3.008 ( 0.408 0.000 0.000) 0.408 3.041 ( 0.705 0.000 0.000) 0.705 3.065 ( -1.555 0.000 0.000) 1.555 3.137 ( -0.429 0.000 0.000) 0.429 3.180 ( -0.872 0.000 0.000) 0.872 3.249 ( -6.830 0.000 0.000) 6.830 3.446 ( -2.831 0.000 0.000) 2.831 3.455 ( -9.553 0.000 0.000) 9.553 3.480 ( -4.246 0.000 0.000) 4.246 3.612 ( -3.952 0.000 0.000) 3.952 3.717 ( 2.838 0.000 0.000) 2.838 3.741 ( -1.226 0.000 0.000) 1.226 3.782 ( 6.950 0.000 0.000) 6.950 3.860 ( -1.967 0.000 0.000) 1.967 3.878 ( -0.903 0.000 0.000) 0.903 3.947 ( 1.607 0.000 0.000) 1.607 3.962 ( -0.325 0.000 0.000) 0.325 3.990 ( 3.784 0.000 0.000) 3.784 4.090 ( -2.741 0.000 0.000) 2.741 4.152 ( -1.743 0.000 0.000) 1.743 4.469 ( 5.280 0.000 0.000) 5.280 4.502 ( 5.208 0.000 0.000) 5.208 4.514 ( 3.852 0.000 0.000) 3.852 4.575 ( 5.228 0.000 0.000) 5.228 4.648 ( -2.811 0.000 0.000) 2.811 4.713 ( -2.349 0.000 0.000) 2.349 4.759 ( -2.106 0.000 0.000) 2.106 4.859 ( -2.868 0.000 0.000) 2.868 4.863 ( 5.160 0.000 0.000) 5.160 5.051 ( 1.071 0.000 0.000) 1.071 5.170 ( -3.595 0.000 0.000) 3.595 5.187 ( -5.937 0.000 0.000) 5.937 5.393 ( -0.075 0.000 0.000) 0.075 5.417 ( 2.402 0.000 0.000) 2.402 5.483 ( -3.071 0.000 0.000) 3.071 5.618 ( -2.576 0.000 0.000) 2.576 5.618 ( -0.968 0.000 0.000) 0.968 5.625 ( 0.569 0.000 0.000) 0.569 5.727 ( 1.647 0.000 0.000) 1.647 5.912 ( -2.939 0.000 0.000) 2.939 6.034 ( 6.498 0.000 0.000) 6.498 6.103 ( 2.096 0.000 0.000) 2.096 6.205 ( 0.002 0.000 0.000) 0.002 6.251 ( -3.093 0.000 0.000) 3.093 6.498 ( 4.166 0.000 0.000) 4.166 6.656 ( -1.264 0.000 0.000) 1.264 6.760 ( -1.295 0.000 0.000) 1.295 6.837 ( -3.154 0.000 0.000) 3.154 7.229 ( 0.805 0.000 0.000) 0.805 7.232 ( 0.971 0.000 0.000) 0.971 7.457 ( 1.019 0.000 0.000) 1.019 7.468 ( 1.236 0.000 0.000) 1.236 7.655 ( 1.549 0.000 0.000) 1.549 7.825 ( 1.571 0.000 0.000) 1.571 7.833 ( -3.597 0.000 0.000) 3.597 7.939 ( -1.062 0.000 0.000) 1.062 8.423 ( 6.349 0.000 0.000) 6.349 8.797 ( 3.004 0.000 0.000) 3.004 8.968 ( -7.737 0.000 0.000) 7.737 9.155 ( -4.754 0.000 0.000) 4.754 9.284 ( -0.007 0.000 0.000) 0.007 9.288 ( -0.098 0.000 0.000) 0.098 9.470 ( 0.659 0.000 0.000) 0.659 9.510 ( -0.353 0.000 0.000) 0.353 9.826 ( -0.968 0.000 0.000) 0.968 9.934 ( 1.557 0.000 0.000) 1.557 10.018 ( 1.690 0.000 0.000) 1.690 10.102 ( 5.875 0.000 0.000) 5.875 10.301 ( 0.805 0.000 0.000) 0.805 10.333 ( -3.859 0.000 0.000) 3.859 10.434 ( 1.788 0.000 0.000) 1.788 10.490 ( 1.652 0.000 0.000) 1.652 10.501 ( -1.284 0.000 0.000) 1.284 10.537 ( 0.754 0.000 0.000) 0.754 10.629 ( -1.797 0.000 0.000) 1.797 10.727 ( -3.892 0.000 0.000) 3.892 11.898 ( 4.867 0.000 0.000) 4.867 12.235 ( -3.867 0.000 0.000) 3.867 12.507 ( 0.783 0.000 0.000) 0.783 12.551 ( -0.430 0.000 0.000) 0.430 13.074 ( 1.310 0.000 0.000) 1.310 13.171 ( -1.122 0.000 0.000) 1.122 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 19.794 0.000 0.000) 19.794 0.817 ( 21.196 0.000 0.000) 21.196 1.071 ( -15.178 0.000 0.000) 15.178 1.187 ( -18.723 0.000 0.000) 18.723 1.282 ( 23.926 0.000 0.000) 23.926 1.673 ( -14.762 0.000 0.000) 14.762 1.881 ( 1.688 0.000 0.000) 1.688 1.909 ( -1.269 0.000 0.000) 1.269 2.220 ( 7.535 0.000 0.000) 7.535 2.315 ( -1.329 0.000 0.000) 1.329 2.468 ( 7.395 0.000 0.000) 7.395 2.587 ( -5.431 0.000 0.000) 5.431 2.845 ( 9.526 0.000 0.000) 9.526 2.996 ( 0.301 0.000 0.000) 0.301 3.024 ( 1.310 0.000 0.000) 1.310 3.027 ( -2.346 0.000 0.000) 2.346 3.046 ( -0.583 0.000 0.000) 0.583 3.063 ( -12.426 0.000 0.000) 12.426 3.133 ( 0.495 0.000 0.000) 0.495 3.156 ( -1.572 0.000 0.000) 1.572 3.383 ( 2.488 0.000 0.000) 2.488 3.406 ( -0.893 0.000 0.000) 0.893 3.419 ( -2.152 0.000 0.000) 2.152 3.493 ( -7.791 0.000 0.000) 7.791 3.738 ( 0.574 0.000 0.000) 0.574 3.745 ( 0.235 0.000 0.000) 0.235 3.832 ( 0.259 0.000 0.000) 0.259 3.852 ( -1.612 0.000 0.000) 1.612 3.925 ( 6.823 0.000 0.000) 6.823 3.964 ( 0.334 0.000 0.000) 0.334 3.966 ( 0.373 0.000 0.000) 0.373 4.030 ( -4.283 0.000 0.000) 4.283 4.053 ( 3.023 0.000 0.000) 3.023 4.105 ( -2.865 0.000 0.000) 2.865 4.568 ( 2.969 0.000 0.000) 2.969 4.585 ( 4.984 0.000 0.000) 4.984 4.599 ( -1.941 0.000 0.000) 1.941 4.600 ( 4.763 0.000 0.000) 4.763 4.651 ( 0.450 0.000 0.000) 0.450 4.669 ( -2.813 0.000 0.000) 2.813 4.767 ( 3.075 0.000 0.000) 3.075 4.812 ( -1.542 0.000 0.000) 1.542 4.970 ( 6.190 0.000 0.000) 6.190 5.025 ( -2.931 0.000 0.000) 2.931 5.043 ( -6.530 0.000 0.000) 6.530 5.082 ( -5.738 0.000 0.000) 5.738 5.439 ( 3.256 0.000 0.000) 3.256 5.465 ( 0.277 0.000 0.000) 0.277 5.477 ( 3.967 0.000 0.000) 3.967 5.554 ( -4.117 0.000 0.000) 4.117 5.595 ( -1.105 0.000 0.000) 1.105 5.605 ( -1.965 0.000 0.000) 1.965 5.774 ( 3.350 0.000 0.000) 3.350 5.845 ( -4.092 0.000 0.000) 4.092 6.140 ( 4.484 0.000 0.000) 4.484 6.150 ( 2.793 0.000 0.000) 2.793 6.193 ( -1.534 0.000 0.000) 1.534 6.201 ( -2.536 0.000 0.000) 2.536 6.571 ( 3.505 0.000 0.000) 3.505 6.624 ( -2.264 0.000 0.000) 2.264 6.746 ( 0.250 0.000 0.000) 0.250 6.776 ( -2.868 0.000 0.000) 2.868 7.244 ( 0.710 0.000 0.000) 0.710 7.248 ( 0.433 0.000 0.000) 0.433 7.477 ( 0.908 0.000 0.000) 0.908 7.484 ( 0.271 0.000 0.000) 0.271 7.695 ( 2.863 0.000 0.000) 2.863 7.759 ( -3.978 0.000 0.000) 3.978 7.864 ( 2.530 0.000 0.000) 2.530 7.909 ( -2.156 0.000 0.000) 2.156 8.574 ( 9.595 0.000 0.000) 9.595 8.759 ( -9.562 0.000 0.000) 9.562 8.918 ( 5.277 0.000 0.000) 5.277 9.041 ( -7.100 0.000 0.000) 7.100 9.285 ( 0.058 0.000 0.000) 0.058 9.286 ( -0.119 0.000 0.000) 0.119 9.485 ( 0.887 0.000 0.000) 0.887 9.500 ( -0.700 0.000 0.000) 0.700 9.836 ( 2.063 0.000 0.000) 2.063 9.893 ( -3.678 0.000 0.000) 3.678 10.122 ( 7.004 0.000 0.000) 7.004 10.205 ( 3.117 0.000 0.000) 3.117 10.255 ( -3.140 0.000 0.000) 3.140 10.294 ( -2.113 0.000 0.000) 2.113 10.460 ( 1.060 0.000 0.000) 1.060 10.477 ( -1.044 0.000 0.000) 1.044 10.532 ( 2.759 0.000 0.000) 2.759 10.567 ( 2.800 0.000 0.000) 2.800 10.585 ( -2.848 0.000 0.000) 2.848 10.641 ( -4.855 0.000 0.000) 4.855 12.012 ( 7.007 0.000 0.000) 7.007 12.138 ( -6.407 0.000 0.000) 6.407 12.523 ( 0.954 0.000 0.000) 0.954 12.540 ( -0.779 0.000 0.000) 0.779 13.105 ( 2.019 0.000 0.000) 2.019 13.143 ( -1.902 0.000 0.000) 1.902 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 22.834 0.000) 22.834 0.454 ( 0.000 23.557 0.000) 23.557 0.922 ( 0.000 46.441 0.000) 46.441 1.646 ( 0.000 3.633 0.000) 3.633 1.807 ( 0.000 -2.354 0.000) 2.354 1.860 ( 0.000 20.991 0.000) 20.991 1.893 ( 0.000 5.174 0.000) 5.174 1.964 ( 0.000 -3.713 0.000) 3.713 1.996 ( 0.000 4.462 0.000) 4.462 2.066 ( 0.000 -3.292 0.000) 3.292 2.356 ( 0.000 10.627 0.000) 10.627 2.612 ( 0.000 -11.755 0.000) 11.755 2.832 ( 0.000 4.969 0.000) 4.969 2.872 ( 0.000 -9.197 0.000) 9.197 2.916 ( 0.000 -4.266 0.000) 4.266 3.027 ( 0.000 2.178 0.000) 2.178 3.056 ( 0.000 2.386 0.000) 2.386 3.267 ( 0.000 5.388 0.000) 5.388 3.269 ( 0.000 5.833 0.000) 5.833 3.300 ( 0.000 -1.870 0.000) 1.870 3.460 ( 0.000 -0.266 0.000) 0.266 3.521 ( 0.000 -1.907 0.000) 1.907 3.587 ( 0.000 -0.863 0.000) 0.863 3.596 ( 0.000 -2.781 0.000) 2.781 3.662 ( 0.000 10.628 0.000) 10.628 3.665 ( 0.000 1.083 0.000) 1.083 3.682 ( 0.000 -1.488 0.000) 1.488 3.875 ( 0.000 -2.436 0.000) 2.436 3.879 ( 0.000 -2.723 0.000) 2.723 3.929 ( 0.000 -0.502 0.000) 0.502 3.965 ( 0.000 5.059 0.000) 5.059 4.042 ( 0.000 9.859 0.000) 9.859 4.176 ( 0.000 1.247 0.000) 1.247 4.389 ( 0.000 7.149 0.000) 7.149 4.392 ( 0.000 -1.687 0.000) 1.687 4.438 ( 0.000 -1.767 0.000) 1.767 4.474 ( 0.000 -0.334 0.000) 0.334 4.490 ( 0.000 -3.142 0.000) 3.142 4.670 ( 0.000 -8.723 0.000) 8.723 4.683 ( 0.000 1.483 0.000) 1.483 4.813 ( 0.000 5.556 0.000) 5.556 4.860 ( 0.000 -4.569 0.000) 4.569 4.868 ( 0.000 3.379 0.000) 3.379 5.003 ( 0.000 -1.716 0.000) 1.716 5.076 ( 0.000 -7.462 0.000) 7.462 5.209 ( 0.000 -1.394 0.000) 1.394 5.300 ( 0.000 -2.540 0.000) 2.540 5.399 ( 0.000 -10.937 0.000) 10.937 5.405 ( 0.000 -7.940 0.000) 7.940 5.489 ( 0.000 2.365 0.000) 2.365 5.540 ( 0.000 -5.398 0.000) 5.398 5.689 ( 0.000 1.623 0.000) 1.623 5.729 ( 0.000 6.158 0.000) 6.158 5.906 ( 0.000 -3.009 0.000) 3.009 6.025 ( 0.000 -5.150 0.000) 5.150 6.167 ( 0.000 -4.005 0.000) 4.005 6.308 ( 0.000 0.980 0.000) 0.980 6.408 ( 0.000 -4.062 0.000) 4.062 6.426 ( 0.000 2.752 0.000) 2.752 6.428 ( 0.000 0.396 0.000) 0.396 6.832 ( 0.000 6.130 0.000) 6.130 7.178 ( 0.000 -2.771 0.000) 2.771 7.250 ( 0.000 2.802 0.000) 2.802 7.299 ( 0.000 4.164 0.000) 4.164 7.319 ( 0.000 -8.835 0.000) 8.835 7.438 ( 0.000 -1.030 0.000) 1.030 7.650 ( 0.000 5.082 0.000) 5.082 7.788 ( 0.000 -5.654 0.000) 5.654 8.029 ( 0.000 5.481 0.000) 5.481 8.205 ( 0.000 1.867 0.000) 1.867 8.345 ( 0.000 -1.445 0.000) 1.445 8.658 ( 0.000 -4.637 0.000) 4.637 8.823 ( 0.000 5.463 0.000) 5.463 9.135 ( 0.000 -0.632 0.000) 0.632 9.428 ( 0.000 -6.005 0.000) 6.005 9.455 ( 0.000 10.903 0.000) 10.903 9.490 ( 0.000 2.458 0.000) 2.458 9.750 ( 0.000 5.719 0.000) 5.719 9.842 ( 0.000 -0.751 0.000) 0.751 9.898 ( 0.000 0.681 0.000) 0.681 10.021 ( 0.000 -0.267 0.000) 0.267 10.111 ( 0.000 7.783 0.000) 7.783 10.353 ( 0.000 -2.667 0.000) 2.667 10.380 ( 0.000 -1.474 0.000) 1.474 10.398 ( 0.000 0.568 0.000) 0.568 10.455 ( 0.000 -1.659 0.000) 1.659 10.526 ( 0.000 -0.479 0.000) 0.479 10.530 ( 0.000 -1.211 0.000) 1.211 10.717 ( 0.000 6.644 0.000) 6.644 10.748 ( 0.000 -1.772 0.000) 1.772 11.747 ( 0.000 -10.364 0.000) 10.364 12.032 ( 0.000 -14.685 0.000) 14.685 12.551 ( 0.000 11.324 0.000) 11.324 12.602 ( 0.000 4.851 0.000) 4.851 13.058 ( 0.000 -0.413 0.000) 0.413 13.184 ( 0.000 -0.034 0.000) 0.034 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.777 18.194 0.000) 21.674 0.606 ( 15.483 14.971 0.000) 21.537 1.120 ( 18.531 37.229 0.000) 41.586 1.473 ( -14.944 4.010 0.000) 15.473 1.618 ( -14.767 5.806 0.000) 15.868 1.870 ( -2.940 11.812 0.000) 12.172 1.905 ( 1.283 4.704 0.000) 4.876 1.980 ( 1.380 -0.779 0.000) 1.585 2.061 ( 6.217 1.923 0.000) 6.507 2.187 ( 7.906 -4.720 0.000) 9.208 2.448 ( 8.060 11.739 0.000) 14.239 2.637 ( 3.509 -9.303 0.000) 9.943 2.811 ( -2.511 10.174 0.000) 10.479 2.872 ( -0.104 -9.233 0.000) 9.233 2.897 ( -1.206 -8.448 0.000) 8.534 3.029 ( 0.241 2.028 0.000) 2.042 3.072 ( 1.400 2.749 0.000) 3.085 3.202 ( -6.383 -0.958 0.000) 6.454 3.231 ( -2.620 6.059 0.000) 6.601 3.287 ( -1.708 4.412 0.000) 4.731 3.455 ( -8.715 0.078 0.000) 8.715 3.479 ( -3.251 -0.297 0.000) 3.265 3.506 ( 0.480 -2.428 0.000) 2.475 3.567 ( -3.600 0.390 0.000) 3.621 3.639 ( -0.346 1.726 0.000) 1.760 3.690 ( 1.411 -1.111 0.000) 1.796 3.788 ( 7.288 -0.544 0.000) 7.308 3.872 ( -0.326 -1.535 0.000) 1.570 3.885 ( 0.667 -1.852 0.000) 1.969 3.922 ( -0.922 -0.841 0.000) 1.248 3.945 ( -1.109 2.572 0.000) 2.801 4.089 ( 3.878 9.304 0.000) 10.079 4.151 ( -2.908 1.278 0.000) 3.176 4.304 ( -6.121 10.018 0.000) 11.740 4.451 ( 5.155 -1.744 0.000) 5.442 4.498 ( 4.725 -0.725 0.000) 4.781 4.503 ( 2.814 -1.242 0.000) 3.076 4.538 ( 5.302 -3.491 0.000) 6.348 4.647 ( -2.843 0.969 0.000) 3.004 4.658 ( -0.389 -5.817 0.000) 5.830 4.813 ( -2.297 4.610 0.000) 5.151 4.841 ( -2.115 -2.890 0.000) 3.581 4.873 ( 3.742 1.425 0.000) 4.004 5.034 ( 1.322 -1.473 0.000) 1.979 5.075 ( -1.645 -7.315 0.000) 7.498 5.172 ( -4.709 -2.091 0.000) 5.152 5.281 ( 2.607 -4.756 0.000) 5.423 5.407 ( 1.413 -7.606 0.000) 7.737 5.477 ( -0.159 2.423 0.000) 2.429 5.500 ( -3.656 -6.310 0.000) 7.293 5.553 ( 7.068 -7.036 0.000) 9.974 5.680 ( -1.570 0.941 0.000) 1.831 5.747 ( 1.558 4.932 0.000) 5.173 5.878 ( -2.719 -3.354 0.000) 4.318 6.001 ( -1.389 -4.089 0.000) 4.318 6.163 ( -1.069 -3.477 0.000) 3.637 6.270 ( -4.581 7.412 0.000) 8.713 6.280 ( -1.484 1.226 0.000) 1.925 6.442 ( 2.322 -5.173 0.000) 5.670 6.510 ( 0.847 -4.780 0.000) 4.855 6.833 ( 0.261 6.994 0.000) 6.999 7.055 ( -9.161 5.438 0.000) 10.653 7.241 ( -0.626 0.966 0.000) 1.151 7.264 ( -1.463 2.805 0.000) 3.163 7.365 ( 4.095 -6.535 0.000) 7.712 7.465 ( 2.338 0.496 0.000) 2.390 7.702 ( 2.452 2.755 0.000) 3.689 7.753 ( -3.341 -5.603 0.000) 6.524 8.010 ( -8.202 11.754 0.000) 14.332 8.024 ( -0.542 6.163 0.000) 6.187 8.405 ( 5.999 -1.756 0.000) 6.251 8.749 ( 3.160 -9.766 0.000) 10.264 8.846 ( 1.015 3.970 0.000) 4.098 9.108 ( -3.052 -0.188 0.000) 3.058 9.405 ( -1.735 -0.675 0.000) 1.862 9.433 ( -1.999 10.036 0.000) 10.233 9.496 ( 0.680 2.541 0.000) 2.631 9.643 ( -6.844 10.431 0.000) 12.476 9.834 ( -0.169 0.424 0.000) 0.456 9.953 ( 2.760 1.858 0.000) 3.328 10.024 ( 1.274 -0.437 0.000) 1.347 10.158 ( 4.159 5.597 0.000) 6.973 10.303 ( -2.022 -0.678 0.000) 2.133 10.330 ( -3.522 -0.487 0.000) 3.555 10.437 ( 2.027 0.712 0.000) 2.148 10.470 ( 1.943 -1.828 0.000) 2.668 10.493 ( -1.563 -0.509 0.000) 1.643 10.532 ( 0.506 -0.484 0.000) 0.700 10.692 ( -2.658 6.147 0.000) 6.697 10.711 ( -3.673 -1.580 0.000) 3.999 11.791 ( 4.456 -10.685 0.000) 11.576 12.054 ( -0.564 -15.971 0.000) 15.981 12.563 ( 0.827 7.865 0.000) 7.908 12.598 ( -0.355 4.916 0.000) 4.929 13.071 ( 1.368 -0.373 0.000) 1.418 13.173 ( -1.169 -0.066 0.000) 1.171 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 15.753 11.136 0.000) 19.292 0.930 ( 17.257 7.939 0.000) 18.996 1.173 ( -14.903 8.757 0.000) 17.285 1.309 ( -18.133 7.692 0.000) 19.697 1.498 ( 19.226 22.546 0.000) 29.631 1.766 ( -9.248 12.164 0.000) 15.281 1.937 ( 2.277 4.393 0.000) 4.948 1.982 ( -1.843 4.029 0.000) 4.430 2.173 ( 5.652 -2.544 0.000) 6.198 2.248 ( -1.424 -6.336 0.000) 6.494 2.599 ( 7.663 12.433 0.000) 14.605 2.711 ( -2.795 8.135 0.000) 8.602 2.794 ( 7.411 -0.414 0.000) 7.423 2.868 ( -0.231 -9.018 0.000) 9.021 2.885 ( 0.006 -9.638 0.000) 9.638 2.994 ( -7.870 -2.924 0.000) 8.395 3.091 ( -1.637 3.210 0.000) 3.603 3.093 ( 0.438 3.900 0.000) 3.925 3.191 ( -1.019 3.682 0.000) 3.821 3.220 ( -3.990 3.493 0.000) 5.303 3.390 ( 1.790 0.698 0.000) 1.921 3.443 ( -0.167 2.053 0.000) 2.059 3.462 ( -3.933 0.132 0.000) 3.936 3.480 ( -4.700 2.504 0.000) 5.326 3.658 ( 1.690 -3.966 0.000) 4.311 3.689 ( -1.339 -3.296 0.000) 3.558 3.860 ( 1.333 0.909 0.000) 1.613 3.890 ( -1.412 3.192 0.000) 3.490 3.905 ( 0.639 -5.578 0.000) 5.615 3.923 ( -0.298 -3.051 0.000) 3.065 3.948 ( 6.535 1.419 0.000) 6.687 4.070 ( -5.765 1.265 0.000) 5.902 4.159 ( 3.412 9.590 0.000) 10.179 4.218 ( -3.418 9.980 0.000) 10.549 4.545 ( 4.074 -2.513 0.000) 4.787 4.549 ( 2.160 -2.888 0.000) 3.606 4.571 ( 1.908 -2.367 0.000) 3.040 4.580 ( -1.442 -2.764 0.000) 3.118 4.651 ( 2.771 0.796 0.000) 2.883 4.668 ( 0.552 -1.091 0.000) 1.222 4.787 ( 0.222 1.639 0.000) 1.654 4.801 ( -1.304 -1.418 0.000) 1.927 4.951 ( 3.248 -1.283 0.000) 3.492 5.008 ( -4.645 -3.682 0.000) 5.927 5.032 ( 0.218 -0.137 0.000) 0.257 5.084 ( -4.143 -0.963 0.000) 4.253 5.350 ( 3.923 -6.385 0.000) 7.494 5.421 ( -3.688 -6.156 0.000) 7.176 5.460 ( 2.711 -2.796 0.000) 3.895 5.482 ( 0.599 2.641 0.000) 2.708 5.607 ( 0.062 -1.741 0.000) 1.743 5.631 ( -2.986 -0.169 0.000) 2.991 5.770 ( 1.738 -0.903 0.000) 1.958 5.820 ( -3.277 -3.096 0.000) 4.508 6.036 ( 4.380 -4.543 0.000) 6.310 6.116 ( -3.773 -3.559 0.000) 5.186 6.256 ( 1.156 4.269 0.000) 4.423 6.270 ( -0.153 2.525 0.000) 2.530 6.473 ( 1.176 -7.444 0.000) 7.537 6.497 ( -1.495 -7.391 0.000) 7.541 6.854 ( 2.272 8.053 0.000) 8.368 6.922 ( -5.312 8.012 0.000) 9.613 7.237 ( 0.253 -0.566 0.000) 0.620 7.247 ( -0.674 0.153 0.000) 0.691 7.446 ( 4.272 -3.146 0.000) 5.306 7.494 ( -0.182 0.846 0.000) 0.865 7.695 ( -1.899 -4.231 0.000) 4.637 7.700 ( -1.567 0.433 0.000) 1.626 7.972 ( 1.584 9.350 0.000) 9.483 8.006 ( -1.546 7.661 0.000) 7.816 8.544 ( 8.637 -2.819 0.000) 9.086 8.699 ( -7.287 -5.865 0.000) 9.354 8.909 ( 5.839 2.525 0.000) 6.362 9.023 ( -5.888 1.006 0.000) 5.973 9.386 ( -0.169 5.019 0.000) 5.022 9.398 ( -1.441 7.913 0.000) 8.044 9.515 ( 1.511 3.223 0.000) 3.560 9.556 ( -3.078 5.973 0.000) 6.719 9.853 ( 2.362 1.485 0.000) 2.790 9.915 ( -3.950 2.023 0.000) 4.438 10.126 ( 6.836 -0.014 0.000) 6.836 10.217 ( -0.387 0.833 0.000) 0.918 10.267 ( -1.332 0.933 0.000) 1.626 10.286 ( -0.922 -1.077 0.000) 1.418 10.461 ( 0.825 0.065 0.000) 0.827 10.474 ( -0.726 -0.395 0.000) 0.826 10.529 ( 3.797 0.411 0.000) 3.819 10.552 ( 1.540 -0.998 0.000) 1.835 10.629 ( -3.610 4.480 0.000) 5.754 10.634 ( -3.956 -0.569 0.000) 3.996 11.893 ( 6.149 -11.671 0.000) 13.192 11.999 ( -4.865 -13.429 0.000) 14.283 12.577 ( 0.710 5.850 0.000) 5.893 12.589 ( -0.605 5.169 0.000) 5.205 13.104 ( 2.107 -0.271 0.000) 2.124 13.143 ( -1.984 -0.154 0.000) 1.990 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 22.435 0.000) 22.435 0.910 ( 0.000 23.498 0.000) 23.498 1.748 ( 0.000 6.771 0.000) 6.771 1.757 ( 0.000 37.112 0.000) 37.112 1.766 ( 0.000 -1.631 0.000) 1.631 1.862 ( 0.000 -5.393 0.000) 5.393 1.954 ( 0.000 -8.490 0.000) 8.490 2.003 ( 0.000 -5.378 0.000) 5.378 2.017 ( 0.000 7.135 0.000) 7.135 2.360 ( 0.000 25.964 0.000) 25.964 2.364 ( 0.000 -11.517 0.000) 11.517 2.602 ( 0.000 13.632 0.000) 13.632 2.636 ( 0.000 -10.482 0.000) 10.482 2.764 ( 0.000 0.422 0.000) 0.422 3.080 ( 0.000 2.774 0.000) 2.774 3.125 ( 0.000 4.747 0.000) 4.747 3.206 ( 0.000 18.238 0.000) 18.238 3.240 ( 0.000 -4.323 0.000) 4.323 3.325 ( 0.000 -0.512 0.000) 0.512 3.404 ( 0.000 9.114 0.000) 9.114 3.421 ( 0.000 -4.986 0.000) 4.986 3.475 ( 0.000 -2.598 0.000) 2.598 3.508 ( 0.000 -5.100 0.000) 5.100 3.566 ( 0.000 -1.988 0.000) 1.988 3.644 ( 0.000 -1.378 0.000) 1.378 3.732 ( 0.000 5.952 0.000) 5.952 3.781 ( 0.000 -6.335 0.000) 6.335 3.818 ( 0.000 -2.871 0.000) 2.871 3.879 ( 0.000 10.673 0.000) 10.673 3.959 ( 0.000 2.767 0.000) 2.767 4.099 ( 0.000 7.825 0.000) 7.825 4.182 ( 0.000 -3.215 0.000) 3.215 4.260 ( 0.000 11.262 0.000) 11.262 4.340 ( 0.000 -6.224 0.000) 6.224 4.360 ( 0.000 -0.969 0.000) 0.969 4.395 ( 0.000 -6.131 0.000) 6.131 4.440 ( 0.000 -6.487 0.000) 6.487 4.484 ( 0.000 -6.309 0.000) 6.309 4.485 ( 0.000 1.207 0.000) 1.207 4.712 ( 0.000 -8.613 0.000) 8.613 4.808 ( 0.000 12.042 0.000) 12.042 4.855 ( 0.000 -3.548 0.000) 3.548 4.934 ( 0.000 2.966 0.000) 2.966 5.018 ( 0.000 0.021 0.000) 0.021 5.049 ( 0.000 8.488 0.000) 8.488 5.172 ( 0.000 -11.238 0.000) 11.238 5.177 ( 0.000 -1.738 0.000) 1.738 5.223 ( 0.000 -4.798 0.000) 4.798 5.254 ( 0.000 -7.314 0.000) 7.314 5.408 ( 0.000 -7.547 0.000) 7.547 5.491 ( 0.000 -2.491 0.000) 2.491 5.681 ( 0.000 -2.769 0.000) 2.769 5.820 ( 0.000 2.889 0.000) 2.889 5.850 ( 0.000 -2.258 0.000) 2.258 5.912 ( 0.000 -5.707 0.000) 5.707 6.035 ( 0.000 -9.213 0.000) 9.213 6.311 ( 0.000 -0.601 0.000) 0.601 6.328 ( 0.000 -3.118 0.000) 3.118 6.442 ( 0.000 1.104 0.000) 1.104 6.472 ( 0.000 1.723 0.000) 1.723 6.991 ( 0.000 9.322 0.000) 9.322 7.123 ( 0.000 -2.768 0.000) 2.768 7.165 ( 0.000 -6.394 0.000) 6.394 7.324 ( 0.000 4.692 0.000) 4.692 7.397 ( 0.000 -3.380 0.000) 3.380 7.402 ( 0.000 6.453 0.000) 6.453 7.674 ( 0.000 -6.141 0.000) 6.141 7.705 ( 0.000 0.323 0.000) 0.323 8.134 ( 0.000 5.134 0.000) 5.134 8.262 ( 0.000 3.972 0.000) 3.972 8.312 ( 0.000 -1.873 0.000) 1.873 8.552 ( 0.000 -5.730 0.000) 5.730 8.952 ( 0.000 7.251 0.000) 7.251 9.207 ( 0.000 7.514 0.000) 7.514 9.314 ( 0.000 -5.752 0.000) 5.752 9.542 ( 0.000 2.376 0.000) 2.376 9.637 ( 0.000 7.259 0.000) 7.259 9.809 ( 0.000 -2.747 0.000) 2.747 9.841 ( 0.000 3.407 0.000) 3.407 9.909 ( 0.000 0.233 0.000) 0.233 10.028 ( 0.000 1.447 0.000) 1.447 10.280 ( 0.000 -4.714 0.000) 4.714 10.308 ( 0.000 7.253 0.000) 7.253 10.361 ( 0.000 4.678 0.000) 4.678 10.379 ( 0.000 -2.737 0.000) 2.737 10.454 ( 0.000 2.009 0.000) 2.009 10.512 ( 0.000 -0.693 0.000) 0.693 10.515 ( 0.000 -0.602 0.000) 0.602 10.701 ( 0.000 -2.731 0.000) 2.731 10.892 ( 0.000 11.233 0.000) 11.233 11.469 ( 0.000 -17.676 0.000) 17.676 11.737 ( 0.000 -15.640 0.000) 15.640 12.739 ( 0.000 9.021 0.000) 9.021 12.749 ( 0.000 9.025 0.000) 9.025 13.041 ( 0.000 -1.520 0.000) 1.520 13.166 ( 0.000 -2.204 0.000) 2.204 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 6.410 18.724 0.000) 19.791 0.967 ( 5.861 21.267 0.000) 22.060 1.586 ( -12.025 7.142 0.000) 13.986 1.640 ( -10.886 -0.342 0.000) 10.892 1.851 ( 7.901 34.263 0.000) 35.162 1.874 ( 0.911 -6.893 0.000) 6.952 1.977 ( -2.684 -1.790 0.000) 3.226 2.053 ( 5.995 -5.906 0.000) 8.415 2.064 ( 2.858 -3.977 0.000) 4.897 2.284 ( -3.742 22.075 0.000) 22.390 2.465 ( 9.695 -6.584 0.000) 11.720 2.666 ( 3.132 -7.559 0.000) 8.182 2.725 ( 8.187 14.383 0.000) 16.550 2.773 ( 1.877 2.440 0.000) 3.079 3.061 ( -3.616 -0.449 0.000) 3.643 3.107 ( -2.121 8.162 0.000) 8.433 3.172 ( -3.058 -0.175 0.000) 3.063 3.194 ( -1.068 13.266 0.000) 13.309 3.338 ( -0.810 -0.634 0.000) 1.029 3.368 ( -3.227 9.040 0.000) 9.599 3.443 ( 1.245 -3.717 0.000) 3.920 3.452 ( -4.431 -0.847 0.000) 4.511 3.481 ( -3.606 1.500 0.000) 3.905 3.498 ( -1.105 -5.021 0.000) 5.141 3.697 ( 3.446 -0.058 0.000) 3.447 3.749 ( -4.002 -1.772 0.000) 4.376 3.783 ( 1.882 1.649 0.000) 2.502 3.794 ( 0.533 -4.122 0.000) 4.156 3.809 ( -4.022 3.275 0.000) 5.187 3.973 ( 0.320 3.680 0.000) 3.694 4.054 ( -3.412 7.349 0.000) 8.102 4.160 ( -2.581 -1.825 0.000) 3.161 4.270 ( 1.166 5.251 0.000) 5.379 4.361 ( -1.112 -3.875 0.000) 4.032 4.402 ( 2.283 -9.697 0.000) 9.962 4.416 ( 4.720 -1.259 0.000) 4.885 4.456 ( 1.805 -3.065 0.000) 3.557 4.509 ( 3.424 0.624 0.000) 3.480 4.530 ( 4.225 -5.050 0.000) 6.584 4.694 ( -1.919 -2.603 0.000) 3.234 4.794 ( -1.074 7.152 0.000) 7.232 4.825 ( -3.059 -4.661 0.000) 5.575 4.932 ( 0.845 4.204 0.000) 4.288 5.007 ( -1.618 -0.116 0.000) 1.622 5.052 ( -0.288 3.616 0.000) 3.627 5.125 ( -3.988 -2.257 0.000) 4.582 5.217 ( 2.122 -2.604 0.000) 3.359 5.252 ( 7.706 -6.023 0.000) 9.781 5.373 ( 7.517 -8.306 0.000) 11.202 5.375 ( -3.156 -6.612 0.000) 7.327 5.508 ( 1.722 -2.104 0.000) 2.719 5.667 ( -1.758 -2.663 0.000) 3.191 5.804 ( -4.035 -3.213 0.000) 5.158 5.824 ( -0.885 2.116 0.000) 2.293 5.907 ( 0.393 -4.629 0.000) 4.646 6.054 ( 1.046 -8.003 0.000) 8.071 6.281 ( -1.404 -0.662 0.000) 1.552 6.346 ( 0.382 -3.728 0.000) 3.747 6.356 ( -5.609 2.512 0.000) 6.145 6.460 ( -2.997 -1.332 0.000) 3.280 6.998 ( 0.608 9.239 0.000) 9.259 7.085 ( -3.086 -0.209 0.000) 3.093 7.200 ( 2.706 -5.912 0.000) 6.502 7.269 ( -3.101 1.699 0.000) 3.536 7.390 ( -0.348 6.008 0.000) 6.018 7.462 ( 4.096 -0.878 0.000) 4.189 7.643 ( -2.831 -5.747 0.000) 6.407 7.718 ( 0.043 -1.448 0.000) 1.448 8.146 ( 1.089 6.042 0.000) 6.140 8.199 ( -3.809 8.360 0.000) 9.186 8.364 ( 5.173 -2.342 0.000) 5.679 8.591 ( 2.002 -6.942 0.000) 7.225 8.966 ( 1.618 7.565 0.000) 7.736 9.184 ( -2.471 7.609 0.000) 8.000 9.352 ( 3.517 -3.980 0.000) 5.311 9.542 ( -0.685 1.948 0.000) 2.065 9.607 ( -1.997 6.863 0.000) 7.148 9.784 ( -5.085 4.930 0.000) 7.083 9.828 ( 1.894 -1.189 0.000) 2.236 9.975 ( 5.899 -1.727 0.000) 6.147 10.016 ( -1.657 2.022 0.000) 2.614 10.258 ( -1.608 -3.795 0.000) 4.122 10.279 ( -2.676 4.386 0.000) 5.138 10.308 ( -2.365 -1.439 0.000) 2.768 10.441 ( 1.443 0.023 0.000) 1.443 10.488 ( -1.592 -0.052 0.000) 1.593 10.491 ( 5.004 5.662 0.000) 7.557 10.519 ( 0.182 -0.834 0.000) 0.853 10.673 ( -2.459 -1.615 0.000) 2.942 10.860 ( -3.375 11.078 0.000) 11.580 11.509 ( 3.969 -17.680 0.000) 18.120 11.729 ( -1.233 -16.863 0.000) 16.908 12.737 ( -0.247 9.008 0.000) 9.011 12.740 ( -0.743 9.186 0.000) 9.216 13.054 ( 1.362 -1.600 0.000) 2.101 13.155 ( -1.169 -2.152 0.000) 2.449 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 10.105 10.775 0.000) 14.772 1.107 ( 8.359 15.551 0.000) 17.655 1.371 ( -9.704 11.452 0.000) 15.011 1.415 ( -12.294 5.013 0.000) 13.276 1.886 ( 0.437 -7.768 0.000) 7.780 1.904 ( -1.619 -2.287 0.000) 2.802 2.029 ( 5.734 15.227 0.000) 16.270 2.073 ( -0.618 3.662 0.000) 3.714 2.145 ( 5.231 0.533 0.000) 5.258 2.241 ( -3.360 12.269 0.000) 12.721 2.670 ( 11.187 -2.909 0.000) 11.559 2.741 ( 4.756 -2.144 0.000) 5.217 2.766 ( -0.511 4.092 0.000) 4.123 2.865 ( -1.609 3.007 0.000) 3.410 2.956 ( -0.912 6.419 0.000) 6.483 3.041 ( -5.027 13.770 0.000) 14.659 3.187 ( 0.923 5.357 0.000) 5.436 3.189 ( 3.274 7.207 0.000) 7.916 3.262 ( -5.190 0.882 0.000) 5.264 3.289 ( -5.002 8.144 0.000) 9.557 3.396 ( 0.413 -0.553 0.000) 0.690 3.433 ( -2.512 -2.316 0.000) 3.417 3.474 ( 0.782 1.353 0.000) 1.563 3.485 ( -0.121 -1.947 0.000) 1.951 3.671 ( -2.634 2.028 0.000) 3.325 3.677 ( -2.700 0.844 0.000) 2.829 3.775 ( -0.183 -4.288 0.000) 4.292 3.782 ( -0.340 -4.258 0.000) 4.271 3.903 ( 6.624 -1.613 0.000) 6.817 3.966 ( -1.074 3.445 0.000) 3.608 4.017 ( 0.290 5.668 0.000) 5.675 4.085 ( -5.337 0.226 0.000) 5.341 4.294 ( 1.255 -0.208 0.000) 1.272 4.322 ( -2.027 -1.829 0.000) 2.730 4.453 ( 2.641 -10.693 0.000) 11.014 4.476 ( 0.691 -5.618 0.000) 5.660 4.517 ( 4.689 1.437 0.000) 4.904 4.569 ( 0.763 -0.663 0.000) 1.011 4.608 ( 3.524 -4.734 0.000) 5.901 4.652 ( -2.156 -0.542 0.000) 2.223 4.773 ( -1.052 3.021 0.000) 3.199 4.775 ( -1.664 -1.790 0.000) 2.444 4.948 ( 0.444 2.882 0.000) 2.916 4.967 ( -2.050 1.131 0.000) 2.342 5.051 ( 0.540 1.832 0.000) 1.910 5.070 ( -1.711 -0.008 0.000) 1.711 5.264 ( 2.484 -3.560 0.000) 4.341 5.312 ( -3.077 -5.145 0.000) 5.995 5.411 ( 8.218 -2.490 0.000) 8.587 5.475 ( 2.493 -4.899 0.000) 5.496 5.550 ( 2.572 -2.624 0.000) 3.674 5.612 ( -3.915 -2.048 0.000) 4.418 5.736 ( -2.617 -3.838 0.000) 4.646 5.751 ( -4.788 -0.445 0.000) 4.809 5.962 ( 4.677 -3.389 0.000) 5.775 6.039 ( -2.904 -5.283 0.000) 6.028 6.287 ( 1.910 -0.778 0.000) 2.062 6.300 ( -0.400 0.405 0.000) 0.569 6.338 ( -0.701 -5.202 0.000) 5.249 6.380 ( -4.761 -4.307 0.000) 6.420 7.010 ( 0.786 7.734 0.000) 7.774 7.035 ( -2.074 4.177 0.000) 4.664 7.234 ( 0.657 -2.038 0.000) 2.142 7.238 ( -0.458 0.454 0.000) 0.644 7.417 ( 3.395 1.360 0.000) 3.657 7.486 ( -2.531 -1.267 0.000) 2.831 7.622 ( 2.043 -3.616 0.000) 4.154 7.683 ( -3.394 -2.530 0.000) 4.234 8.164 ( 0.650 8.108 0.000) 8.134 8.168 ( -0.160 9.965 0.000) 9.966 8.478 ( 6.604 -3.732 0.000) 7.585 8.579 ( -3.534 -6.023 0.000) 6.983 9.023 ( 4.558 8.308 0.000) 9.476 9.116 ( -4.866 8.021 0.000) 9.381 9.422 ( 3.814 -0.836 0.000) 3.905 9.493 ( -3.855 1.304 0.000) 4.070 9.615 ( 2.535 6.459 0.000) 6.939 9.686 ( -4.961 6.430 0.000) 8.121 9.876 ( 3.362 0.330 0.000) 3.378 9.949 ( -4.292 0.611 0.000) 4.335 10.109 ( 7.176 -1.244 0.000) 7.283 10.219 ( -4.420 -0.746 0.000) 4.482 10.246 ( 0.330 -3.052 0.000) 3.070 10.266 ( -1.893 -1.298 0.000) 2.295 10.456 ( 0.575 -0.199 0.000) 0.609 10.467 ( -0.731 -0.100 0.000) 0.737 10.529 ( 1.084 -1.392 0.000) 1.764 10.553 ( -0.368 -0.338 0.000) 0.500 10.671 ( 4.170 7.419 0.000) 8.511 10.774 ( -5.697 10.543 0.000) 11.984 11.597 ( 5.174 -17.825 0.000) 18.561 11.683 ( -3.807 -17.832 0.000) 18.234 12.731 ( -0.205 9.132 0.000) 9.134 12.732 ( -0.241 9.018 0.000) 9.021 13.087 ( 2.100 -1.794 0.000) 2.762 13.125 ( -1.981 -2.004 0.000) 2.818 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 21.231 0.000) 21.231 1.356 ( 0.000 22.209 0.000) 22.209 1.688 ( 0.000 -17.485 0.000) 17.485 1.742 ( 0.000 -14.376 0.000) 14.376 1.752 ( 0.000 0.343 0.000) 0.343 1.794 ( 0.000 -6.703 0.000) 6.703 1.899 ( 0.000 8.542 0.000) 8.542 2.057 ( 0.000 -6.294 0.000) 6.294 2.156 ( 0.000 7.245 0.000) 7.245 2.287 ( 0.000 -4.216 0.000) 4.216 2.717 ( 0.000 24.889 0.000) 24.889 2.797 ( 0.000 17.556 0.000) 17.556 2.831 ( 0.000 8.288 0.000) 8.288 2.858 ( 0.000 5.855 0.000) 5.855 3.054 ( 0.000 -8.144 0.000) 8.144 3.186 ( 0.000 -14.715 0.000) 14.715 3.193 ( 0.000 1.681 0.000) 1.681 3.251 ( 0.000 2.083 0.000) 2.083 3.262 ( 0.000 -4.697 0.000) 4.697 3.368 ( 0.000 -5.402 0.000) 5.402 3.439 ( 0.000 -0.242 0.000) 0.242 3.470 ( 0.000 7.626 0.000) 7.626 3.491 ( 0.000 -4.823 0.000) 4.823 3.634 ( 0.000 -8.671 0.000) 8.671 3.662 ( 0.000 2.799 0.000) 2.799 3.694 ( 0.000 16.495 0.000) 16.495 3.730 ( 0.000 -3.726 0.000) 3.726 3.924 ( 0.000 10.602 0.000) 10.602 3.947 ( 0.000 -9.170 0.000) 9.170 4.067 ( 0.000 7.642 0.000) 7.642 4.081 ( 0.000 1.596 0.000) 1.596 4.129 ( 0.000 -8.637 0.000) 8.637 4.283 ( 0.000 -3.528 0.000) 3.528 4.309 ( 0.000 -0.756 0.000) 0.756 4.342 ( 0.000 1.851 0.000) 1.851 4.342 ( 0.000 0.810 0.000) 0.810 4.443 ( 0.000 0.291 0.000) 0.291 4.451 ( 0.000 4.541 0.000) 4.541 4.471 ( 0.000 -1.249 0.000) 1.249 4.530 ( 0.000 -9.080 0.000) 9.080 4.775 ( 0.000 -1.262 0.000) 1.262 4.877 ( 0.000 -8.921 0.000) 8.921 5.046 ( 0.000 2.859 0.000) 2.859 5.078 ( 0.000 12.460 0.000) 12.460 5.094 ( 0.000 3.958 0.000) 3.958 5.127 ( 0.000 -5.180 0.000) 5.180 5.151 ( 0.000 -2.147 0.000) 2.147 5.164 ( 0.000 1.956 0.000) 1.956 5.187 ( 0.000 -1.625 0.000) 1.625 5.341 ( 0.000 7.185 0.000) 7.185 5.366 ( 0.000 -10.699 0.000) 10.699 5.556 ( 0.000 -10.464 0.000) 10.464 5.830 ( 0.000 0.372 0.000) 0.372 5.842 ( 0.000 -1.158 0.000) 1.158 5.842 ( 0.000 -0.182 0.000) 0.182 5.878 ( 0.000 -5.249 0.000) 5.249 6.293 ( 0.000 -0.684 0.000) 0.684 6.295 ( 0.000 -0.717 0.000) 0.717 6.468 ( 0.000 1.398 0.000) 1.398 6.487 ( 0.000 -0.238 0.000) 0.238 7.080 ( 0.000 -1.319 0.000) 1.319 7.084 ( 0.000 -2.010 0.000) 2.010 7.166 ( 0.000 8.330 0.000) 8.330 7.306 ( 0.000 -6.039 0.000) 6.039 7.429 ( 0.000 6.036 0.000) 6.036 7.539 ( 0.000 7.194 0.000) 7.194 7.551 ( 0.000 -6.457 0.000) 6.457 7.660 ( 0.000 -4.768 0.000) 4.768 8.219 ( 0.000 3.539 0.000) 3.539 8.273 ( 0.000 -2.218 0.000) 2.218 8.350 ( 0.000 4.926 0.000) 4.926 8.447 ( 0.000 -5.114 0.000) 5.114 9.087 ( 0.000 6.481 0.000) 6.481 9.204 ( 0.000 -5.733 0.000) 5.733 9.389 ( 0.000 10.067 0.000) 10.067 9.540 ( 0.000 -4.045 0.000) 4.045 9.726 ( 0.000 2.136 0.000) 2.136 9.753 ( 0.000 -1.989 0.000) 1.989 9.885 ( 0.000 1.417 0.000) 1.417 9.904 ( 0.000 -0.651 0.000) 0.651 10.084 ( 0.000 4.179 0.000) 4.179 10.180 ( 0.000 -5.365 0.000) 5.365 10.310 ( 0.000 -0.274 0.000) 0.274 10.327 ( 0.000 -2.039 0.000) 2.039 10.504 ( 0.000 -0.151 0.000) 0.151 10.506 ( 0.000 -0.334 0.000) 0.334 10.510 ( 0.000 3.420 0.000) 3.420 10.556 ( 0.000 1.845 0.000) 1.845 10.735 ( 0.000 13.112 0.000) 13.112 11.093 ( 0.000 -20.296 0.000) 20.296 11.142 ( 0.000 14.273 0.000) 14.273 11.433 ( 0.000 -15.615 0.000) 15.615 12.898 ( 0.000 6.278 0.000) 6.278 12.927 ( 0.000 9.610 0.000) 9.610 12.993 ( 0.000 -3.579 0.000) 3.579 13.085 ( 0.000 -6.319 0.000) 6.319 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.655 19.037 0.000) 19.048 1.369 ( 1.383 19.403 0.000) 19.452 1.623 ( -6.957 -3.916 0.000) 7.983 1.631 ( -4.967 -10.327 0.000) 11.459 1.763 ( -0.866 -2.607 0.000) 2.747 1.853 ( -4.913 2.678 0.000) 5.595 1.866 ( 4.132 -12.203 0.000) 12.884 1.987 ( -3.046 -6.374 0.000) 7.065 2.265 ( 7.407 8.279 0.000) 11.109 2.379 ( 9.118 -4.860 0.000) 10.333 2.659 ( -7.284 15.651 0.000) 17.263 2.798 ( 7.718 22.602 0.000) 23.883 2.855 ( -1.329 -0.599 0.000) 1.457 2.946 ( 1.889 5.622 0.000) 5.931 3.018 ( 1.585 -0.304 0.000) 1.614 3.201 ( 0.937 -8.286 0.000) 8.339 3.226 ( 3.763 4.059 0.000) 5.535 3.247 ( -0.532 -0.407 0.000) 0.670 3.285 ( 0.504 -3.164 0.000) 3.203 3.358 ( -0.751 -5.767 0.000) 5.816 3.449 ( 0.927 1.996 0.000) 2.201 3.470 ( -0.012 6.143 0.000) 6.143 3.510 ( -0.224 -0.584 0.000) 0.625 3.589 ( -4.695 -0.924 0.000) 4.785 3.648 ( 1.723 -2.031 0.000) 2.664 3.680 ( -1.655 8.955 0.000) 9.106 3.690 ( -3.180 -4.730 0.000) 5.699 3.918 ( -1.758 -11.171 0.000) 11.308 3.937 ( 0.394 10.661 0.000) 10.668 3.979 ( -4.861 10.685 0.000) 11.738 4.125 ( 0.738 1.025 0.000) 1.263 4.137 ( 0.810 -6.852 0.000) 6.899 4.243 ( -3.599 -5.551 0.000) 6.616 4.250 ( -7.018 4.818 0.000) 8.513 4.287 ( -2.201 -3.971 0.000) 4.540 4.364 ( 0.408 -3.555 0.000) 3.578 4.454 ( 2.370 -0.835 0.000) 2.513 4.477 ( 0.785 -2.991 0.000) 3.092 4.503 ( 3.141 0.101 0.000) 3.142 4.567 ( 2.333 -6.871 0.000) 7.256 4.794 ( 3.459 5.237 0.000) 6.276 4.941 ( 4.943 -6.281 0.000) 7.993 5.025 ( -3.331 10.491 0.000) 11.007 5.037 ( -1.055 2.728 0.000) 2.924 5.087 ( -0.765 3.952 0.000) 4.026 5.096 ( -1.659 -0.415 0.000) 1.710 5.166 ( 0.981 -3.375 0.000) 3.514 5.198 ( 0.566 -5.610 0.000) 5.638 5.264 ( 7.392 -0.326 0.000) 7.400 5.350 ( 1.690 8.282 0.000) 8.453 5.393 ( 2.688 -9.373 0.000) 9.750 5.546 ( -1.123 -9.531 0.000) 9.597 5.797 ( -2.716 2.532 0.000) 3.713 5.831 ( -1.173 0.401 0.000) 1.240 5.856 ( 1.286 -1.567 0.000) 2.027 5.893 ( 0.846 -7.263 0.000) 7.312 6.275 ( -1.169 0.324 0.000) 1.213 6.296 ( -0.511 -1.757 0.000) 1.830 6.397 ( -6.183 2.096 0.000) 6.529 6.435 ( -5.366 -1.612 0.000) 5.603 7.083 ( 0.589 0.455 0.000) 0.744 7.114 ( 2.870 -2.888 0.000) 4.071 7.166 ( -0.267 7.654 0.000) 7.659 7.272 ( -2.651 -2.615 0.000) 3.724 7.460 ( 2.463 1.868 0.000) 3.091 7.521 ( -1.561 7.134 0.000) 7.303 7.535 ( -1.257 -5.167 0.000) 5.317 7.648 ( -1.508 -5.477 0.000) 5.680 8.247 ( 2.762 4.336 0.000) 5.141 8.315 ( 4.112 -2.828 0.000) 4.991 8.345 ( -0.209 6.843 0.000) 6.846 8.468 ( 1.289 -6.042 0.000) 6.178 9.117 ( 3.280 7.704 0.000) 8.373 9.254 ( 4.850 -6.195 0.000) 7.868 9.365 ( -2.542 9.877 0.000) 10.199 9.520 ( -2.418 -4.985 0.000) 5.540 9.714 ( 0.123 4.626 0.000) 4.628 9.788 ( 2.710 -2.938 0.000) 3.997 9.861 ( -2.401 3.370 0.000) 4.138 9.922 ( 1.032 -3.050 0.000) 3.220 10.080 ( 0.033 4.139 0.000) 4.139 10.170 ( -0.591 -4.930 0.000) 4.965 10.283 ( -3.083 -0.352 0.000) 3.103 10.295 ( -3.084 -1.252 0.000) 3.329 10.484 ( -1.399 3.433 0.000) 3.707 10.491 ( -1.007 0.407 0.000) 1.086 10.503 ( -0.329 -0.773 0.000) 0.840 10.549 ( -1.560 -2.400 0.000) 2.862 10.789 ( 5.396 15.229 0.000) 16.157 11.110 ( -3.351 14.446 0.000) 14.830 11.140 ( 4.558 -19.574 0.000) 20.098 11.409 ( -2.653 -16.178 0.000) 16.395 12.897 ( 0.018 6.845 0.000) 6.845 12.922 ( -0.471 9.419 0.000) 9.431 13.002 ( 0.942 -3.939 0.000) 4.050 13.077 ( -0.910 -6.128 0.000) 6.195 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 3.155 13.288 0.000) 13.657 1.390 ( -0.258 12.386 0.000) 12.389 1.520 ( -2.919 2.470 0.000) 3.824 1.543 ( -4.025 -0.628 0.000) 4.074 1.746 ( -0.490 -1.453 0.000) 1.534 1.768 ( -3.217 0.304 0.000) 3.232 1.919 ( 1.912 -13.211 0.000) 13.349 1.949 ( -1.588 -11.467 0.000) 11.576 2.405 ( 7.695 11.447 0.000) 13.793 2.537 ( -6.580 13.848 0.000) 15.332 2.571 ( 10.837 -6.738 0.000) 12.761 2.755 ( -8.660 -8.863 0.000) 12.392 2.938 ( 5.569 17.729 0.000) 18.583 2.965 ( 1.560 12.301 0.000) 12.399 3.109 ( 5.556 0.618 0.000) 5.590 3.200 ( -3.049 -5.999 0.000) 6.729 3.222 ( 0.215 6.692 0.000) 6.696 3.264 ( -2.478 1.156 0.000) 2.735 3.306 ( 3.935 0.010 0.000) 3.935 3.350 ( -0.733 -5.718 0.000) 5.765 3.424 ( -1.830 5.942 0.000) 6.218 3.453 ( -3.306 2.983 0.000) 4.452 3.517 ( 0.222 -1.391 0.000) 1.408 3.541 ( 3.589 0.288 0.000) 3.600 3.592 ( -3.954 1.573 0.000) 4.255 3.633 ( -3.395 9.540 0.000) 10.126 3.784 ( 8.178 -7.434 0.000) 11.052 3.898 ( -3.697 -6.741 0.000) 7.688 3.905 ( -0.908 7.383 0.000) 7.439 3.919 ( -1.914 10.421 0.000) 10.595 4.121 ( -0.246 0.908 0.000) 0.941 4.144 ( -2.115 7.266 0.000) 7.568 4.159 ( -0.201 -11.495 0.000) 11.497 4.181 ( -2.258 -8.063 0.000) 8.373 4.260 ( 0.101 -6.770 0.000) 6.770 4.309 ( -4.627 -9.996 0.000) 11.015 4.510 ( 3.259 -1.199 0.000) 3.473 4.525 ( 3.508 -2.906 0.000) 4.555 4.542 ( 0.268 -0.632 0.000) 0.687 4.577 ( -1.466 -4.430 0.000) 4.666 4.882 ( 5.120 10.120 0.000) 11.342 4.962 ( -3.614 10.624 0.000) 11.222 5.019 ( 3.095 -0.484 0.000) 3.132 5.034 ( 0.688 5.178 0.000) 5.224 5.065 ( -1.484 2.718 0.000) 3.096 5.066 ( -1.577 -0.903 0.000) 1.817 5.180 ( 0.468 -5.939 0.000) 5.958 5.192 ( -0.892 -7.476 0.000) 7.529 5.391 ( 5.232 -1.626 0.000) 5.478 5.406 ( 2.981 2.835 0.000) 4.114 5.449 ( 3.030 -6.694 0.000) 7.348 5.510 ( -2.982 -6.997 0.000) 7.606 5.758 ( -0.657 5.435 0.000) 5.475 5.788 ( -3.151 4.213 0.000) 5.261 5.884 ( 1.468 -4.920 0.000) 5.135 5.900 ( -0.148 -8.311 0.000) 8.312 6.267 ( 0.772 -0.131 0.000) 0.783 6.283 ( -0.345 -1.553 0.000) 1.590 6.300 ( -3.282 0.550 0.000) 3.328 6.326 ( -5.201 -1.892 0.000) 5.534 7.106 ( 1.827 3.513 0.000) 3.960 7.144 ( -2.033 5.942 0.000) 6.280 7.175 ( 3.393 -3.565 0.000) 4.922 7.228 ( -2.354 -2.313 0.000) 3.300 7.482 ( 0.003 1.702 0.000) 1.702 7.493 ( -1.269 5.558 0.000) 5.702 7.546 ( 2.747 -4.133 0.000) 4.963 7.604 ( -3.085 -5.353 0.000) 6.178 8.303 ( 2.836 6.099 0.000) 6.726 8.339 ( -0.921 7.571 0.000) 7.627 8.402 ( 4.703 -4.298 0.000) 6.371 8.466 ( -1.855 -5.885 0.000) 6.171 9.200 ( 5.369 9.324 0.000) 10.759 9.297 ( -4.740 9.679 0.000) 10.778 9.355 ( 5.635 -6.049 0.000) 8.267 9.452 ( -4.711 -5.474 0.000) 7.222 9.742 ( 2.719 6.393 0.000) 6.947 9.803 ( -3.590 5.853 0.000) 6.867 9.845 ( 3.493 -3.744 0.000) 5.121 9.908 ( -2.723 -4.563 0.000) 5.313 10.116 ( 4.072 2.153 0.000) 4.606 10.177 ( 1.583 -3.736 0.000) 4.057 10.205 ( -4.930 0.006 0.000) 4.930 10.228 ( -3.755 -2.080 0.000) 4.292 10.471 ( -0.133 1.762 0.000) 1.767 10.475 ( -0.589 0.953 0.000) 1.121 10.500 ( 0.213 -1.497 0.000) 1.512 10.515 ( -1.510 -2.572 0.000) 2.983 10.906 ( 6.798 15.450 0.000) 16.880 11.024 ( -5.784 14.911 0.000) 15.994 11.239 ( 5.772 -18.449 0.000) 19.331 11.339 ( -4.798 -17.324 0.000) 17.976 12.901 ( 0.407 7.934 0.000) 7.944 12.911 ( -0.654 8.852 0.000) 8.876 13.025 ( 1.523 -4.756 0.000) 4.994 13.054 ( -1.501 -5.576 0.000) 5.774 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 0.000 20.084) 20.084 0.443 ( 0.000 0.000 23.188) 23.188 0.684 ( 0.000 0.000 35.572) 35.572 1.638 ( 0.000 0.000 2.996) 2.996 1.648 ( 0.000 0.000 1.915) 1.915 1.804 ( 0.000 0.000 -5.668) 5.668 1.851 ( 0.000 0.000 1.321) 1.321 1.961 ( 0.000 0.000 2.964) 2.964 2.045 ( 0.000 0.000 2.850) 2.850 2.146 ( 0.000 0.000 4.311) 4.311 2.238 ( 0.000 0.000 -0.536) 0.536 2.645 ( 0.000 0.000 -4.403) 4.403 2.701 ( 0.000 0.000 -4.178) 4.178 2.969 ( 0.000 0.000 -3.100) 3.100 3.032 ( 0.000 0.000 -4.797) 4.797 3.036 ( 0.000 0.000 1.872) 1.872 3.049 ( 0.000 0.000 1.502) 1.502 3.174 ( 0.000 0.000 4.275) 4.275 3.204 ( 0.000 0.000 1.842) 1.842 3.413 ( 0.000 0.000 -4.539) 4.539 3.456 ( 0.000 0.000 -2.002) 2.002 3.527 ( 0.000 0.000 -1.357) 1.357 3.539 ( 0.000 0.000 -7.236) 7.236 3.631 ( 0.000 0.000 4.810) 4.810 3.681 ( 0.000 0.000 1.622) 1.622 3.689 ( 0.000 0.000 -0.747) 0.747 3.736 ( 0.000 0.000 -0.619) 0.619 3.817 ( 0.000 0.000 -9.231) 9.231 3.827 ( 0.000 0.000 -5.662) 5.662 3.908 ( 0.000 0.000 -0.826) 0.826 3.915 ( 0.000 0.000 -0.027) 0.027 3.967 ( 0.000 0.000 0.158) 0.158 4.117 ( 0.000 0.000 -0.970) 0.970 4.176 ( 0.000 0.000 0.931) 0.931 4.417 ( 0.000 0.000 -2.877) 2.877 4.418 ( 0.000 0.000 0.985) 0.985 4.503 ( 0.000 0.000 1.063) 1.063 4.633 ( 0.000 0.000 7.012) 7.012 4.686 ( 0.000 0.000 0.571) 0.571 4.758 ( 0.000 0.000 -4.251) 4.251 4.786 ( 0.000 0.000 3.544) 3.544 4.805 ( 0.000 0.000 -6.053) 6.053 4.869 ( 0.000 0.000 -4.579) 4.579 5.041 ( 0.000 0.000 -0.692) 0.692 5.240 ( 0.000 0.000 0.740) 0.740 5.255 ( 0.000 0.000 5.039) 5.039 5.307 ( 0.000 0.000 -1.513) 1.513 5.358 ( 0.000 0.000 -3.309) 3.309 5.460 ( 0.000 0.000 0.317) 0.317 5.553 ( 0.000 0.000 -6.383) 6.383 5.602 ( 0.000 0.000 2.166) 2.166 5.656 ( 0.000 0.000 1.101) 1.101 5.731 ( 0.000 0.000 1.722) 1.722 5.946 ( 0.000 0.000 0.506) 0.506 6.005 ( 0.000 0.000 2.858) 2.858 6.067 ( 0.000 0.000 -1.559) 1.559 6.211 ( 0.000 0.000 0.496) 0.496 6.233 ( 0.000 0.000 -5.540) 5.540 6.393 ( 0.000 0.000 -0.149) 0.149 6.459 ( 0.000 0.000 0.269) 0.269 6.680 ( 0.000 0.000 -6.209) 6.209 6.944 ( 0.000 0.000 4.672) 4.672 7.194 ( 0.000 0.000 -2.371) 2.371 7.252 ( 0.000 0.000 -11.387) 11.387 7.521 ( 0.000 0.000 3.543) 3.543 7.543 ( 0.000 0.000 -1.575) 1.575 7.549 ( 0.000 0.000 1.214) 1.214 7.831 ( 0.000 0.000 -3.575) 3.575 7.864 ( 0.000 0.000 5.294) 5.294 7.991 ( 0.000 0.000 4.318) 4.318 8.653 ( 0.000 0.000 -4.641) 4.641 8.746 ( 0.000 0.000 -1.795) 1.795 8.865 ( 0.000 0.000 1.754) 1.754 9.209 ( 0.000 0.000 0.462) 0.462 9.293 ( 0.000 0.000 0.861) 0.861 9.297 ( 0.000 0.000 0.780) 0.780 9.466 ( 0.000 0.000 0.295) 0.295 9.515 ( 0.000 0.000 0.237) 0.237 9.650 ( 0.000 0.000 -1.114) 1.114 9.836 ( 0.000 0.000 -1.500) 1.500 9.892 ( 0.000 0.000 -0.077) 0.077 9.979 ( 0.000 0.000 -4.293) 4.293 10.036 ( 0.000 0.000 1.117) 1.117 10.334 ( 0.000 0.000 -3.136) 3.136 10.445 ( 0.000 0.000 4.386) 4.386 10.466 ( 0.000 0.000 -0.858) 0.858 10.568 ( 0.000 0.000 3.697) 3.697 10.588 ( 0.000 0.000 3.928) 3.928 10.623 ( 0.000 0.000 -2.453) 2.453 10.977 ( 0.000 0.000 19.022) 19.022 11.756 ( 0.000 0.000 -8.042) 8.042 12.285 ( 0.000 0.000 1.215) 1.215 12.560 ( 0.000 0.000 0.519) 0.519 12.798 ( 0.000 0.000 -2.521) 2.521 13.071 ( 0.000 0.000 1.048) 1.048 13.217 ( 0.000 0.000 -0.259) 0.259 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 14.449 0.000 16.205) 21.711 0.603 ( 14.960 0.000 16.575) 22.328 0.891 ( 21.736 0.000 22.845) 31.533 1.473 ( -14.536 0.000 3.801) 15.025 1.522 ( -12.207 0.000 3.268) 12.637 1.804 ( -1.203 0.000 -1.978) 2.315 1.864 ( 1.378 0.000 1.365) 1.940 1.953 ( -0.883 0.000 2.706) 2.846 2.098 ( 5.743 0.000 1.696) 5.988 2.260 ( 8.311 0.000 2.954) 8.820 2.312 ( 6.613 0.000 -1.531) 6.788 2.620 ( -2.718 0.000 -4.249) 5.044 2.689 ( -0.271 0.000 -5.731) 5.737 2.982 ( 1.140 0.000 -2.051) 2.346 3.011 ( -2.334 0.000 -5.398) 5.881 3.034 ( 0.268 0.000 1.679) 1.700 3.065 ( 1.102 0.000 2.177) 2.440 3.167 ( -0.712 0.000 3.569) 3.640 3.200 ( -0.590 0.000 2.376) 2.448 3.228 ( -10.562 0.000 -2.426) 10.837 3.423 ( -2.606 0.000 -1.818) 3.178 3.479 ( -9.300 0.000 1.244) 9.383 3.481 ( -3.729 0.000 -0.294) 3.741 3.579 ( -4.583 0.000 -6.625) 8.055 3.638 ( 1.523 0.000 -1.599) 2.209 3.746 ( 0.473 0.000 1.085) 1.184 3.757 ( 5.319 0.000 -2.702) 5.966 3.818 ( -0.184 0.000 -3.545) 3.550 3.898 ( 4.502 0.000 -3.621) 5.777 3.899 ( -0.984 0.000 1.299) 1.629 3.938 ( 1.687 0.000 -4.095) 4.429 4.060 ( 2.956 0.000 3.097) 4.281 4.089 ( -1.642 0.000 -0.687) 1.780 4.165 ( -1.611 0.000 1.168) 1.989 4.459 ( 3.721 0.000 -1.547) 4.030 4.474 ( 5.269 0.000 -2.893) 6.011 4.492 ( 2.301 0.000 1.713) 2.869 4.642 ( -1.819 0.000 1.258) 2.211 4.652 ( -1.577 0.000 2.349) 2.830 4.708 ( -2.914 0.000 -1.614) 3.331 4.768 ( -1.247 0.000 -0.416) 1.315 4.826 ( -1.456 0.000 -1.926) 2.414 4.859 ( 5.328 0.000 0.553) 5.357 5.060 ( -2.678 0.000 -1.230) 2.947 5.176 ( -3.607 0.000 -0.418) 3.631 5.197 ( -5.095 0.000 2.205) 5.551 5.326 ( 2.101 0.000 -6.260) 6.603 5.405 ( 3.983 0.000 -0.439) 4.007 5.503 ( -5.053 0.000 3.731) 6.281 5.509 ( 2.278 0.000 -3.478) 4.158 5.636 ( -2.276 0.000 1.475) 2.713 5.743 ( 1.478 0.000 1.534) 2.131 5.744 ( 8.342 0.000 -0.609) 8.364 5.913 ( -2.119 0.000 -4.166) 4.674 5.920 ( -2.659 0.000 0.805) 2.778 6.087 ( 2.049 0.000 -1.608) 2.605 6.204 ( -2.718 0.000 -5.202) 5.869 6.207 ( -0.568 0.000 -0.071) 0.572 6.442 ( 4.034 0.000 -3.841) 5.571 6.553 ( 4.191 0.000 -2.848) 5.067 6.684 ( 0.651 0.000 -4.958) 5.001 6.888 ( -5.119 0.000 2.854) 5.861 7.218 ( 2.431 0.000 -1.251) 2.734 7.298 ( 4.187 0.000 -9.469) 10.354 7.381 ( -4.729 0.000 6.415) 7.970 7.523 ( -2.605 0.000 -0.529) 2.658 7.669 ( 3.805 0.000 0.706) 3.869 7.812 ( -2.580 0.000 -1.635) 3.055 7.886 ( 2.175 0.000 5.779) 6.174 7.987 ( -0.462 0.000 4.725) 4.747 8.438 ( -3.150 0.000 0.721) 3.232 8.830 ( -6.021 0.000 -6.455) 8.827 8.861 ( 4.169 0.000 1.259) 4.355 9.172 ( -4.298 0.000 0.554) 4.334 9.292 ( -0.005 0.000 0.847) 0.847 9.297 ( -0.029 0.000 0.880) 0.880 9.472 ( 0.594 0.000 0.212) 0.631 9.512 ( -0.391 0.000 0.197) 0.438 9.819 ( -0.632 0.000 -0.807) 1.025 9.915 ( 3.729 0.000 -4.005) 5.472 9.953 ( 8.681 0.000 -4.699) 9.871 10.038 ( 6.032 0.000 -4.366) 7.446 10.111 ( 10.036 0.000 -4.737) 11.098 10.334 ( -0.228 0.000 -3.919) 3.925 10.407 ( -3.001 0.000 2.483) 3.895 10.480 ( 1.501 0.000 -1.005) 1.807 10.555 ( -2.245 0.000 3.602) 4.245 10.593 ( 1.881 0.000 5.763) 6.062 10.607 ( -1.640 0.000 -2.298) 2.823 10.911 ( -6.184 0.000 16.087) 17.235 11.833 ( 7.326 0.000 -5.709) 9.288 12.262 ( -3.232 0.000 1.380) 3.514 12.556 ( -0.325 0.000 0.614) 0.695 12.648 ( -9.061 0.000 5.530) 10.615 13.083 ( 1.281 0.000 1.007) 1.629 13.188 ( -1.913 0.000 0.993) 2.155 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 15.372 0.000 12.929) 20.086 0.919 ( 18.200 0.000 9.924) 20.730 1.152 ( -13.807 0.000 8.137) 16.026 1.247 ( -16.995 0.000 5.981) 18.016 1.368 ( 20.876 0.000 8.901) 22.695 1.697 ( -11.894 0.000 2.361) 12.126 1.896 ( 1.909 0.000 1.614) 2.499 1.929 ( -1.603 0.000 2.143) 2.676 2.226 ( 7.308 0.000 0.675) 7.339 2.327 ( -2.147 0.000 1.368) 2.546 2.439 ( 6.706 0.000 -2.932) 7.319 2.548 ( -5.001 0.000 -3.811) 6.288 2.754 ( 7.971 0.000 -8.024) 11.311 2.922 ( -8.055 0.000 -8.289) 11.558 3.009 ( 2.104 0.000 0.108) 2.107 3.050 ( 1.412 0.000 2.070) 2.506 3.073 ( -0.570 0.000 2.416) 2.482 3.077 ( -5.813 0.000 -0.355) 5.824 3.160 ( 0.404 0.000 3.009) 3.036 3.181 ( -1.427 0.000 2.856) 3.192 3.381 ( 0.175 0.000 -0.673) 0.695 3.394 ( -0.169 0.000 -1.078) 1.091 3.418 ( -2.657 0.000 -0.271) 2.671 3.460 ( -6.803 0.000 -3.806) 7.795 3.687 ( 2.862 0.000 -2.871) 4.054 3.733 ( -1.856 0.000 -0.990) 2.104 3.810 ( 1.305 0.000 -2.375) 2.710 3.836 ( -0.615 0.000 -2.209) 2.293 3.904 ( 3.142 0.000 -1.494) 3.479 3.952 ( -0.857 0.000 -5.304) 5.372 3.977 ( 4.159 0.000 1.536) 4.434 4.046 ( -3.052 0.000 5.504) 6.294 4.082 ( 0.963 0.000 0.671) 1.174 4.120 ( -2.813 0.000 1.350) 3.120 4.544 ( 3.708 0.000 -2.713) 4.595 4.564 ( 3.011 0.000 -1.413) 3.326 4.575 ( 5.108 0.000 -2.702) 5.779 4.594 ( -0.534 0.000 -1.113) 1.234 4.623 ( -1.217 0.000 -2.317) 2.617 4.652 ( -3.421 0.000 -2.108) 4.018 4.770 ( -0.090 0.000 -0.337) 0.349 4.807 ( -1.667 0.000 0.386) 1.711 4.968 ( 6.428 0.000 0.318) 6.436 5.005 ( 0.107 0.000 -0.624) 0.633 5.083 ( -5.961 0.000 2.371) 6.415 5.089 ( -6.455 0.000 0.703) 6.493 5.378 ( 2.319 0.000 -6.057) 6.485 5.415 ( -2.511 0.000 -2.957) 3.879 5.487 ( 4.793 0.000 1.170) 4.934 5.574 ( -4.328 0.000 1.662) 4.636 5.595 ( 5.691 0.000 2.468) 6.204 5.711 ( -6.295 0.000 5.641) 8.452 5.788 ( 3.329 0.000 1.471) 3.639 5.857 ( -3.905 0.000 1.268) 4.105 6.021 ( 7.944 0.000 -10.943) 13.522 6.135 ( 2.928 0.000 -1.574) 3.324 6.137 ( -4.767 0.000 -6.855) 8.349 6.183 ( -2.069 0.000 -1.081) 2.334 6.519 ( 3.929 0.000 -3.628) 5.348 6.572 ( -1.403 0.000 -3.157) 3.455 6.714 ( 2.827 0.000 -2.161) 3.558 6.788 ( -5.128 0.000 0.510) 5.153 7.273 ( 3.193 0.000 1.609) 3.575 7.325 ( -2.438 0.000 4.805) 5.388 7.382 ( 4.597 0.000 -6.855) 8.254 7.461 ( -3.960 0.000 -3.852) 5.524 7.711 ( 1.745 0.000 1.652) 2.403 7.753 ( -3.032 0.000 0.532) 3.078 7.932 ( 2.492 0.000 6.074) 6.565 7.970 ( -1.521 0.000 5.556) 5.760 8.505 ( 7.837 0.000 -5.437) 9.538 8.674 ( -9.712 0.000 -7.221) 12.102 8.953 ( 5.872 0.000 2.935) 6.565 9.069 ( -6.408 0.000 1.744) 6.641 9.293 ( 0.096 0.000 0.903) 0.908 9.295 ( -0.118 0.000 0.952) 0.959 9.486 ( 0.864 0.000 0.105) 0.870 9.501 ( -0.736 0.000 0.117) 0.746 9.833 ( 2.211 0.000 -0.187) 2.219 9.889 ( -3.267 0.000 -0.228) 3.275 10.096 ( 7.293 0.000 -2.341) 7.660 10.153 ( 5.167 0.000 -3.856) 6.447 10.203 ( -0.870 0.000 -3.659) 3.761 10.272 ( -5.812 0.000 -1.763) 6.073 10.434 ( 4.567 0.000 -1.603) 4.840 10.504 ( -3.152 0.000 2.509) 4.029 10.518 ( 2.509 0.000 -1.398) 2.872 10.567 ( -2.595 0.000 -1.893) 3.212 10.660 ( 5.453 0.000 7.531) 9.298 10.782 ( -7.320 0.000 11.088) 13.286 11.991 ( 9.259 0.000 -1.622) 9.400 12.154 ( -8.004 0.000 1.237) 8.099 12.550 ( -0.252 0.000 1.073) 1.102 12.558 ( -1.664 0.000 2.786) 3.245 13.115 ( 2.000 0.000 0.919) 2.201 13.153 ( -2.024 0.000 0.886) 2.209 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 16.933 12.891) 21.281 0.593 ( 0.000 15.670 14.742) 21.515 1.155 ( 0.000 36.676 20.661) 42.095 1.662 ( 0.000 3.126 1.906) 3.661 1.773 ( 0.000 -1.913 -3.587) 4.065 1.881 ( 0.000 18.543 1.973) 18.648 1.903 ( 0.000 6.747 1.049) 6.828 1.993 ( 0.000 -2.860 2.931) 4.096 2.032 ( 0.000 4.626 3.792) 5.981 2.112 ( 0.000 -3.312 4.116) 5.283 2.348 ( 0.000 9.936 -0.947) 9.981 2.580 ( 0.000 -10.583 -3.164) 11.045 2.780 ( 0.000 8.744 -4.499) 9.833 2.847 ( 0.000 -8.860 -2.484) 9.201 2.877 ( 0.000 -7.546 -3.432) 8.289 3.078 ( 0.000 2.180 2.129) 3.047 3.080 ( 0.000 3.523 3.528) 4.985 3.242 ( 0.000 3.910 1.394) 4.151 3.251 ( 0.000 3.276 -1.801) 3.739 3.367 ( 0.000 -5.571 0.465) 5.591 3.438 ( 0.000 1.892 -1.974) 2.734 3.512 ( 0.000 -1.531 -1.094) 1.882 3.537 ( 0.000 0.663 -4.979) 5.022 3.631 ( 0.000 -4.047 2.314) 4.662 3.672 ( 0.000 -0.239 0.111) 0.264 3.675 ( 0.000 -1.158 -0.542) 1.278 3.690 ( 0.000 5.762 3.243) 6.612 3.748 ( 0.000 -4.301 -9.795) 10.698 3.892 ( 0.000 0.341 -0.491) 0.597 3.950 ( 0.000 2.197 -0.378) 2.229 3.970 ( 0.000 4.127 -4.251) 5.925 3.983 ( 0.000 5.578 1.214) 5.709 4.205 ( 0.000 3.155 1.663) 3.567 4.270 ( 0.000 9.381 -8.412) 12.600 4.389 ( 0.000 -2.373 -0.843) 2.518 4.420 ( 0.000 -0.816 -0.903) 1.217 4.468 ( 0.000 -2.254 1.688) 2.816 4.600 ( 0.000 -3.272 5.235) 6.173 4.635 ( 0.000 -5.446 -0.578) 5.477 4.731 ( 0.000 -0.687 2.339) 2.438 4.775 ( 0.000 -2.932 -4.661) 5.507 4.838 ( 0.000 0.966 -3.465) 3.597 4.848 ( 0.000 4.939 1.789) 5.253 5.032 ( 0.000 -0.191 -0.066) 0.202 5.146 ( 0.000 -8.167 7.383) 11.010 5.202 ( 0.000 -1.629 0.386) 1.674 5.285 ( 0.000 -2.321 -1.426) 2.724 5.363 ( 0.000 -9.937 -2.659) 10.286 5.449 ( 0.000 -2.994 -3.652) 4.722 5.489 ( 0.000 -4.973 4.677) 6.826 5.587 ( 0.000 -1.476 4.016) 4.279 5.599 ( 0.000 2.540 -5.537) 6.092 5.762 ( 0.000 3.487 0.999) 3.627 5.909 ( 0.000 -2.979 0.315) 2.996 6.006 ( 0.000 -5.395 -1.983) 5.748 6.113 ( 0.000 0.611 -6.486) 6.515 6.252 ( 0.000 1.074 -5.190) 5.300 6.296 ( 0.000 -1.774 -2.077) 2.732 6.436 ( 0.000 3.470 0.684) 3.537 6.459 ( 0.000 1.548 -0.853) 1.767 6.838 ( 0.000 10.991 -5.048) 12.094 6.976 ( 0.000 3.077 -4.490) 5.443 7.205 ( 0.000 -4.616 -9.595) 10.648 7.242 ( 0.000 4.276 -2.048) 4.741 7.419 ( 0.000 -5.016 6.562) 8.260 7.458 ( 0.000 -3.931 0.647) 3.984 7.600 ( 0.000 0.564 -4.732) 4.765 7.795 ( 0.000 -2.724 -0.882) 2.863 8.021 ( 0.000 9.273 -4.560) 10.333 8.056 ( 0.000 5.433 3.183) 6.296 8.486 ( 0.000 -10.235 4.936) 11.363 8.612 ( 0.000 -3.998 -3.975) 5.637 8.876 ( 0.000 3.301 3.688) 4.950 9.140 ( 0.000 -0.870 0.288) 0.917 9.433 ( 0.000 -1.051 0.760) 1.297 9.471 ( 0.000 6.377 1.482) 6.547 9.493 ( 0.000 3.243 0.379) 3.265 9.721 ( 0.000 5.048 -2.597) 5.677 9.803 ( 0.000 4.028 -6.181) 7.377 9.892 ( 0.000 2.289 -1.294) 2.629 9.946 ( 0.000 21.229 -18.033) 27.855 10.036 ( 0.000 0.555 1.158) 1.284 10.046 ( 0.000 6.605 -4.922) 8.237 10.330 ( 0.000 -0.352 -2.326) 2.352 10.427 ( 0.000 -1.876 4.298) 4.690 10.438 ( 0.000 -2.693 -0.914) 2.844 10.535 ( 0.000 -2.809 -0.249) 2.820 10.574 ( 0.000 0.332 4.243) 4.256 10.703 ( 0.000 5.268 1.514) 5.481 10.964 ( 0.000 -0.774 17.914) 17.931 11.655 ( 0.000 -10.169 -7.891) 12.871 12.182 ( 0.000 -13.420 4.922) 14.294 12.607 ( 0.000 4.874 0.535) 4.904 12.682 ( 0.000 -1.038 6.105) 6.192 13.069 ( 0.000 -0.334 1.133) 1.181 13.195 ( 0.000 -0.856 0.726) 1.122 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 11.372 10.997 12.737) 20.310 0.742 ( 12.969 13.048 11.443) 21.665 1.286 ( 12.976 32.386 15.781) 38.292 1.506 ( -13.341 3.906 3.575) 14.354 1.636 ( -12.758 3.910 1.492) 13.427 1.871 ( -2.474 13.274 0.198) 13.504 1.919 ( 1.880 4.740 1.382) 5.283 2.003 ( 0.853 -1.206 2.224) 2.670 2.074 ( 4.877 2.563 1.985) 5.856 2.217 ( 6.689 -4.418 2.832) 8.502 2.432 ( 7.320 10.873 -1.859) 13.239 2.591 ( 2.117 -7.442 -4.493) 8.948 2.763 ( -1.911 10.906 -4.222) 11.850 2.855 ( 0.160 -9.300 -2.169) 9.550 2.872 ( 0.124 -8.159 -2.350) 8.491 3.064 ( -0.674 1.803 2.457) 3.121 3.098 ( 0.786 2.277 2.528) 3.492 3.178 ( -7.121 0.186 -2.328) 7.494 3.232 ( -1.062 4.118 1.549) 4.526 3.305 ( -2.794 4.921 0.978) 5.743 3.416 ( -4.830 -0.543 -3.102) 5.766 3.462 ( -4.731 -1.889 -1.299) 5.257 3.513 ( -1.012 -2.714 -2.477) 3.811 3.570 ( -5.899 3.232 -0.124) 6.728 3.612 ( -1.054 1.148 -1.186) 1.958 3.700 ( 0.964 -2.544 0.483) 2.763 3.770 ( 5.890 -0.281 -1.935) 6.206 3.796 ( 3.112 -3.726 -4.378) 6.537 3.901 ( 0.381 1.132 -1.483) 1.904 3.937 ( -1.484 3.657 0.251) 3.954 3.970 ( 0.438 -3.184 2.526) 4.087 4.019 ( 2.242 6.313 -4.085) 7.847 4.189 ( -1.406 4.092 1.547) 4.595 4.263 ( -1.686 9.210 -4.097) 10.220 4.422 ( 2.927 -2.883 -2.538) 4.829 4.473 ( 2.805 -1.690 1.839) 3.756 4.487 ( 5.649 -0.133 -2.676) 6.252 4.602 ( -1.137 -4.010 -0.206) 4.173 4.618 ( -1.211 -3.985 1.497) 4.425 4.696 ( -1.149 -0.191 2.445) 2.708 4.783 ( -0.722 0.454 -2.851) 2.976 4.819 ( -1.173 -0.127 -1.908) 2.244 4.882 ( 3.667 2.881 1.582) 4.925 5.030 ( -2.640 -1.961 -1.467) 3.601 5.133 ( -1.827 -5.422 5.206) 7.735 5.173 ( -2.690 -1.626 -0.153) 3.147 5.236 ( 1.416 -4.461 -1.681) 4.973 5.436 ( -0.536 -5.033 -2.496) 5.643 5.477 ( 1.221 -4.254 1.548) 4.688 5.507 ( 2.038 -1.763 0.730) 2.792 5.584 ( 0.994 -3.525 3.437) 5.022 5.606 ( 2.221 -0.239 -4.794) 5.289 5.779 ( 1.132 2.007 1.475) 2.736 5.883 ( -2.259 -2.983 0.471) 3.772 5.978 ( -1.991 -3.100 -2.403) 4.398 6.123 ( 1.147 -0.099 -5.222) 5.347 6.202 ( -5.861 3.782 -3.971) 8.026 6.259 ( -2.453 3.207 -2.787) 4.906 6.376 ( 2.022 -6.135 -2.235) 6.835 6.544 ( 1.719 -0.888 0.828) 2.105 6.820 ( -1.069 9.775 -3.799) 10.541 6.936 ( -3.732 4.255 -4.511) 7.237 7.245 ( 2.327 -0.145 -3.172) 3.937 7.270 ( 3.562 -0.473 -5.026) 6.178 7.348 ( -2.879 -2.057 4.779) 5.947 7.489 ( -0.027 -2.455 0.875) 2.607 7.630 ( 1.793 -2.931 -4.429) 5.605 7.785 ( -1.416 -2.147 0.137) 2.575 8.003 ( -1.095 8.830 1.140) 8.970 8.061 ( 0.069 5.900 3.651) 6.939 8.405 ( -0.373 -2.574 0.191) 2.608 8.694 ( 1.490 -8.549 -5.051) 10.041 8.879 ( 0.938 3.451 2.887) 4.596 9.115 ( -2.813 -0.590 0.363) 2.898 9.414 ( -1.339 1.877 1.133) 2.569 9.448 ( -2.000 8.394 1.306) 8.727 9.498 ( 0.521 2.925 0.268) 2.983 9.608 ( -5.193 9.876 -3.108) 11.583 9.828 ( 0.320 0.443 -0.591) 0.805 9.947 ( 2.645 2.071 -0.609) 3.414 9.997 ( 1.610 2.291 -4.242) 5.083 10.078 ( 5.359 4.832 -6.393) 9.640 10.144 ( 7.813 4.434 -7.734) 11.854 10.338 ( 0.373 0.483 -3.403) 3.457 10.392 ( -2.223 -1.410 1.812) 3.195 10.458 ( 1.835 -2.033 -0.766) 2.844 10.513 ( -1.422 -2.528 0.216) 2.909 10.601 ( 2.365 0.688 5.917) 6.409 10.672 ( -3.108 4.511 1.084) 5.584 10.900 ( -5.960 -0.448 14.947) 16.098 11.730 ( 7.061 -10.358 -5.190) 13.568 12.141 ( -4.338 -13.319 4.601) 14.744 12.604 ( -0.248 4.938 0.627) 4.984 12.638 ( -3.041 2.975 4.854) 6.454 13.081 ( 1.315 -0.311 1.073) 1.726 13.182 ( -1.293 -0.459 0.730) 1.554 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 14.545 8.174 10.081) 19.494 1.021 ( 15.868 7.283 8.555) 19.443 1.231 ( -14.176 7.323 6.067) 17.070 1.352 ( -16.400 6.372 4.454) 18.149 1.582 ( 15.071 21.283 8.225) 27.345 1.792 ( -7.059 12.403 2.532) 14.494 1.954 ( 2.162 3.982 1.776) 4.867 1.998 ( -1.873 3.426 1.606) 4.222 2.178 ( 5.585 -2.005 0.648) 5.969 2.257 ( -2.193 -6.050 0.963) 6.506 2.570 ( 7.010 11.629 -2.871) 13.879 2.658 ( 0.183 4.792 -5.057) 6.969 2.739 ( 3.491 4.808 -4.842) 7.665 2.834 ( -2.820 -6.686 -4.391) 8.482 2.892 ( 2.166 -8.619 0.519) 8.902 2.987 ( -7.980 -5.011 -1.014) 9.477 3.095 ( 1.262 3.290 1.591) 3.866 3.122 ( -0.595 4.596 2.462) 5.248 3.210 ( -0.537 2.953 2.103) 3.665 3.240 ( -3.551 3.368 1.904) 5.251 3.364 ( 0.485 -0.013 -2.666) 2.709 3.405 ( -2.330 -1.310 -3.411) 4.334 3.460 ( -2.451 1.220 -1.480) 3.113 3.479 ( -3.434 4.352 0.116) 5.545 3.635 ( 2.499 -3.126 -1.459) 4.260 3.683 ( -2.311 -3.514 -0.517) 4.237 3.840 ( 2.427 0.800 -2.409) 3.512 3.861 ( 1.003 1.966 -2.965) 3.696 3.911 ( 1.249 -3.067 -0.173) 3.317 3.941 ( 0.730 -0.894 0.129) 1.161 3.957 ( 1.027 -2.363 2.204) 3.390 4.026 ( -2.457 4.093 -3.231) 5.765 4.177 ( 0.844 6.730 1.303) 6.907 4.214 ( -2.809 8.502 -0.239) 8.957 4.486 ( 3.197 -4.215 -4.018) 6.643 4.523 ( 0.170 -3.613 -2.037) 4.151 4.575 ( 1.534 -1.645 -0.858) 2.408 4.601 ( 1.725 -1.640 -3.467) 4.205 4.609 ( 2.981 0.549 0.389) 3.056 4.674 ( -2.268 0.746 -0.487) 2.437 4.771 ( -0.337 0.203 -0.857) 0.943 4.797 ( -1.749 -0.343 -0.379) 1.822 4.957 ( 3.164 -1.668 0.683) 3.642 4.982 ( -0.078 -0.662 -1.237) 1.405 5.078 ( -2.872 -1.619 3.414) 4.746 5.104 ( -4.125 -0.625 1.625) 4.478 5.308 ( 4.737 -4.879 -2.653) 7.300 5.390 ( -3.982 -3.312 -2.686) 5.834 5.496 ( 1.030 -2.609 2.207) 3.569 5.511 ( -0.310 1.965 1.279) 2.365 5.604 ( 2.366 -1.669 1.200) 3.134 5.653 ( -0.728 -4.355 1.071) 4.543 5.781 ( 0.913 -1.706 1.134) 2.243 5.832 ( -3.482 -3.140 1.073) 4.810 6.005 ( 4.785 -2.205 -3.492) 6.321 6.098 ( -4.814 -1.900 -2.306) 5.666 6.163 ( 2.445 1.995 -7.051) 7.725 6.214 ( -2.770 1.722 -6.160) 6.970 6.446 ( 4.653 -6.187 -0.294) 7.747 6.524 ( -3.315 -4.122 1.021) 5.387 6.821 ( 1.289 8.316 -3.286) 9.034 6.865 ( -3.399 6.410 -3.882) 8.229 7.278 ( 1.439 0.201 2.209) 2.644 7.298 ( -0.752 -1.942 3.888) 4.411 7.374 ( 4.659 -1.004 -5.634) 7.379 7.454 ( -3.529 -0.565 -4.370) 5.645 7.665 ( 2.618 -3.562 -0.553) 4.455 7.729 ( -4.019 -1.870 0.697) 4.487 8.015 ( 1.988 7.402 4.266) 8.771 8.049 ( -1.344 6.561 4.320) 7.970 8.485 ( 7.343 -1.888 -4.829) 8.989 8.628 ( -7.127 -4.288 -6.052) 10.287 8.939 ( 5.065 1.438 2.231) 5.719 9.038 ( -5.230 0.249 0.972) 5.326 9.402 ( 0.046 5.755 1.642) 5.985 9.415 ( -1.333 7.860 1.608) 8.132 9.513 ( 1.168 3.143 -0.213) 3.360 9.544 ( -2.285 5.149 -1.041) 5.729 9.851 ( 2.386 1.478 -0.180) 2.812 9.910 ( -3.627 2.002 -0.364) 4.159 10.103 ( 6.801 0.269 -2.151) 7.138 10.170 ( 3.547 1.581 -3.943) 5.534 10.201 ( -0.436 -0.189 -4.108) 4.136 10.274 ( -5.480 -0.095 -1.602) 5.710 10.435 ( 3.890 -0.024 -1.549) 4.187 10.480 ( -1.239 -1.926 0.485) 2.341 10.514 ( 3.443 -0.248 -1.613) 3.811 10.597 ( -4.682 2.452 0.071) 5.285 10.667 ( 4.897 1.051 7.714) 9.197 10.778 ( -6.780 0.347 10.652) 12.631 11.879 ( 8.625 -11.051 -0.916) 14.048 12.030 ( -7.435 -12.273 2.532) 14.571 12.599 ( -0.181 5.114 1.024) 5.218 12.603 ( -0.803 5.098 2.242) 5.626 13.113 ( 2.037 -0.262 0.927) 2.253 13.151 ( -1.964 -0.254 0.781) 2.129 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 20.387 7.293) 21.652 0.958 ( 0.000 20.767 5.832) 21.571 1.748 ( 0.000 -0.560 -1.654) 1.746 1.750 ( 0.000 5.588 0.527) 5.613 1.871 ( 0.000 32.851 10.644) 34.532 1.889 ( 0.000 -5.047 2.607) 5.681 1.977 ( 0.000 -0.754 -0.022) 0.755 1.999 ( 0.000 -9.214 4.143) 10.102 2.099 ( 0.000 2.287 5.990) 6.412 2.352 ( 0.000 -9.990 -1.085) 10.049 2.371 ( 0.000 25.368 0.513) 25.373 2.538 ( 0.000 3.238 -4.400) 5.463 2.689 ( 0.000 1.869 3.190) 3.697 2.753 ( 0.000 1.833 -0.752) 1.981 3.040 ( 0.000 6.625 -3.670) 7.574 3.133 ( 0.000 3.568 0.673) 3.631 3.214 ( 0.000 3.522 -2.027) 4.064 3.249 ( 0.000 6.382 3.343) 7.204 3.293 ( 0.000 0.679 -3.349) 3.417 3.396 ( 0.000 7.256 -0.911) 7.313 3.408 ( 0.000 -5.281 -0.044) 5.281 3.486 ( 0.000 -3.068 -0.047) 3.069 3.493 ( 0.000 -4.793 -1.879) 5.148 3.564 ( 0.000 -2.535 -0.447) 2.574 3.633 ( 0.000 -2.107 -1.100) 2.377 3.660 ( 0.000 -2.683 -10.526) 10.862 3.706 ( 0.000 1.779 -2.274) 2.887 3.847 ( 0.000 8.447 -1.780) 8.633 3.863 ( 0.000 -1.515 1.745) 2.311 3.981 ( 0.000 2.323 2.438) 3.368 4.061 ( 0.000 0.860 -8.221) 8.266 4.107 ( 0.000 6.750 -0.340) 6.759 4.293 ( 0.000 2.432 0.079) 2.433 4.326 ( 0.000 -0.647 -0.068) 0.651 4.359 ( 0.000 -2.429 -3.313) 4.108 4.383 ( 0.000 -1.970 1.024) 2.221 4.432 ( 0.000 -6.517 -2.055) 6.834 4.497 ( 0.000 -1.765 1.453) 2.286 4.538 ( 0.000 -3.018 6.045) 6.756 4.682 ( 0.000 -5.723 -1.942) 6.043 4.804 ( 0.000 8.742 -0.041) 8.742 4.879 ( 0.000 2.469 -4.913) 5.499 4.918 ( 0.000 -0.046 2.562) 2.562 4.998 ( 0.000 -4.616 1.286) 4.792 5.109 ( 0.000 7.716 4.793) 9.083 5.127 ( 0.000 -6.849 -1.376) 6.985 5.220 ( 0.000 -3.879 -0.074) 3.880 5.224 ( 0.000 -3.168 1.435) 3.478 5.327 ( 0.000 -8.480 6.295) 10.561 5.351 ( 0.000 -5.991 -4.526) 7.509 5.529 ( 0.000 -5.101 2.385) 5.631 5.646 ( 0.000 -0.460 -3.367) 3.399 5.818 ( 0.000 2.138 -0.219) 2.149 5.857 ( 0.000 -2.041 0.664) 2.146 5.893 ( 0.000 -5.297 -1.807) 5.597 6.058 ( 0.000 -7.501 2.090) 7.787 6.199 ( 0.000 -3.261 -8.776) 9.362 6.253 ( 0.000 -1.006 -5.291) 5.386 6.494 ( 0.000 1.447 1.038) 1.781 6.495 ( 0.000 2.298 1.712) 2.865 6.985 ( 0.000 3.457 -0.605) 3.510 7.064 ( 0.000 6.815 -5.552) 8.791 7.102 ( 0.000 -5.080 -6.444) 8.206 7.316 ( 0.000 2.440 -0.853) 2.585 7.392 ( 0.000 -3.395 -0.448) 3.424 7.404 ( 0.000 4.136 0.789) 4.210 7.567 ( 0.000 -3.671 -7.045) 7.944 7.739 ( 0.000 -3.373 -0.413) 3.398 8.163 ( 0.000 5.835 -4.665) 7.471 8.165 ( 0.000 5.240 2.908) 5.992 8.374 ( 0.000 -2.796 2.948) 4.063 8.516 ( 0.000 -5.411 -3.119) 6.246 8.973 ( 0.000 6.284 1.862) 6.554 9.208 ( 0.000 7.384 0.190) 7.387 9.340 ( 0.000 -5.252 2.552) 5.839 9.562 ( 0.000 3.198 1.675) 3.610 9.633 ( 0.000 6.490 -0.256) 6.495 9.786 ( 0.000 -2.664 -2.227) 3.473 9.811 ( 0.000 4.062 -2.874) 4.976 9.904 ( 0.000 0.101 -0.669) 0.677 10.038 ( 0.000 1.177 0.776) 1.410 10.184 ( 0.000 3.952 -5.641) 6.888 10.269 ( 0.000 9.348 -12.849) 15.890 10.355 ( 0.000 5.854 -0.440) 5.870 10.377 ( 0.000 -3.003 3.691) 4.758 10.379 ( 0.000 -2.382 -1.453) 2.790 10.495 ( 0.000 -0.844 -3.816) 3.908 10.578 ( 0.000 0.323 5.699) 5.708 10.760 ( 0.000 -1.037 7.459) 7.531 11.011 ( 0.000 7.428 11.183) 13.425 11.382 ( 0.000 -17.347 -7.256) 18.804 11.857 ( 0.000 -17.702 7.937) 19.399 12.745 ( 0.000 9.039 0.561) 9.056 12.774 ( 0.000 7.323 1.893) 7.563 13.053 ( 0.000 -1.458 1.283) 1.942 13.171 ( 0.000 -2.250 0.456) 2.296 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 4.998 17.044 5.307) 18.538 1.061 ( 7.672 18.780 7.996) 21.806 1.617 ( -10.978 6.971 3.170) 13.385 1.645 ( -9.606 -0.021 0.510) 9.619 1.879 ( 0.499 -3.674 1.650) 4.058 1.933 ( 2.440 19.953 4.928) 20.697 1.980 ( 0.822 3.150 2.068) 3.856 2.072 ( 5.511 -7.457 3.267) 9.831 2.121 ( 1.588 -1.200 4.545) 4.962 2.288 ( -4.436 21.463 0.077) 21.916 2.450 ( 9.403 -4.674 -1.305) 10.581 2.617 ( 5.411 0.096 -3.474) 6.431 2.741 ( 2.739 4.673 -0.156) 5.419 2.786 ( 5.195 7.902 1.853) 9.637 3.027 ( -2.319 4.288 -3.030) 5.740 3.109 ( -7.001 5.104 -2.341) 8.975 3.134 ( -0.087 2.665 -0.339) 2.688 3.241 ( -0.656 6.652 3.552) 7.569 3.326 ( 0.423 5.139 -1.437) 5.353 3.371 ( -3.303 -0.261 -0.279) 3.325 3.378 ( -1.026 0.015 -3.419) 3.569 3.440 ( -6.163 -0.109 -2.771) 6.758 3.502 ( -0.860 -0.730 0.751) 1.355 3.508 ( -0.983 -3.903 0.662) 4.079 3.630 ( -1.379 -5.093 -7.231) 8.952 3.704 ( 2.517 0.430 -3.347) 4.210 3.750 ( 2.616 -0.164 -0.946) 2.786 3.784 ( -1.279 4.955 -0.253) 5.124 3.868 ( -0.950 -2.708 1.458) 3.219 3.958 ( -2.437 1.607 -0.064) 2.920 4.028 ( -2.127 4.169 -4.102) 6.223 4.118 ( 0.468 2.502 -1.748) 3.088 4.286 ( -0.790 3.701 0.645) 3.839 4.342 ( 0.374 -3.137 -0.711) 3.238 4.373 ( 1.478 -3.841 -3.450) 5.370 4.428 ( 0.031 -4.689 -1.638) 4.967 4.448 ( 5.719 -1.983 0.592) 6.082 4.525 ( 0.114 -1.497 0.488) 1.579 4.533 ( 3.131 -2.079 2.229) 4.370 4.682 ( -0.491 -4.251 -0.161) 4.283 4.793 ( -0.833 5.859 0.156) 5.920 4.839 ( -2.572 0.777 -1.405) 3.032 4.938 ( 0.559 2.378 -0.416) 2.478 5.006 ( 0.049 -3.097 2.073) 3.727 5.052 ( -2.871 -0.019 0.900) 3.009 5.137 ( -2.793 -1.515 -0.026) 3.178 5.197 ( 3.286 1.159 1.658) 3.859 5.316 ( 2.504 -5.987 -0.717) 6.529 5.366 ( 2.526 -5.289 3.538) 6.846 5.378 ( 6.137 -8.161 -0.172) 10.212 5.526 ( 0.241 -4.449 1.330) 4.650 5.637 ( -1.395 -0.608 -2.775) 3.164 5.804 ( -2.959 -0.903 0.096) 3.095 5.832 ( -1.870 -0.676 0.676) 2.100 5.893 ( 1.138 -3.841 -1.414) 4.248 6.063 ( -0.129 -5.923 0.458) 5.942 6.219 ( 1.228 -4.118 -7.833) 8.934 6.245 ( 0.382 -1.531 -3.567) 3.901 6.351 ( -8.789 3.721 -2.052) 9.763 6.516 ( -2.351 -1.911 2.841) 4.154 6.974 ( -0.651 4.688 -2.346) 5.282 7.036 ( -2.226 6.910 -4.853) 8.732 7.161 ( 4.704 -4.922 -3.747) 7.771 7.294 ( -1.502 -0.067 2.105) 2.587 7.376 ( -0.127 4.994 -1.288) 5.159 7.451 ( 2.274 -1.366 -0.737) 2.753 7.560 ( -0.297 -4.223 -6.153) 7.469 7.731 ( -1.296 -3.671 -0.666) 3.950 8.167 ( 0.114 6.689 -1.320) 6.819 8.174 ( 0.717 6.411 2.089) 6.781 8.361 ( 1.439 -1.873 -0.101) 2.364 8.553 ( 1.594 -6.347 -3.297) 7.328 8.983 ( 1.450 7.049 1.636) 7.380 9.187 ( -2.381 7.526 0.198) 7.896 9.374 ( 3.133 -3.762 2.085) 5.322 9.554 ( -1.458 2.446 0.979) 3.011 9.612 ( -1.187 6.484 0.569) 6.617 9.746 ( -4.061 4.395 -3.273) 6.821 9.823 ( 1.836 -0.692 -0.869) 2.146 9.965 ( 5.387 -1.512 -1.095) 5.702 10.017 ( -2.221 2.205 0.015) 3.130 10.177 ( -0.024 2.398 -5.633) 6.122 10.242 ( -2.243 3.759 -5.175) 6.778 10.341 ( -3.282 -1.275 1.777) 3.944 10.384 ( 2.479 1.528 -3.775) 4.767 10.427 ( 3.116 0.595 -1.273) 3.418 10.480 ( -0.513 -0.413 -3.172) 3.240 10.626 ( 4.499 2.700 6.003) 7.973 10.710 ( -4.801 -1.818 6.301) 8.128 10.961 ( -4.744 8.069 8.909) 12.923 11.456 ( 6.873 -17.023 -3.799) 18.747 11.823 ( -3.583 -17.642 6.767) 19.231 12.743 ( -0.170 9.014 0.630) 9.038 12.761 ( -1.097 8.006 1.714) 8.261 13.065 ( 1.278 -1.549 1.195) 2.337 13.161 ( -1.101 -2.179 0.530) 2.498 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 11.001 10.625 4.852) 16.045 1.216 ( 7.552 13.135 8.391) 17.320 1.400 ( -10.522 8.610 3.024) 13.928 1.453 ( -10.600 6.943 3.975) 13.280 1.885 ( 0.305 -8.647 -0.132) 8.653 1.905 ( -2.108 -5.876 -0.123) 6.244 2.063 ( 4.296 14.483 3.439) 15.493 2.107 ( -1.129 4.648 3.569) 5.968 2.177 ( 4.600 1.755 3.141) 5.840 2.244 ( -2.112 11.034 0.207) 11.236 2.646 ( 10.304 -0.016 -2.279) 10.553 2.709 ( 3.749 2.903 -2.554) 5.386 2.768 ( 1.206 1.151 0.004) 1.667 2.874 ( -4.542 -0.338 0.492) 4.581 2.930 ( 0.963 10.001 -2.683) 10.399 3.017 ( -4.531 14.908 -2.944) 15.857 3.167 ( 3.648 4.123 0.344) 5.516 3.239 ( 0.273 6.516 3.025) 7.190 3.262 ( -4.736 2.184 0.054) 5.216 3.300 ( -4.058 4.433 0.915) 6.080 3.365 ( -0.744 -0.098 -3.332) 3.416 3.377 ( -0.781 -1.264 -4.781) 5.006 3.477 ( -0.754 -1.249 -0.218) 1.475 3.491 ( -1.047 -1.550 0.059) 1.871 3.627 ( 0.870 -2.648 -3.046) 4.129 3.657 ( -2.968 3.789 -1.693) 5.102 3.780 ( 1.718 -1.761 0.303) 2.479 3.824 ( -3.019 -5.090 2.341) 6.364 3.881 ( 5.256 -0.899 -2.162) 5.754 3.924 ( -1.023 1.495 -3.272) 3.740 4.013 ( 1.386 3.677 -1.107) 4.083 4.083 ( -4.291 1.625 -0.394) 4.605 4.289 ( 1.252 1.197 -0.081) 1.734 4.323 ( -2.039 -0.469 -0.222) 2.104 4.402 ( 1.779 -5.591 -4.573) 7.439 4.426 ( -0.634 -7.170 -1.737) 7.404 4.535 ( 3.461 -1.134 0.054) 3.642 4.562 ( 2.070 -0.731 -3.560) 4.183 4.599 ( 3.341 -1.717 1.438) 4.023 4.654 ( -2.375 -3.183 0.191) 3.976 4.780 ( -0.338 2.868 0.656) 2.961 4.797 ( -2.075 1.100 1.059) 2.577 4.942 ( 1.076 1.989 -0.719) 2.373 4.983 ( -2.348 0.409 1.568) 2.853 5.042 ( 1.235 -0.149 0.228) 1.265 5.080 ( -2.689 -1.001 0.488) 2.911 5.260 ( 2.964 -0.995 0.336) 3.145 5.307 ( -2.096 -4.272 -0.495) 4.784 5.456 ( 5.853 -2.380 3.540) 7.243 5.494 ( 4.466 -6.159 1.239) 7.708 5.544 ( 1.056 -4.581 -0.811) 4.771 5.588 ( -3.429 -1.362 -2.101) 4.246 5.744 ( -2.273 -1.976 1.018) 3.179 5.764 ( -4.308 -1.391 1.075) 4.652 5.957 ( 4.911 -2.608 -0.580) 5.590 6.038 ( -3.057 -4.678 -0.204) 5.592 6.201 ( -0.786 0.624 -7.930) 7.993 6.229 ( -3.885 0.625 -6.552) 7.643 6.320 ( 5.838 -5.576 0.289) 8.079 6.433 ( -5.957 -4.861 2.322) 8.032 6.973 ( 0.600 6.273 -3.351) 7.138 6.996 ( -1.860 7.249 -3.657) 8.329 7.241 ( 3.322 -3.736 -0.081) 5.000 7.275 ( -0.852 -1.014 3.075) 3.348 7.388 ( 1.732 3.191 -2.189) 4.239 7.439 ( -3.036 -0.710 -4.402) 5.395 7.597 ( 4.118 -3.534 -2.014) 5.788 7.679 ( -4.149 -3.552 -1.022) 5.557 8.174 ( 0.774 7.950 0.999) 8.050 8.183 ( 0.005 7.048 1.867) 7.291 8.439 ( 5.779 -2.792 -3.429) 7.277 8.534 ( -3.709 -5.034 -4.004) 7.425 9.036 ( 4.192 7.952 1.140) 9.062 9.121 ( -4.552 7.872 0.415) 9.103 9.437 ( 3.578 -0.996 1.513) 4.011 9.503 ( -3.481 1.121 1.011) 3.794 9.618 ( 1.692 6.529 0.318) 6.752 9.669 ( -3.746 6.346 -1.395) 7.500 9.871 ( 3.334 0.023 -0.626) 3.393 9.943 ( -4.238 0.360 -0.741) 4.318 10.094 ( 6.790 -0.700 -1.430) 6.975 10.192 ( -3.001 -0.603 -3.129) 4.377 10.197 ( 1.639 0.112 -3.439) 3.811 10.260 ( -4.724 -1.345 -0.975) 5.008 10.429 ( 1.769 -0.042 -1.420) 2.269 10.447 ( -0.420 -0.904 -0.652) 1.191 10.516 ( 4.135 -0.128 -1.948) 4.572 10.609 ( -5.610 -2.039 2.255) 6.380 10.732 ( 6.621 6.835 7.018) 11.824 10.855 ( -6.478 8.465 7.313) 12.927 11.597 ( 7.826 -17.118 0.539) 18.830 11.730 ( -6.373 -17.429 4.017) 18.988 12.740 ( -0.047 8.939 0.853) 8.980 12.744 ( -0.558 8.718 1.252) 8.825 13.096 ( 1.975 -1.765 0.978) 2.824 13.133 ( -1.864 -2.001 0.726) 2.829 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 20.166 4.596) 20.683 1.366 ( 0.000 20.703 1.630) 20.767 1.727 ( 0.000 -14.874 3.609) 15.305 1.741 ( 0.000 -15.133 -0.340) 15.137 1.757 ( 0.000 -1.244 0.668) 1.412 1.796 ( 0.000 -2.932 1.299) 3.207 1.929 ( 0.000 5.830 2.177) 6.224 2.076 ( 0.000 -6.937 1.497) 7.097 2.184 ( 0.000 5.578 3.146) 6.404 2.289 ( 0.000 -4.002 0.418) 4.024 2.748 ( 0.000 25.510 3.148) 25.703 2.791 ( 0.000 16.721 -1.903) 16.829 2.864 ( 0.000 8.517 3.222) 9.106 2.883 ( 0.000 7.325 3.821) 8.262 3.034 ( 0.000 -7.424 -1.860) 7.654 3.168 ( 0.000 -8.675 -2.138) 8.935 3.196 ( 0.000 2.120 -0.186) 2.128 3.258 ( 0.000 -1.786 0.894) 1.997 3.278 ( 0.000 -5.055 1.160) 5.186 3.351 ( 0.000 -6.009 -1.397) 6.169 3.401 ( 0.000 -1.130 -3.213) 3.406 3.446 ( 0.000 2.299 -1.322) 2.652 3.494 ( 0.000 -1.084 -0.961) 1.449 3.596 ( 0.000 3.821 -5.589) 6.770 3.612 ( 0.000 -4.958 -2.788) 5.688 3.647 ( 0.000 -4.959 -8.044) 9.449 3.689 ( 0.000 12.363 -1.584) 12.464 3.870 ( 0.000 -3.187 -3.151) 4.482 3.994 ( 0.000 5.978 -4.521) 7.494 4.012 ( 0.000 1.981 2.783) 3.416 4.062 ( 0.000 4.004 -0.319) 4.016 4.182 ( 0.000 -3.984 2.745) 4.838 4.265 ( 0.000 -2.600 -1.883) 3.210 4.280 ( 0.000 -0.108 -1.649) 1.653 4.312 ( 0.000 -0.553 -3.909) 3.948 4.340 ( 0.000 -1.464 -3.723) 4.001 4.392 ( 0.000 -0.590 -0.391) 0.708 4.426 ( 0.000 -4.436 2.612) 5.148 4.554 ( 0.000 1.834 5.449) 5.749 4.590 ( 0.000 -2.442 3.795) 4.512 4.847 ( 0.000 -2.711 5.921) 6.512 4.877 ( 0.000 -3.130 -0.739) 3.216 4.986 ( 0.000 1.326 -4.920) 5.096 5.004 ( 0.000 1.678 -4.308) 4.623 5.060 ( 0.000 8.624 -2.506) 8.981 5.163 ( 0.000 -1.917 1.465) 2.413 5.193 ( 0.000 -0.383 3.347) 3.369 5.216 ( 0.000 -1.262 4.699) 4.866 5.220 ( 0.000 -2.837 1.078) 3.035 5.327 ( 0.000 4.377 0.600) 4.418 5.380 ( 0.000 -4.930 0.452) 4.950 5.558 ( 0.000 -8.831 0.145) 8.832 5.831 ( 0.000 -0.547 -0.883) 1.039 5.836 ( 0.000 -0.226 -0.560) 0.603 5.842 ( 0.000 0.279 1.109) 1.143 5.898 ( 0.000 -6.164 2.228) 6.554 6.189 ( 0.000 1.101 -8.471) 8.542 6.221 ( 0.000 -1.945 -6.440) 6.727 6.515 ( 0.000 0.773 2.124) 2.260 6.520 ( 0.000 0.367 2.171) 2.202 7.012 ( 0.000 0.484 -5.044) 5.067 7.032 ( 0.000 -2.091 -5.088) 5.501 7.205 ( 0.000 6.726 1.959) 7.005 7.315 ( 0.000 -4.737 0.800) 4.804 7.376 ( 0.000 4.359 -4.726) 6.429 7.475 ( 0.000 -5.392 -6.703) 8.602 7.524 ( 0.000 7.050 -1.356) 7.179 7.652 ( 0.000 -5.719 -1.437) 5.897 8.243 ( 0.000 2.549 2.197) 3.366 8.249 ( 0.000 2.436 -1.680) 2.959 8.355 ( 0.000 1.024 0.435) 1.112 8.417 ( 0.000 -4.634 -2.670) 5.348 9.103 ( 0.000 6.839 1.746) 7.058 9.228 ( 0.000 -5.926 2.444) 6.411 9.397 ( 0.000 10.387 0.669) 10.409 9.562 ( 0.000 -4.878 1.741) 5.180 9.713 ( 0.000 2.108 -1.129) 2.391 9.737 ( 0.000 -1.402 -1.517) 2.066 9.872 ( 0.000 2.054 -1.637) 2.627 9.896 ( 0.000 -0.789 -1.166) 1.407 10.085 ( 0.000 3.489 0.063) 3.489 10.160 ( 0.000 -3.796 -1.745) 4.177 10.312 ( 0.000 -0.789 -1.295) 1.517 10.324 ( 0.000 -2.028 1.382) 2.455 10.419 ( 0.000 3.341 -6.494) 7.303 10.450 ( 0.000 -0.113 -2.727) 2.729 10.603 ( 0.000 2.656 7.031) 7.516 10.625 ( 0.000 11.599 -8.231) 14.223 10.706 ( 0.000 0.507 10.747) 10.759 11.015 ( 0.000 -19.723 -5.895) 20.585 11.228 ( 0.000 13.873 7.153) 15.608 11.525 ( 0.000 -16.434 6.995) 17.861 12.909 ( 0.000 6.167 1.061) 6.257 12.932 ( 0.000 9.435 0.488) 9.448 13.006 ( 0.000 -3.467 1.327) 3.712 13.091 ( 0.000 -6.249 0.539) 6.272 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.20 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.374 18.113 1.837) 18.209 1.433 ( 3.884 18.431 5.659) 19.667 1.630 ( -4.998 -7.745 1.862) 9.404 1.671 ( -7.188 -3.500 2.264) 8.309 1.769 ( -2.400 -4.384 0.564) 5.029 1.843 ( 3.354 -9.932 0.183) 10.485 1.874 ( -3.361 0.760 1.170) 3.639 2.026 ( -2.464 -8.108 3.339) 9.108 2.288 ( 7.152 6.779 2.157) 10.088 2.385 ( 9.211 -4.085 0.671) 10.099 2.659 ( -7.632 15.665 -0.396) 17.430 2.818 ( 5.457 20.598 2.266) 21.429 2.863 ( -1.611 0.953 0.265) 1.890 2.962 ( 0.368 4.848 1.527) 5.097 3.027 ( 4.238 2.740 1.345) 5.222 3.176 ( 0.980 -3.542 -2.554) 4.475 3.224 ( 2.943 3.229 -0.757) 4.434 3.257 ( -0.047 -3.299 0.703) 3.373 3.265 ( -1.405 -3.014 -1.433) 3.621 3.354 ( -0.289 -3.725 -0.565) 3.778 3.414 ( -0.113 -1.580 -2.590) 3.036 3.472 ( 2.279 -0.605 -1.337) 2.711 3.477 ( -2.041 3.734 -2.928) 5.165 3.555 ( -3.715 3.612 -3.118) 6.047 3.598 ( -4.500 2.586 -6.286) 8.152 3.643 ( 5.028 -7.546 -0.687) 9.094 3.702 ( 0.712 3.084 -1.246) 3.401 3.848 ( -1.401 -5.489 -4.134) 7.013 3.940 ( -3.628 9.347 -2.416) 10.314 4.005 ( -3.293 7.408 2.955) 8.628 4.056 ( 0.259 -0.967 -4.433) 4.544 4.175 ( -0.530 2.175 0.488) 2.291 4.209 ( -3.890 -7.422 -0.279) 8.385 4.261 ( -2.545 -4.947 0.261) 5.569 4.292 ( -2.201 -1.739 -0.300) 2.821 4.342 ( -1.748 -5.229 -3.604) 6.587 4.426 ( 5.928 1.002 -0.431) 6.028 4.482 ( 2.605 -2.774 2.478) 4.540 4.555 ( 0.697 0.433 2.161) 2.311 4.588 ( -0.297 -3.367 2.993) 4.515 4.841 ( 1.640 3.948 3.104) 5.283 4.953 ( 4.791 -4.291 0.956) 6.502 4.987 ( 0.349 3.777 -4.471) 5.863 5.007 ( -0.800 5.681 -2.643) 6.317 5.027 ( -1.202 2.842 -1.219) 3.318 5.129 ( -3.128 -0.395 1.004) 3.309 5.206 ( -0.686 -3.634 2.828) 4.656 5.229 ( 0.703 -2.689 1.873) 3.352 5.269 ( 6.354 -0.148 0.766) 6.402 5.372 ( 3.910 3.580 1.843) 5.612 5.383 ( 0.849 -5.765 -0.480) 5.847 5.549 ( -1.131 -8.010 0.214) 8.093 5.804 ( -2.379 2.088 0.694) 3.240 5.824 ( -0.921 0.193 -0.515) 1.073 5.858 ( 1.602 -0.891 0.320) 1.861 5.915 ( 0.828 -7.288 2.384) 7.712 6.186 ( -0.015 0.654 -7.957) 7.984 6.215 ( -0.341 -1.886 -6.162) 6.453 6.418 ( -7.987 3.113 0.255) 8.576 6.473 ( -5.759 -2.569 2.003) 6.616 7.027 ( 1.717 2.030 -4.335) 5.086 7.074 ( 3.925 -3.016 -3.721) 6.192 7.188 ( -1.940 6.784 0.621) 7.083 7.282 ( -2.257 -2.233 0.954) 3.316 7.419 ( 3.034 0.771 -3.547) 4.731 7.471 ( 0.099 -3.571 -5.519) 6.575 7.515 ( -0.931 6.038 -0.972) 6.186 7.638 ( -1.594 -5.852 -1.389) 6.222 8.254 ( 1.674 3.416 0.481) 3.835 8.287 ( 3.243 1.977 -1.517) 4.090 8.346 ( -0.148 2.249 -0.278) 2.271 8.440 ( 1.258 -5.569 -2.436) 6.207 9.133 ( 3.201 7.922 1.630) 8.698 9.272 ( 4.241 -5.858 1.884) 7.474 9.375 ( -2.306 9.763 0.773) 10.062 9.534 ( -2.944 -5.190 1.144) 6.076 9.711 ( 0.631 3.959 -0.236) 4.016 9.765 ( 2.260 -1.634 -2.052) 3.462 9.849 ( -1.870 3.121 -1.570) 3.962 9.912 ( 0.791 -3.280 -1.196) 3.580 10.079 ( -0.125 3.762 -0.068) 3.765 10.152 ( -0.452 -3.406 -1.658) 3.815 10.268 ( -3.892 0.389 -1.786) 4.300 10.297 ( -3.203 -2.566 0.282) 4.114 10.434 ( 1.364 2.377 -4.157) 4.979 10.450 ( 0.119 0.243 -2.128) 2.145 10.524 ( -3.143 4.428 -0.016) 5.430 10.624 ( -4.425 -5.159 4.060) 7.917 10.781 ( 8.279 13.072 3.156) 15.792 11.092 ( 6.372 -15.457 -2.387) 16.888 11.197 ( -2.924 11.087 6.711) 13.286 11.489 ( -3.821 -16.611 6.339) 18.186 12.908 ( -0.030 6.757 1.038) 6.836 12.928 ( -0.379 9.327 0.582) 9.353 13.014 ( 0.836 -3.900 1.219) 4.171 13.083 ( -0.849 -6.075 0.598) 6.163 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.40 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.482 12.782 2.038) 13.697 1.455 ( -3.949 9.684 5.206) 11.682 1.553 ( -1.103 5.635 3.534) 6.742 1.575 ( -2.498 -4.146 3.449) 5.943 1.734 ( -0.319 -2.035 -1.121) 2.345 1.774 ( -4.205 3.964 0.756) 5.828 1.932 ( 3.502 -13.975 2.022) 14.548 1.985 ( -2.376 -11.955 3.303) 12.628 2.416 ( 6.759 10.689 0.989) 12.685 2.534 ( -6.131 13.666 -0.347) 14.982 2.573 ( 10.266 -6.136 0.168) 11.961 2.748 ( -8.368 -8.457 -0.649) 11.915 2.939 ( 4.836 16.743 0.185) 17.428 2.975 ( 0.851 13.647 0.740) 13.694 3.116 ( 4.231 1.710 -0.080) 4.564 3.189 ( -2.243 -3.568 -1.094) 4.354 3.227 ( 0.914 5.575 0.483) 5.670 3.258 ( -0.333 -1.694 -0.730) 1.875 3.289 ( 2.601 -1.200 -1.886) 3.430 3.340 ( -2.708 -2.940 -0.413) 4.018 3.380 ( 0.484 4.022 -3.921) 5.638 3.441 ( -2.706 1.627 -1.265) 3.401 3.472 ( -1.668 -2.208 -4.249) 5.071 3.489 ( -4.327 1.797 -5.338) 7.102 3.583 ( 5.650 6.938 1.391) 9.055 3.677 ( -3.368 3.569 1.183) 5.048 3.785 ( 7.539 -8.726 -0.466) 11.541 3.849 ( 0.513 -5.847 -4.305) 7.280 3.885 ( -1.525 10.689 -1.728) 10.934 3.921 ( -4.756 8.052 -0.087) 9.352 4.054 ( 0.216 -1.850 -4.616) 4.978 4.104 ( -5.097 -1.851 -2.266) 5.877 4.208 ( 2.409 -6.157 3.571) 7.514 4.230 ( -0.484 -6.179 1.526) 6.383 4.252 ( -1.470 -3.798 -0.124) 4.075 4.286 ( -4.086 -7.025 -0.821) 8.168 4.516 ( 3.389 -0.700 0.131) 3.463 4.530 ( 2.904 -1.644 0.724) 3.415 4.562 ( -0.649 -1.882 0.330) 2.018 4.576 ( -1.200 -3.127 1.624) 3.723 4.897 ( 3.627 9.116 1.134) 9.877 4.957 ( -2.821 9.573 -0.772) 10.010 5.009 ( 1.786 4.032 -2.857) 5.254 5.019 ( 1.273 -0.699 0.107) 1.456 5.037 ( 1.157 1.118 -0.800) 1.797 5.074 ( -2.733 2.038 0.093) 3.411 5.195 ( 0.151 -7.347 1.422) 7.485 5.218 ( -1.643 -5.993 1.931) 6.507 5.393 ( 5.862 -1.434 0.048) 6.035 5.418 ( 2.135 -2.042 -0.262) 2.966 5.440 ( 2.970 -2.715 0.367) 4.041 5.508 ( -3.534 -5.719 -0.166) 6.725 5.773 ( -0.327 5.063 1.612) 5.324 5.797 ( -2.066 3.793 0.852) 4.402 5.889 ( 1.554 -4.442 0.586) 4.742 5.912 ( -0.946 -7.647 1.276) 7.811 6.200 ( 1.824 0.955 -6.416) 6.738 6.239 ( 3.387 -2.441 -2.938) 5.105 6.276 ( -6.039 2.719 -2.900) 7.230 6.346 ( -7.069 -4.125 0.315) 8.190 7.072 ( 3.025 4.568 -2.851) 6.177 7.131 ( -2.492 5.674 -1.982) 6.507 7.161 ( 3.662 -3.704 -1.200) 5.345 7.234 ( -3.358 -3.739 0.235) 5.031 7.452 ( 1.202 2.485 -2.660) 3.833 7.478 ( -1.212 5.291 -1.464) 5.622 7.524 ( 3.325 -3.723 -2.009) 5.380 7.591 ( -3.402 -5.364 -1.451) 6.516 8.295 ( 2.267 5.085 -0.681) 5.609 8.322 ( -0.389 6.462 -1.278) 6.599 8.378 ( 3.765 -3.439 -2.066) 5.502 8.436 ( -1.860 -5.217 -2.659) 6.144 9.213 ( 5.092 9.434 1.150) 10.782 9.303 ( -4.093 9.473 0.582) 10.336 9.371 ( 4.822 -5.667 1.441) 7.579 9.462 ( -4.639 -5.445 0.939) 7.215 9.739 ( 2.211 5.803 -0.392) 6.222 9.782 ( -1.785 5.262 -1.856) 5.858 9.839 ( 2.375 -2.974 -1.020) 3.941 9.896 ( -2.697 -4.746 -1.425) 5.642 10.109 ( 3.602 2.184 -0.593) 4.254 10.161 ( 1.645 -2.697 -1.586) 3.535 10.190 ( -4.397 0.324 -1.457) 4.644 10.220 ( -4.415 -2.462 -0.918) 5.138 10.454 ( 0.563 1.448 -1.368) 2.070 10.459 ( 0.506 2.606 -0.576) 2.716 10.498 ( 0.594 -1.146 -0.615) 1.430 10.543 ( -3.762 -4.009 1.792) 5.782 10.940 ( 8.513 14.041 3.944) 16.887 11.081 ( -6.457 13.978 4.954) 16.174 11.254 ( 7.732 -17.332 2.166) 19.102 11.390 ( -6.653 -17.094 4.536) 18.895 12.911 ( 0.315 7.897 0.939) 7.959 12.919 ( -0.546 8.833 0.769) 8.883 13.035 ( 1.396 -4.766 0.991) 5.064 13.061 ( -1.394 -5.560 0.763) 5.782 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 0.000 17.850) 17.850 0.862 ( 0.000 0.000 21.182) 21.182 1.315 ( 0.000 0.000 30.907) 30.907 1.680 ( 0.000 0.000 -7.417) 7.417 1.680 ( 0.000 0.000 0.731) 0.731 1.723 ( 0.000 0.000 5.997) 5.997 1.892 ( 0.000 0.000 3.152) 3.152 2.041 ( 0.000 0.000 5.414) 5.414 2.120 ( 0.000 0.000 5.031) 5.031 2.215 ( 0.000 0.000 -2.095) 2.095 2.242 ( 0.000 0.000 6.154) 6.154 2.546 ( 0.000 0.000 -5.930) 5.930 2.602 ( 0.000 0.000 -6.088) 6.088 2.886 ( 0.000 0.000 -5.489) 5.489 2.915 ( 0.000 0.000 -7.228) 7.228 3.052 ( 0.000 0.000 0.278) 0.278 3.079 ( 0.000 0.000 1.451) 1.451 3.258 ( 0.000 0.000 3.792) 3.792 3.289 ( 0.000 0.000 -9.289) 9.289 3.297 ( 0.000 0.000 7.532) 7.532 3.387 ( 0.000 0.000 -7.485) 7.485 3.423 ( 0.000 0.000 -0.982) 0.982 3.493 ( 0.000 0.000 -2.000) 2.000 3.616 ( 0.000 0.000 -10.842) 10.842 3.656 ( 0.000 0.000 -2.769) 2.769 3.696 ( 0.000 0.000 -0.435) 0.435 3.700 ( 0.000 0.000 -2.047) 2.047 3.703 ( 0.000 0.000 -6.703) 6.703 3.754 ( 0.000 0.000 6.603) 6.603 3.890 ( 0.000 0.000 -0.989) 0.989 3.921 ( 0.000 0.000 0.669) 0.669 3.963 ( 0.000 0.000 -0.431) 0.431 4.088 ( 0.000 0.000 -1.990) 1.990 4.180 ( 0.000 0.000 -1.075) 1.075 4.354 ( 0.000 0.000 -2.932) 2.932 4.455 ( 0.000 0.000 3.058) 3.058 4.527 ( 0.000 0.000 -0.029) 0.029 4.649 ( 0.000 0.000 -6.864) 6.864 4.689 ( 0.000 0.000 0.643) 0.643 4.704 ( 0.000 0.000 -4.576) 4.576 4.772 ( 0.000 0.000 7.201) 7.201 4.818 ( 0.000 0.000 0.086) 0.086 4.873 ( 0.000 0.000 5.493) 5.493 4.985 ( 0.000 0.000 -4.630) 4.630 5.217 ( 0.000 0.000 -3.483) 3.483 5.261 ( 0.000 0.000 -3.302) 3.302 5.286 ( 0.000 0.000 -4.158) 4.158 5.375 ( 0.000 0.000 7.135) 7.135 5.403 ( 0.000 0.000 -5.474) 5.474 5.451 ( 0.000 0.000 -3.054) 3.054 5.675 ( 0.000 0.000 0.662) 0.662 5.677 ( 0.000 0.000 3.259) 3.259 5.767 ( 0.000 0.000 2.092) 2.092 5.962 ( 0.000 0.000 1.168) 1.168 6.026 ( 0.000 0.000 -2.735) 2.735 6.056 ( 0.000 0.000 2.403) 2.403 6.120 ( 0.000 0.000 -5.222) 5.222 6.200 ( 0.000 0.000 -2.174) 2.174 6.386 ( 0.000 0.000 -0.349) 0.349 6.463 ( 0.000 0.000 -0.012) 0.012 6.603 ( 0.000 0.000 -1.192) 1.192 7.026 ( 0.000 0.000 4.305) 4.305 7.044 ( 0.000 0.000 -10.445) 10.445 7.150 ( 0.000 0.000 -1.870) 1.870 7.468 ( 0.000 0.000 -6.595) 6.595 7.505 ( 0.000 0.000 -5.181) 5.181 7.597 ( 0.000 0.000 4.116) 4.116 7.771 ( 0.000 0.000 -2.139) 2.139 7.985 ( 0.000 0.000 6.858) 6.858 8.086 ( 0.000 0.000 5.015) 5.015 8.577 ( 0.000 0.000 -2.737) 2.737 8.705 ( 0.000 0.000 -2.546) 2.546 8.908 ( 0.000 0.000 2.843) 2.843 9.200 ( 0.000 0.000 -1.737) 1.737 9.314 ( 0.000 0.000 1.322) 1.322 9.317 ( 0.000 0.000 1.281) 1.281 9.475 ( 0.000 0.000 0.612) 0.612 9.520 ( 0.000 0.000 0.201) 0.201 9.647 ( 0.000 0.000 1.161) 1.161 9.806 ( 0.000 0.000 -1.513) 1.513 9.884 ( 0.000 0.000 -0.822) 0.822 9.910 ( 0.000 0.000 -2.927) 2.927 10.065 ( 0.000 0.000 1.891) 1.891 10.274 ( 0.000 0.000 -3.202) 3.202 10.446 ( 0.000 0.000 -1.113) 1.113 10.550 ( 0.000 0.000 6.723) 6.723 10.561 ( 0.000 0.000 -3.815) 3.815 10.654 ( 0.000 0.000 4.945) 4.945 10.680 ( 0.000 0.000 5.388) 5.388 11.377 ( 0.000 0.000 21.892) 21.892 11.546 ( 0.000 0.000 -13.809) 13.809 12.304 ( 0.000 0.000 0.122) 0.122 12.575 ( 0.000 0.000 1.130) 1.130 12.730 ( 0.000 0.000 -4.311) 4.311 13.099 ( 0.000 0.000 1.811) 1.811 13.211 ( 0.000 0.000 -0.475) 0.475 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 12.466 0.000 14.716) 19.287 0.945 ( 8.499 0.000 18.554) 20.408 1.384 ( 7.177 0.000 26.323) 27.283 1.562 ( -9.413 0.000 4.164) 10.293 1.591 ( -8.879 0.000 3.245) 9.453 1.767 ( 2.305 0.000 -0.412) 2.341 1.906 ( 1.516 0.000 3.148) 3.494 2.026 ( -1.533 0.000 4.969) 5.200 2.148 ( 3.552 0.000 3.444) 4.947 2.265 ( 4.708 0.000 -3.439) 5.830 2.331 ( 6.802 0.000 4.501) 8.156 2.521 ( -2.608 0.000 -5.995) 6.538 2.558 ( -3.315 0.000 -7.709) 8.391 2.877 ( -4.108 0.000 -8.178) 9.152 2.926 ( 3.295 0.000 -3.872) 5.084 3.056 ( 0.803 0.000 0.862) 1.178 3.102 ( 1.719 0.000 1.535) 2.304 3.175 ( -8.838 0.000 -2.763) 9.260 3.246 ( -0.955 0.000 4.360) 4.463 3.290 ( -0.825 0.000 6.572) 6.624 3.361 ( -2.327 0.000 -11.165) 11.405 3.393 ( -2.241 0.000 -1.094) 2.493 3.466 ( -2.905 0.000 -1.119) 3.113 3.514 ( -8.674 0.000 -3.441) 9.332 3.632 ( -0.234 0.000 0.097) 0.254 3.684 ( 2.889 0.000 -4.582) 5.417 3.735 ( 2.507 0.000 -5.007) 5.599 3.746 ( 0.250 0.000 -0.801) 0.839 3.861 ( 7.770 0.000 0.948) 7.828 3.872 ( -1.048 0.000 -2.655) 2.854 3.922 ( -1.151 0.000 0.987) 1.516 4.063 ( -0.608 0.000 -1.847) 1.945 4.065 ( 7.659 0.000 -1.562) 7.817 4.184 ( -0.852 0.000 0.625) 1.056 4.404 ( 4.827 0.000 -4.113) 6.342 4.459 ( -0.020 0.000 1.391) 1.391 4.524 ( 0.759 0.000 0.295) 0.815 4.630 ( -1.967 0.000 -6.134) 6.442 4.633 ( -5.474 0.000 -0.177) 5.477 4.652 ( -4.826 0.000 -2.645) 5.503 4.792 ( 0.045 0.000 2.407) 2.407 4.841 ( 3.314 0.000 4.161) 5.320 4.909 ( 3.636 0.000 4.338) 5.660 4.977 ( -2.299 0.000 -6.327) 6.732 5.180 ( -2.759 0.000 -0.348) 2.781 5.217 ( -5.554 0.000 -0.633) 5.590 5.230 ( 0.136 0.000 -3.715) 3.717 5.417 ( -0.133 0.000 -5.213) 5.214 5.433 ( 4.479 0.000 3.628) 5.764 5.545 ( 3.622 0.000 -4.094) 5.467 5.659 ( -1.958 0.000 0.631) 2.058 5.665 ( 3.774 0.000 -0.953) 3.892 5.780 ( 1.602 0.000 2.423) 2.904 5.942 ( -2.109 0.000 1.438) 2.553 5.947 ( -9.061 0.000 3.266) 9.631 6.045 ( 2.040 0.000 -2.687) 3.374 6.084 ( -3.572 0.000 -5.901) 6.898 6.186 ( -1.439 0.000 -2.419) 2.815 6.404 ( 3.303 0.000 -0.518) 3.343 6.522 ( 2.695 0.000 -1.174) 2.940 6.625 ( 2.386 0.000 -0.733) 2.496 6.915 ( -6.684 0.000 -0.561) 6.707 7.145 ( 5.837 0.000 -5.590) 8.082 7.187 ( 3.753 0.000 -1.614) 4.085 7.415 ( -3.356 0.000 -2.694) 4.304 7.461 ( -4.337 0.000 -5.446) 6.961 7.676 ( 4.919 0.000 1.186) 5.060 7.800 ( 2.575 0.000 0.255) 2.588 8.009 ( 2.324 0.000 6.672) 7.065 8.088 ( 0.077 0.000 5.224) 5.225 8.447 ( -7.211 0.000 0.581) 7.234 8.686 ( -5.339 0.000 -6.146) 8.141 8.930 ( 3.073 0.000 3.582) 4.719 9.166 ( -3.409 0.000 -1.207) 3.617 9.314 ( 0.062 0.000 1.366) 1.367 9.320 ( 0.146 0.000 1.430) 1.438 9.478 ( 0.364 0.000 0.423) 0.558 9.516 ( -0.491 0.000 0.138) 0.510 9.795 ( 2.779 0.000 -1.432) 3.126 9.834 ( 10.935 0.000 -1.849) 11.090 9.926 ( 3.040 0.000 -0.962) 3.188 9.971 ( 6.118 0.000 -2.658) 6.670 10.083 ( 3.257 0.000 0.140) 3.260 10.262 ( -0.997 0.000 -3.558) 3.695 10.456 ( 1.100 0.000 -1.359) 1.748 10.469 ( -6.757 0.000 4.087) 7.897 10.550 ( -1.214 0.000 -3.549) 3.750 10.637 ( -2.892 0.000 4.506) 5.355 10.719 ( 3.757 0.000 7.078) 8.014 11.182 ( -13.200 0.000 8.825) 15.878 11.741 ( 13.405 0.000 -1.129) 13.452 12.278 ( -3.149 0.000 -0.063) 3.149 12.575 ( -0.050 0.000 1.267) 1.268 12.675 ( -4.821 0.000 -1.166) 4.960 13.109 ( 1.114 0.000 1.673) 2.010 13.198 ( -1.255 0.000 0.094) 1.258 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 12.270 0.000 12.781) 17.717 1.147 ( 12.682 0.000 13.279) 18.362 1.338 ( -11.511 0.000 10.139) 15.339 1.386 ( -12.699 0.000 7.983) 15.000 1.598 ( 11.499 0.000 14.659) 18.631 1.759 ( -4.468 0.000 4.349) 6.235 1.943 ( 2.410 0.000 3.442) 4.201 1.989 ( -2.370 0.000 4.127) 4.759 2.243 ( 6.358 0.000 0.782) 6.406 2.358 ( -4.870 0.000 1.139) 5.002 2.362 ( 5.411 0.000 -5.150) 7.470 2.455 ( -4.496 0.000 -5.912) 7.427 2.590 ( 7.694 0.000 -8.236) 11.270 2.754 ( -8.775 0.000 -8.739) 12.384 2.991 ( 3.559 0.000 -1.659) 3.926 3.057 ( -4.089 0.000 -1.270) 4.281 3.084 ( 2.054 0.000 1.562) 2.580 3.116 ( -0.751 0.000 1.899) 2.042 3.240 ( 0.702 0.000 5.022) 5.071 3.266 ( -1.656 0.000 5.616) 5.855 3.322 ( -0.647 0.000 -6.653) 6.684 3.371 ( -5.840 0.000 -4.616) 7.444 3.372 ( 0.378 0.000 -1.131) 1.192 3.406 ( -3.024 0.000 -0.980) 3.179 3.664 ( 2.995 0.000 0.175) 3.000 3.721 ( -2.671 0.000 -0.160) 2.676 3.742 ( 2.831 0.000 -4.420) 5.249 3.768 ( 0.428 0.000 -4.606) 4.626 3.862 ( 0.112 0.000 -3.673) 3.675 3.882 ( -2.166 0.000 -1.225) 2.489 4.010 ( 8.153 0.000 2.045) 8.406 4.088 ( 2.740 0.000 0.404) 2.770 4.126 ( -2.585 0.000 2.732) 3.761 4.145 ( -3.043 0.000 1.294) 3.307 4.484 ( 3.395 0.000 -3.085) 4.587 4.501 ( 5.102 0.000 -4.961) 7.116 4.542 ( -2.799 0.000 -2.495) 3.750 4.544 ( 0.168 0.000 -2.357) 2.363 4.568 ( -3.390 0.000 -3.432) 4.824 4.580 ( -3.488 0.000 -5.406) 6.434 4.783 ( 0.037 0.000 2.260) 2.260 4.829 ( -4.628 0.000 1.393) 4.833 4.996 ( 5.605 0.000 2.587) 6.173 5.000 ( 6.014 0.000 0.124) 6.015 5.107 ( -6.243 0.000 1.076) 6.335 5.114 ( -5.207 0.000 0.658) 5.248 5.275 ( 3.873 0.000 -4.199) 5.712 5.355 ( -4.755 0.000 -3.326) 5.803 5.519 ( 4.762 0.000 2.073) 5.194 5.602 ( -4.013 0.000 1.109) 4.163 5.616 ( 5.817 0.000 -2.199) 6.219 5.735 ( -4.829 0.000 -6.976) 8.485 5.826 ( 3.213 0.000 2.540) 4.096 5.861 ( 5.530 0.000 -0.524) 5.554 5.889 ( -3.372 0.000 2.095) 3.970 5.992 ( -6.468 0.000 -6.326) 9.047 6.094 ( 3.020 0.000 -2.719) 4.064 6.148 ( -2.662 0.000 -2.710) 3.799 6.478 ( 3.918 0.000 -0.946) 4.031 6.531 ( -1.533 0.000 -1.444) 2.105 6.690 ( 4.727 0.000 0.030) 4.727 6.794 ( -6.338 0.000 0.189) 6.341 7.253 ( 5.961 0.000 -6.303) 8.675 7.271 ( 4.921 0.000 -1.486) 5.140 7.353 ( -3.804 0.000 -1.762) 4.193 7.363 ( -5.910 0.000 -6.076) 8.476 7.752 ( 3.842 0.000 3.344) 5.094 7.813 ( -1.969 0.000 4.531) 4.940 8.054 ( 2.190 0.000 6.275) 6.646 8.082 ( -0.865 0.000 5.733) 5.798 8.418 ( 3.997 0.000 -3.423) 5.262 8.546 ( -8.514 0.000 -5.825) 10.316 9.002 ( 4.472 0.000 2.232) 4.998 9.088 ( -4.695 0.000 0.345) 4.707 9.317 ( 0.215 0.000 1.525) 1.540 9.320 ( -0.097 0.000 1.582) 1.585 9.488 ( 0.740 0.000 0.116) 0.749 9.503 ( -0.807 0.000 0.038) 0.808 9.835 ( 3.026 0.000 0.538) 3.074 9.895 ( -2.715 0.000 1.023) 2.901 10.046 ( 7.757 0.000 -2.965) 8.304 10.103 ( 7.568 0.000 -1.257) 7.672 10.139 ( -1.358 0.000 -3.050) 3.339 10.242 ( -4.706 0.000 -1.291) 4.880 10.405 ( 5.045 0.000 -1.323) 5.216 10.484 ( 1.841 0.000 -2.018) 2.732 10.520 ( -1.912 0.000 -2.857) 3.437 10.548 ( -6.963 0.000 1.345) 7.091 10.807 ( 6.150 0.000 7.594) 9.772 10.959 ( -10.532 0.000 6.649) 12.455 11.979 ( 12.120 0.000 0.929) 12.155 12.172 ( -8.487 0.000 0.460) 8.499 12.577 ( 0.440 0.000 1.607) 1.666 12.601 ( -2.592 0.000 1.574) 3.033 13.137 ( 1.741 0.000 1.304) 2.175 13.169 ( -1.747 0.000 0.786) 1.916 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 10.804 15.004) 18.489 0.941 ( 0.000 7.500 20.488) 21.817 1.576 ( 0.000 23.949 21.868) 32.431 1.683 ( 0.000 0.661 -5.713) 5.752 1.725 ( 0.000 2.046 4.903) 5.313 1.906 ( 0.000 18.866 -0.666) 18.877 1.938 ( 0.000 3.887 3.337) 5.123 2.070 ( 0.000 -2.141 5.158) 5.585 2.131 ( 0.000 6.030 6.511) 8.874 2.200 ( 0.000 -2.572 4.713) 5.369 2.321 ( 0.000 7.825 -1.291) 7.931 2.503 ( 0.000 -8.005 -4.795) 9.332 2.683 ( 0.000 10.667 -5.797) 12.141 2.787 ( 0.000 -7.311 -3.617) 8.157 2.799 ( 0.000 -6.375 -4.606) 7.864 3.119 ( 0.000 4.074 1.011) 4.198 3.125 ( 0.000 3.028 2.387) 3.855 3.187 ( 0.000 -2.080 -5.718) 6.084 3.319 ( 0.000 -4.409 -3.571) 5.674 3.323 ( 0.000 2.231 5.045) 5.516 3.392 ( 0.000 5.615 -3.203) 6.465 3.450 ( 0.000 1.430 -2.935) 3.265 3.479 ( 0.000 -1.725 -2.433) 2.983 3.541 ( 0.000 -5.321 -8.970) 10.430 3.630 ( 0.000 -3.832 -2.071) 4.356 3.663 ( 0.000 -1.876 -0.696) 2.001 3.670 ( 0.000 -1.349 -1.284) 1.863 3.777 ( 0.000 2.470 5.248) 5.800 3.806 ( 0.000 5.671 -7.277) 9.226 3.930 ( 0.000 0.061 1.347) 1.349 3.959 ( 0.000 1.484 -0.968) 1.771 3.993 ( 0.000 6.655 -0.201) 6.658 4.123 ( 0.000 5.102 -6.968) 8.636 4.220 ( 0.000 3.693 -0.572) 3.737 4.342 ( 0.000 -1.492 -2.811) 3.182 4.448 ( 0.000 -0.933 3.416) 3.541 4.508 ( 0.000 -1.991 1.322) 2.390 4.566 ( 0.000 -5.437 -3.539) 6.487 4.694 ( 0.000 -1.406 -3.869) 4.117 4.722 ( 0.000 0.666 -0.209) 0.698 4.758 ( 0.000 -0.855 4.703) 4.780 4.803 ( 0.000 -0.862 1.809) 2.004 4.879 ( 0.000 0.142 0.252) 0.289 5.023 ( 0.000 4.471 0.547) 4.504 5.200 ( 0.000 -0.096 -2.025) 2.027 5.232 ( 0.000 -3.491 -2.347) 4.207 5.307 ( 0.000 -4.857 5.689) 7.480 5.309 ( 0.000 -9.030 -1.887) 9.225 5.367 ( 0.000 -4.002 -3.548) 5.349 5.444 ( 0.000 8.743 -5.784) 10.483 5.609 ( 0.000 -7.669 3.030) 8.246 5.654 ( 0.000 -2.965 1.732) 3.433 5.778 ( 0.000 1.947 1.384) 2.389 5.917 ( 0.000 -3.512 0.155) 3.516 5.962 ( 0.000 -4.935 -1.724) 5.227 6.004 ( 0.000 -1.118 -4.114) 4.263 6.145 ( 0.000 1.329 -5.238) 5.404 6.314 ( 0.000 0.628 1.576) 1.696 6.417 ( 0.000 -1.899 -2.686) 3.289 6.446 ( 0.000 4.649 0.480) 4.673 6.706 ( 0.000 10.736 -4.872) 11.789 7.011 ( 0.000 -0.820 3.719) 3.808 7.012 ( 0.000 -2.903 -10.180) 10.586 7.205 ( 0.000 4.629 -1.397) 4.835 7.431 ( 0.000 -3.161 -4.502) 5.501 7.491 ( 0.000 -1.601 -5.938) 6.150 7.525 ( 0.000 -5.710 4.929) 7.543 7.750 ( 0.000 -2.099 -2.917) 3.593 8.037 ( 0.000 4.564 4.091) 6.129 8.132 ( 0.000 4.184 4.069) 5.836 8.545 ( 0.000 -9.310 1.998) 9.522 8.547 ( 0.000 -3.107 -2.372) 3.909 8.929 ( 0.000 2.535 2.085) 3.283 9.136 ( 0.000 -0.764 -0.931) 1.204 9.456 ( 0.000 3.570 1.377) 3.826 9.502 ( 0.000 3.500 1.722) 3.900 9.505 ( 0.000 4.035 0.827) 4.119 9.623 ( 0.000 18.163 -7.452) 19.632 9.678 ( 0.000 2.627 -1.373) 2.964 9.819 ( 0.000 2.434 -2.378) 3.403 9.885 ( 0.000 0.394 -0.707) 0.810 9.964 ( 0.000 5.438 -3.628) 6.537 10.068 ( 0.000 0.443 2.040) 2.087 10.275 ( 0.000 0.228 -3.204) 3.212 10.422 ( 0.000 -2.306 -0.686) 2.406 10.511 ( 0.000 -3.654 -1.968) 4.150 10.528 ( 0.000 -2.324 6.332) 6.745 10.668 ( 0.000 1.244 5.291) 5.436 10.758 ( 0.000 6.433 3.671) 7.407 11.342 ( 0.000 -3.278 20.829) 21.086 11.457 ( 0.000 -8.945 -12.831) 15.641 12.224 ( 0.000 -9.383 0.045) 9.383 12.622 ( 0.000 4.859 1.093) 4.981 12.718 ( 0.000 0.924 -0.859) 1.262 13.098 ( 0.000 -0.159 1.918) 1.924 13.202 ( 0.000 -0.662 0.030) 0.663 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 10.761 7.333 13.702) 18.903 1.012 ( 7.209 7.445 18.038) 20.803 1.580 ( -7.362 7.066 6.083) 11.880 1.643 ( 2.892 17.725 16.094) 24.115 1.660 ( -6.479 2.294 2.380) 7.273 1.874 ( -1.861 15.786 -0.156) 15.896 1.958 ( 2.295 3.175 2.948) 4.903 2.055 ( -0.770 -2.700 3.127) 4.203 2.143 ( 1.867 5.416 5.183) 7.726 2.279 ( 4.266 -3.824 3.192) 6.558 2.383 ( 5.883 7.911 -2.471) 10.164 2.490 ( 0.290 -3.072 -5.721) 6.501 2.668 ( -1.627 11.732 -5.775) 13.177 2.784 ( -1.570 -5.847 -4.887) 7.781 2.826 ( 3.285 -7.329 -2.468) 8.402 3.090 ( -4.797 -1.500 -0.646) 5.068 3.124 ( -2.762 0.727 -0.695) 2.939 3.157 ( 1.958 4.537 1.965) 5.318 3.284 ( -1.878 -0.018 -2.573) 3.186 3.314 ( -0.981 1.766 3.165) 3.754 3.353 ( -4.467 2.199 -2.419) 5.536 3.413 ( -3.650 -1.213 -3.534) 5.223 3.434 ( -2.683 -0.762 -3.318) 4.335 3.536 ( -2.550 0.962 -4.073) 4.901 3.597 ( -0.928 -2.898 -0.434) 3.074 3.693 ( 2.258 -2.414 -1.170) 3.506 3.726 ( 2.864 0.657 -2.240) 3.694 3.749 ( 0.592 1.337 -1.631) 2.191 3.850 ( 2.688 -0.220 -2.223) 3.495 3.916 ( -0.788 2.168 -1.489) 2.746 3.985 ( -1.566 0.513 -0.899) 1.877 4.006 ( 3.471 3.221 1.513) 4.971 4.152 ( 3.995 6.673 -4.819) 9.149 4.223 ( -0.876 3.208 0.203) 3.332 4.379 ( 2.926 -2.197 -3.451) 5.030 4.449 ( 0.651 -1.331 0.265) 1.506 4.516 ( 1.568 -0.897 1.713) 2.490 4.548 ( -2.143 -4.678 -3.354) 6.142 4.631 ( -4.199 -1.756 -1.409) 4.764 4.696 ( -3.618 2.943 -3.607) 5.896 4.784 ( 1.190 -1.158 2.948) 3.383 4.815 ( 2.085 -1.157 3.419) 4.168 4.911 ( 2.349 -1.646 -0.744) 2.963 4.996 ( -2.892 3.291 0.139) 4.383 5.165 ( -2.441 -2.613 0.198) 3.581 5.189 ( -0.663 1.054 -1.119) 1.674 5.274 ( -3.117 -3.445 5.026) 6.844 5.361 ( 0.993 -4.690 -4.594) 6.640 5.435 ( 5.898 -2.264 -4.642) 7.840 5.482 ( 3.139 0.920 -3.750) 4.976 5.587 ( -0.728 -4.980 2.054) 5.436 5.651 ( -0.366 -3.297 1.783) 3.766 5.801 ( 2.115 0.783 1.485) 2.700 5.894 ( -2.127 -2.596 0.496) 3.393 5.926 ( -2.672 -3.482 -2.418) 5.011 6.028 ( 1.066 -1.190 -3.500) 3.847 6.116 ( -3.042 1.606 -4.928) 6.010 6.208 ( -8.449 3.017 -2.646) 9.353 6.382 ( 3.053 -5.421 2.303) 6.634 6.542 ( 2.475 1.465 -0.756) 2.973 6.719 ( 1.353 9.877 -4.339) 10.873 6.903 ( -5.614 -0.606 -2.176) 6.051 7.131 ( 6.545 -1.313 -4.502) 8.051 7.231 ( 2.782 3.989 -1.377) 5.054 7.391 ( -2.336 -2.093 -1.197) 3.357 7.447 ( -4.161 -1.453 -5.151) 6.780 7.600 ( 5.034 -6.300 1.658) 8.233 7.762 ( 0.728 -3.221 -1.545) 3.645 8.063 ( 2.447 4.688 4.536) 6.967 8.141 ( 0.810 4.442 4.155) 6.136 8.416 ( -5.275 -2.704 1.054) 6.020 8.604 ( -1.223 -6.018 -3.917) 7.284 8.929 ( 0.918 2.060 2.373) 3.274 9.111 ( -2.631 -0.650 -0.879) 2.849 9.445 ( -0.715 4.225 1.849) 4.667 9.475 ( -1.757 8.370 1.570) 8.696 9.505 ( -0.022 3.272 0.349) 3.291 9.555 ( -2.170 7.487 -1.942) 8.033 9.814 ( 1.268 0.186 -0.844) 1.534 9.871 ( 9.723 5.100 -5.597) 12.323 9.942 ( 4.590 1.156 -0.546) 4.765 9.995 ( 3.400 2.949 -3.351) 5.611 10.090 ( 3.406 1.185 -0.163) 3.610 10.267 ( -0.535 0.506 -3.705) 3.778 10.424 ( -1.497 -2.363 0.332) 2.817 10.464 ( -3.218 -1.335 2.196) 4.118 10.506 ( -0.707 -2.886 -0.758) 3.067 10.694 ( -1.344 3.333 3.211) 4.820 10.742 ( 1.194 3.188 6.172) 7.049 11.150 ( -12.045 -2.986 7.721) 14.616 11.656 ( 12.906 -8.458 0.293) 15.433 12.187 ( -4.108 -9.990 0.415) 10.809 12.622 ( -0.010 4.890 1.204) 5.037 12.686 ( -2.795 2.533 0.511) 3.806 13.109 ( 1.107 -0.170 1.760) 2.086 13.192 ( -1.019 -0.498 0.299) 1.173 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 10.688 5.871 14.503) 18.948 1.204 ( 13.939 4.807 10.318) 17.996 1.388 ( -11.477 5.709 9.841) 16.160 1.459 ( -12.976 3.157 6.341) 14.783 1.766 ( 6.559 16.513 10.064) 20.420 1.845 ( -2.182 11.987 2.743) 12.489 2.002 ( 2.171 1.922 3.178) 4.302 2.037 ( -1.429 0.273 2.291) 2.714 2.202 ( 4.001 1.498 1.901) 4.675 2.274 ( -3.420 -4.188 0.312) 5.416 2.505 ( 6.007 9.976 -3.435) 12.141 2.551 ( 3.759 3.166 -5.293) 7.223 2.633 ( -0.369 10.239 -6.253) 12.003 2.721 ( -5.631 -1.664 -6.795) 8.981 2.891 ( 3.617 -7.482 -0.455) 8.323 2.969 ( -5.512 -5.857 -0.540) 8.061 3.134 ( 2.171 3.148 1.977) 4.305 3.176 ( -0.943 4.327 2.872) 5.278 3.261 ( -0.339 1.706 0.870) 1.945 3.281 ( -2.120 -0.303 -0.352) 2.170 3.292 ( -0.618 -0.016 -1.349) 1.484 3.328 ( -4.076 -2.408 -3.244) 5.739 3.419 ( 0.861 2.763 -2.530) 3.844 3.465 ( -3.835 4.004 -1.850) 5.845 3.620 ( 2.765 -3.576 -0.142) 4.522 3.676 ( -2.703 -3.808 -0.249) 4.677 3.776 ( 1.984 2.297 -3.965) 4.993 3.788 ( 1.262 1.729 -4.345) 4.843 3.894 ( 1.494 -1.036 -1.684) 2.479 3.910 ( -0.255 2.172 -2.543) 3.354 3.979 ( 2.366 -2.460 0.098) 3.415 4.034 ( -1.382 0.323 4.092) 4.331 4.199 ( 0.140 5.077 0.782) 5.139 4.211 ( 0.131 6.101 -0.146) 6.104 4.411 ( 2.289 -5.025 -3.901) 6.761 4.475 ( -3.932 -3.772 -3.144) 6.291 4.512 ( 3.729 -1.056 -4.879) 6.231 4.549 ( 0.719 -0.318 -1.686) 1.860 4.592 ( 0.366 1.459 -2.476) 2.897 4.629 ( -3.224 3.020 -4.019) 5.972 4.781 ( -0.248 0.016 2.089) 2.104 4.813 ( -3.346 -1.279 2.018) 4.112 4.954 ( 3.912 -2.373 -0.448) 4.598 4.992 ( 0.998 -0.306 1.819) 2.097 5.134 ( -1.392 -1.019 2.229) 2.819 5.145 ( -3.248 1.378 2.658) 4.418 5.273 ( 2.741 -1.012 -1.040) 3.101 5.334 ( -3.296 -0.817 -3.146) 4.629 5.504 ( 2.299 -0.450 -0.877) 2.502 5.522 ( 0.571 -3.808 -1.197) 4.032 5.617 ( 2.615 -3.185 -1.565) 4.408 5.653 ( -0.054 -4.461 -1.315) 4.651 5.810 ( -0.329 -2.767 1.909) 3.378 5.851 ( -3.570 -3.843 0.791) 5.304 5.920 ( 4.135 3.350 -3.669) 6.464 6.009 ( -4.083 1.723 -4.755) 6.500 6.075 ( 0.380 -1.831 -3.422) 3.899 6.109 ( -3.044 -2.271 -3.970) 5.494 6.461 ( 4.818 -3.893 1.623) 6.403 6.536 ( -2.694 -1.193 0.329) 2.965 6.753 ( 2.341 7.002 -3.062) 7.993 6.811 ( -4.160 2.752 -2.191) 5.448 7.246 ( 5.953 -0.890 -5.443) 8.115 7.295 ( 3.663 2.304 -0.917) 4.424 7.351 ( -2.403 -0.009 -0.736) 2.513 7.353 ( -5.684 -1.133 -5.310) 7.860 7.682 ( 4.075 -5.912 2.368) 7.561 7.748 ( -2.571 -5.105 1.777) 5.986 8.110 ( 2.396 4.737 5.263) 7.475 8.144 ( -0.981 4.766 5.023) 6.994 8.405 ( 4.088 -1.127 -3.188) 5.305 8.519 ( -6.772 -2.560 -5.044) 8.824 8.974 ( 3.579 0.304 1.453) 3.875 9.047 ( -4.053 -0.402 -0.102) 4.074 9.442 ( 0.309 6.571 2.324) 6.977 9.452 ( -0.843 8.434 2.283) 8.779 9.509 ( 0.542 2.923 -0.260) 2.984 9.526 ( -1.262 3.936 -0.685) 4.189 9.849 ( 2.905 1.076 0.138) 3.101 9.909 ( -2.917 1.257 0.458) 3.209 10.053 ( 6.755 0.525 -3.330) 7.549 10.109 ( 7.037 0.251 -2.579) 7.499 10.135 ( -1.260 0.017 -2.450) 2.755 10.242 ( -5.433 -0.077 -1.503) 5.637 10.406 ( 5.786 0.222 -1.362) 5.948 10.474 ( 1.462 -1.082 -1.283) 2.226 10.489 ( -0.758 -1.696 -0.976) 2.098 10.589 ( -8.117 2.698 -1.017) 8.614 10.819 ( 5.788 1.464 7.740) 9.775 10.954 ( -9.010 -0.068 6.927) 11.365 11.883 ( 11.530 -9.549 1.782) 15.076 12.070 ( -8.529 -10.330 1.385) 13.468 12.624 ( 0.382 4.914 1.478) 5.145 12.642 ( -1.686 4.449 1.590) 5.017 13.136 ( 1.709 -0.205 1.348) 2.187 13.167 ( -1.635 -0.297 0.816) 1.852 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 16.330 10.308) 19.311 1.143 ( 0.000 13.205 13.472) 18.865 1.704 ( 0.000 1.978 -3.193) 3.756 1.779 ( 0.000 3.217 2.744) 4.228 1.943 ( 0.000 -3.816 2.849) 4.762 2.011 ( 0.000 -3.567 3.190) 4.785 2.068 ( 0.000 11.202 7.229) 13.332 2.098 ( 0.000 -1.856 6.310) 6.577 2.229 ( 0.000 2.926 7.344) 7.906 2.338 ( 0.000 -4.687 0.302) 4.696 2.350 ( 0.000 22.234 -2.597) 22.385 2.464 ( 0.000 6.423 -2.634) 6.942 2.737 ( 0.000 6.396 1.602) 6.593 2.760 ( 0.000 7.875 1.938) 8.110 2.961 ( 0.000 10.821 -4.504) 11.721 3.132 ( 0.000 -0.714 -2.081) 2.200 3.163 ( 0.000 -0.726 -2.549) 2.650 3.228 ( 0.000 4.070 -2.686) 4.877 3.309 ( 0.000 5.374 1.407) 5.555 3.376 ( 0.000 3.997 -1.469) 4.258 3.407 ( 0.000 -7.067 -11.970) 13.900 3.422 ( 0.000 -4.133 0.662) 4.186 3.446 ( 0.000 -2.540 -1.186) 2.803 3.471 ( 0.000 0.476 -3.557) 3.589 3.537 ( 0.000 -4.224 -2.380) 4.848 3.624 ( 0.000 -2.925 0.608) 2.988 3.660 ( 0.000 -0.592 -2.423) 2.494 3.843 ( 0.000 -1.027 -5.272) 5.371 3.844 ( 0.000 4.184 1.070) 4.318 3.953 ( 0.000 2.025 -0.995) 2.256 4.020 ( 0.000 3.770 -0.009) 3.770 4.063 ( 0.000 2.624 -4.231) 4.978 4.265 ( 0.000 4.665 -5.135) 6.937 4.289 ( 0.000 -2.860 -0.218) 2.869 4.312 ( 0.000 4.599 -1.430) 4.816 4.409 ( 0.000 -3.376 2.621) 4.274 4.409 ( 0.000 -7.208 -1.044) 7.283 4.540 ( 0.000 2.916 2.749) 4.007 4.657 ( 0.000 -1.348 -0.699) 1.518 4.666 ( 0.000 -4.599 7.035) 8.405 4.780 ( 0.000 2.097 -5.076) 5.492 4.818 ( 0.000 3.292 1.580) 3.652 4.885 ( 0.000 0.640 -3.495) 3.553 5.065 ( 0.000 -6.380 2.314) 6.786 5.120 ( 0.000 -7.720 0.690) 7.750 5.198 ( 0.000 6.280 2.245) 6.669 5.222 ( 0.000 0.339 -2.015) 2.043 5.246 ( 0.000 -1.113 2.072) 2.352 5.272 ( 0.000 -5.032 -0.542) 5.061 5.441 ( 0.000 -8.614 5.038) 9.979 5.547 ( 0.000 -8.170 -1.058) 8.238 5.574 ( 0.000 3.357 -3.773) 5.050 5.814 ( 0.000 1.531 -0.059) 1.532 5.839 ( 0.000 -3.647 -2.492) 4.417 5.893 ( 0.000 -1.972 2.249) 2.991 6.002 ( 0.000 0.429 -7.381) 7.393 6.145 ( 0.000 -1.488 -5.514) 5.711 6.164 ( 0.000 -11.224 4.890) 12.243 6.446 ( 0.000 2.329 -5.637) 6.099 6.518 ( 0.000 2.189 0.372) 2.220 6.911 ( 0.000 6.193 -5.989) 8.616 6.953 ( 0.000 -2.564 -8.293) 8.680 7.029 ( 0.000 5.055 1.795) 5.364 7.294 ( 0.000 3.475 -1.140) 3.658 7.370 ( 0.000 -2.831 -2.964) 4.099 7.439 ( 0.000 -3.864 -5.649) 6.844 7.442 ( 0.000 -1.274 3.017) 3.275 7.694 ( 0.000 -3.660 -3.563) 5.108 8.136 ( 0.000 5.328 1.326) 5.490 8.222 ( 0.000 4.512 2.638) 5.227 8.421 ( 0.000 -3.988 2.189) 4.549 8.465 ( 0.000 -4.938 -1.808) 5.259 9.013 ( 0.000 6.065 2.305) 6.489 9.209 ( 0.000 7.763 -0.348) 7.771 9.401 ( 0.000 -4.526 3.678) 5.832 9.587 ( 0.000 3.973 0.572) 4.014 9.635 ( 0.000 4.783 0.605) 4.821 9.734 ( 0.000 -1.959 -3.097) 3.665 9.746 ( 0.000 4.394 -3.799) 5.809 9.872 ( 0.000 -0.402 -3.449) 3.472 10.012 ( 0.000 8.010 -4.717) 9.296 10.090 ( 0.000 5.707 -4.433) 7.227 10.107 ( 0.000 5.588 -1.164) 5.708 10.300 ( 0.000 3.402 -4.607) 5.727 10.371 ( 0.000 -2.426 0.232) 2.437 10.435 ( 0.000 -4.310 -0.590) 4.351 10.472 ( 0.000 -2.667 4.821) 5.510 10.699 ( 0.000 2.061 6.598) 6.912 10.889 ( 0.000 5.741 5.141) 7.706 11.218 ( 0.000 -15.066 -10.029) 18.099 11.280 ( 0.000 -1.483 16.276) 16.344 11.956 ( 0.000 -16.545 2.352) 16.711 12.759 ( 0.000 8.967 0.967) 9.019 12.799 ( 0.000 6.517 0.629) 6.547 13.086 ( 0.000 -1.366 2.071) 2.481 13.179 ( 0.000 -2.168 0.293) 2.187 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 3.943 10.852 11.481) 16.283 1.242 ( 7.562 15.152 11.050) 20.221 1.650 ( -6.094 0.891 -0.305) 6.166 1.702 ( -7.480 6.263 5.752) 11.325 1.906 ( -2.234 -6.743 1.129) 7.193 1.964 ( -3.934 -7.038 0.417) 8.074 2.089 ( 2.205 10.400 5.761) 12.092 2.163 ( 4.772 0.407 4.262) 6.411 2.231 ( -0.121 0.917 7.475) 7.532 2.272 ( -3.761 19.047 -1.098) 19.445 2.435 ( 8.321 0.222 0.401) 8.333 2.563 ( 7.176 7.777 -1.940) 10.758 2.732 ( 1.079 4.389 -0.279) 4.528 2.815 ( 3.495 11.227 0.723) 11.781 2.957 ( -0.541 11.691 -4.519) 12.545 3.041 ( -8.643 -1.497 -3.027) 9.280 3.149 ( 0.668 1.454 0.299) 1.628 3.261 ( 1.045 1.300 -5.796) 6.032 3.296 ( -1.087 5.470 0.313) 5.586 3.347 ( -3.971 -0.551 -2.323) 4.634 3.351 ( -4.427 -2.578 -1.380) 5.305 3.370 ( -1.994 1.143 -1.141) 2.566 3.449 ( -0.834 -0.776 -5.912) 6.020 3.514 ( 3.608 -3.222 -2.779) 5.578 3.523 ( -1.277 -3.924 1.029) 4.253 3.654 ( 0.734 -0.546 -2.534) 2.694 3.727 ( 6.292 -1.749 -1.563) 6.715 3.792 ( -3.195 2.950 1.325) 4.546 3.833 ( -0.655 -1.541 -4.543) 4.841 3.946 ( -1.650 1.200 -1.705) 2.659 3.968 ( -2.776 0.557 -1.416) 3.165 4.118 ( 2.620 4.769 0.958) 5.525 4.255 ( -0.213 0.200 -4.476) 4.486 4.290 ( -0.291 2.431 -2.432) 3.451 4.351 ( 1.957 0.005 0.064) 1.958 4.388 ( 0.572 -5.170 -1.697) 5.471 4.459 ( 3.856 -3.831 -0.180) 5.439 4.532 ( -2.153 3.644 1.535) 4.502 4.585 ( -1.898 -1.829 1.698) 3.135 4.711 ( -0.803 -4.238 2.580) 5.026 4.777 ( 0.969 3.806 -2.827) 4.839 4.813 ( 0.126 1.244 1.510) 1.960 4.894 ( 0.570 0.755 -2.987) 3.133 5.046 ( -2.094 -0.097 1.228) 2.429 5.102 ( -1.683 -4.888 2.163) 5.604 5.160 ( -3.073 -3.212 2.889) 5.302 5.245 ( 2.295 3.865 2.529) 5.157 5.276 ( 2.170 -3.245 -1.853) 4.321 5.330 ( 5.750 -5.095 -3.301) 8.361 5.465 ( 2.287 -6.395 3.960) 7.862 5.533 ( -0.671 -6.206 -0.913) 6.309 5.581 ( -0.183 0.688 -3.234) 3.311 5.804 ( -1.417 -0.575 -0.240) 1.548 5.852 ( -3.344 -2.074 1.451) 4.194 5.861 ( 2.674 -0.859 -1.521) 3.194 6.012 ( 0.562 -0.451 -5.442) 5.490 6.111 ( -2.865 -2.909 -4.115) 5.797 6.219 ( 4.986 -9.235 2.259) 10.735 6.286 ( -11.545 4.433 -4.624) 13.203 6.538 ( -1.723 -2.139 -0.459) 2.785 6.901 ( -0.512 3.412 -4.996) 6.071 6.939 ( -0.962 7.873 -5.042) 9.398 7.101 ( 5.879 -1.164 -1.410) 6.157 7.313 ( 1.860 3.017 -0.631) 3.600 7.361 ( -0.424 -0.000 -0.275) 0.505 7.405 ( -3.263 -2.875 -5.556) 7.056 7.489 ( 3.916 -4.142 0.477) 5.720 7.689 ( -0.907 -4.251 -3.147) 5.366 8.164 ( 2.600 5.234 1.530) 6.041 8.228 ( 0.546 4.231 2.656) 5.025 8.366 ( -2.417 -2.188 0.760) 3.348 8.495 ( 0.299 -5.233 -2.466) 5.792 9.019 ( 0.964 6.876 2.017) 7.230 9.186 ( -2.545 7.835 -0.581) 8.258 9.423 ( 2.145 -3.330 2.913) 4.917 9.569 ( -1.920 2.711 0.323) 3.338 9.625 ( -0.703 5.540 0.741) 5.634 9.687 ( -2.173 4.179 -2.324) 5.252 9.794 ( 2.771 -1.536 -2.100) 3.801 9.923 ( 3.789 -1.347 -4.154) 5.782 10.007 ( -0.103 4.611 -1.103) 4.743 10.078 ( 0.441 4.663 -3.882) 6.083 10.150 ( 2.136 4.512 -3.130) 5.892 10.285 ( -0.548 1.270 -4.807) 5.002 10.386 ( -1.188 -1.103 0.644) 1.744 10.421 ( 0.937 -1.904 0.786) 2.263 10.459 ( -0.461 -1.882 1.518) 2.462 10.731 ( 0.620 0.888 4.494) 4.622 10.827 ( -3.700 3.403 5.209) 7.239 11.107 ( -6.182 0.483 3.299) 7.024 11.440 ( 10.685 -12.660 4.730) 17.228 11.916 ( -4.328 -16.553 2.611) 17.307 12.759 ( -0.013 8.921 1.041) 8.982 12.787 ( -1.039 7.189 0.935) 7.323 13.095 ( 1.017 -1.469 1.891) 2.602 13.171 ( -0.864 -2.110 0.458) 2.326 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 9.893 5.465 9.546) 14.794 1.394 ( 7.976 12.753 9.969) 18.046 1.480 ( -10.460 2.289 5.090) 11.856 1.560 ( -8.127 10.237 7.136) 14.892 1.878 ( -0.528 -9.762 -0.584) 9.793 1.897 ( -2.704 -10.197 -0.795) 10.579 2.136 ( 2.481 11.909 3.382) 12.626 2.179 ( -2.424 12.972 1.334) 13.263 2.248 ( 2.436 0.408 4.769) 5.371 2.263 ( 0.500 2.381 3.482) 4.248 2.605 ( 8.924 5.274 -1.412) 10.462 2.669 ( 3.029 9.035 -1.265) 9.613 2.765 ( 2.061 0.635 -0.570) 2.231 2.850 ( -4.925 4.429 -4.277) 7.885 2.888 ( -0.760 5.979 0.118) 6.029 2.936 ( -2.613 15.281 -5.111) 16.323 3.184 ( 2.923 2.144 -0.022) 3.625 3.244 ( -3.443 -0.864 -4.265) 5.548 3.263 ( -0.732 -0.177 -5.060) 5.116 3.285 ( -2.751 1.655 -2.118) 3.846 3.301 ( 0.186 1.899 2.260) 2.957 3.330 ( -2.380 2.549 1.366) 3.746 3.454 ( 1.889 -0.574 -1.680) 2.592 3.500 ( -2.079 -2.257 0.540) 3.115 3.570 ( 2.597 -0.929 -3.176) 4.206 3.621 ( -2.896 0.417 -2.134) 3.622 3.776 ( 2.149 -1.570 -0.899) 2.809 3.815 ( -0.401 -0.097 -3.256) 3.282 3.847 ( 2.481 -1.810 -0.730) 3.157 3.882 ( -3.009 -2.229 -0.833) 3.836 3.983 ( 3.956 1.265 -1.406) 4.385 4.082 ( -5.300 2.068 1.021) 5.780 4.285 ( 0.479 -1.897 -3.223) 3.770 4.307 ( -0.062 1.243 0.308) 1.282 4.328 ( 3.213 -1.239 -1.880) 3.923 4.427 ( -4.021 -2.230 0.411) 4.617 4.480 ( 2.695 0.968 -4.125) 5.022 4.516 ( 0.789 -2.566 -1.922) 3.302 4.609 ( 2.654 0.579 -0.391) 2.744 4.661 ( -3.192 -0.743 -0.333) 3.294 4.792 ( 0.564 2.494 1.319) 2.877 4.812 ( -1.191 1.888 1.366) 2.617 4.928 ( 3.854 0.332 -0.486) 3.898 5.001 ( -3.082 1.116 0.357) 3.297 5.075 ( -0.415 -3.815 2.388) 4.520 5.101 ( -2.925 -3.277 2.248) 4.935 5.284 ( 1.932 1.198 2.089) 3.087 5.304 ( 0.213 -1.496 0.463) 1.581 5.446 ( 5.807 -5.399 -5.331) 9.554 5.504 ( 0.752 -3.764 -1.394) 4.084 5.538 ( 0.908 -6.278 -0.372) 6.354 5.556 ( -1.928 -1.886 -0.599) 2.763 5.772 ( -1.038 -0.455 1.747) 2.083 5.792 ( -2.815 -0.765 2.140) 3.618 5.939 ( 5.455 -0.062 -1.552) 5.672 6.022 ( 0.068 -2.963 -2.710) 4.016 6.049 ( -3.119 -0.452 -5.762) 6.568 6.100 ( -7.401 2.817 -6.366) 10.160 6.333 ( 6.939 -8.175 1.314) 10.803 6.458 ( -6.217 -6.088 0.452) 8.713 6.902 ( 0.640 6.047 -3.746) 7.142 6.920 ( -1.122 8.848 -3.906) 9.736 7.210 ( 5.736 -3.011 -2.700) 7.018 7.309 ( -4.673 -3.328 -1.667) 5.974 7.355 ( 1.255 3.203 -1.580) 3.785 7.369 ( -0.272 2.284 -1.040) 2.524 7.568 ( 4.583 -5.262 -0.520) 6.998 7.648 ( -3.615 -5.024 -1.750) 6.432 8.208 ( 1.849 4.950 2.504) 5.847 8.231 ( -0.575 4.049 2.837) 4.977 8.378 ( 3.588 -1.644 -2.574) 4.712 8.458 ( -3.979 -3.495 -3.613) 6.411 9.056 ( 3.029 7.696 0.879) 8.317 9.123 ( -3.923 7.867 -0.392) 8.800 9.470 ( 2.847 -1.184 1.725) 3.533 9.523 ( -2.833 0.765 0.818) 3.047 9.626 ( 0.864 6.049 0.594) 6.139 9.652 ( -1.752 5.846 -0.013) 6.103 9.851 ( 3.542 -1.400 -1.426) 4.067 9.919 ( -3.346 -1.251 -1.854) 4.025 10.063 ( 4.854 0.984 -1.882) 5.298 10.110 ( 1.545 0.446 -4.316) 4.606 10.154 ( 0.226 1.306 -1.433) 1.952 10.233 ( -5.554 -1.037 -1.514) 5.849 10.412 ( 3.886 0.503 -0.495) 3.949 10.448 ( -0.458 -0.931 0.366) 1.100 10.476 ( 4.601 0.116 -1.717) 4.912 10.617 ( -9.097 -0.698 -1.329) 9.220 10.879 ( 5.982 5.318 7.626) 11.055 10.995 ( -6.291 5.511 6.347) 10.499 11.634 ( 10.136 -15.328 3.571) 18.720 11.802 ( -7.907 -16.293 3.110) 18.375 12.760 ( 0.217 8.733 1.196) 8.817 12.769 ( -0.782 8.206 1.239) 8.336 13.120 ( 1.574 -1.706 1.434) 2.729 13.149 ( -1.478 -1.946 0.890) 2.601 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 16.081 5.711) 17.065 1.462 ( 0.000 17.441 6.557) 18.633 1.743 ( 0.000 -11.081 0.854) 11.114 1.757 ( 0.000 3.397 -0.215) 3.404 1.816 ( 0.000 -16.506 4.602) 17.135 1.841 ( 0.000 -5.666 2.863) 6.348 1.961 ( 0.000 4.184 1.279) 4.375 2.090 ( 0.000 -7.344 -0.359) 7.353 2.280 ( 0.000 2.719 7.036) 7.543 2.323 ( 0.000 -1.558 4.019) 4.310 2.729 ( 0.000 16.001 -4.079) 16.513 2.794 ( 0.000 19.437 -0.137) 19.437 2.938 ( 0.000 9.997 3.723) 10.668 2.995 ( 0.000 9.758 7.335) 12.208 3.012 ( 0.000 -2.925 0.456) 2.960 3.108 ( 0.000 -3.452 -3.894) 5.204 3.159 ( 0.000 1.862 -3.138) 3.649 3.241 ( 0.000 -7.634 -6.304) 9.901 3.285 ( 0.000 -1.148 0.206) 1.167 3.337 ( 0.000 -5.499 -1.133) 5.614 3.363 ( 0.000 1.632 0.070) 1.633 3.405 ( 0.000 2.432 -3.179) 4.003 3.460 ( 0.000 -1.763 -7.503) 7.707 3.470 ( 0.000 -5.513 0.294) 5.521 3.498 ( 0.000 1.781 -4.130) 4.497 3.572 ( 0.000 -7.290 -2.530) 7.716 3.629 ( 0.000 9.158 -4.312) 10.123 3.784 ( 0.000 -5.218 -6.475) 8.316 3.936 ( 0.000 5.174 -1.864) 5.499 3.992 ( 0.000 0.722 -1.249) 1.442 4.108 ( 0.000 5.234 -1.000) 5.328 4.121 ( 0.000 2.845 -7.366) 7.896 4.230 ( 0.000 -2.991 -1.432) 3.317 4.259 ( 0.000 -4.632 0.149) 4.634 4.297 ( 0.000 -1.834 2.468) 3.075 4.317 ( 0.000 -3.873 2.916) 4.848 4.406 ( 0.000 4.144 0.759) 4.213 4.502 ( 0.000 -5.877 4.993) 7.712 4.661 ( 0.000 1.114 3.925) 4.080 4.662 ( 0.000 1.550 5.856) 6.058 4.817 ( 0.000 1.783 -4.999) 5.307 4.873 ( 0.000 -3.623 -4.701) 5.935 4.952 ( 0.000 -0.900 2.366) 2.531 4.963 ( 0.000 8.370 -1.792) 8.560 5.009 ( 0.000 -0.897 -1.392) 1.656 5.167 ( 0.000 -6.128 -2.979) 6.814 5.231 ( 0.000 0.985 -0.023) 0.985 5.235 ( 0.000 0.963 3.517) 3.646 5.308 ( 0.000 -4.457 4.743) 6.508 5.354 ( 0.000 -9.795 -2.180) 10.035 5.396 ( 0.000 10.378 3.982) 11.116 5.559 ( 0.000 -5.050 -0.024) 5.050 5.808 ( 0.000 0.347 -1.390) 1.433 5.826 ( 0.000 -0.546 -0.360) 0.655 5.879 ( 0.000 0.781 2.571) 2.687 5.953 ( 0.000 -7.391 1.009) 7.460 6.038 ( 0.000 1.932 -4.325) 4.737 6.096 ( 0.000 -3.211 -5.943) 6.755 6.491 ( 0.000 2.303 -4.988) 5.494 6.527 ( 0.000 -1.034 -2.258) 2.484 6.928 ( 0.000 -0.125 -4.746) 4.748 6.936 ( 0.000 -0.588 -2.406) 2.477 7.192 ( 0.000 8.820 -3.430) 9.464 7.315 ( 0.000 0.017 -0.666) 0.666 7.327 ( 0.000 -1.685 -0.543) 1.770 7.340 ( 0.000 -6.137 -6.122) 8.668 7.499 ( 0.000 5.533 -0.987) 5.621 7.608 ( 0.000 -5.228 -2.828) 5.944 8.236 ( 0.000 4.909 0.534) 4.938 8.287 ( 0.000 1.340 2.133) 2.519 8.368 ( 0.000 -1.821 0.970) 2.063 8.373 ( 0.000 -3.657 -1.474) 3.943 9.150 ( 0.000 7.663 3.186) 8.299 9.290 ( 0.000 -6.260 4.036) 7.448 9.404 ( 0.000 10.524 -0.170) 10.526 9.582 ( 0.000 -6.271 0.093) 6.272 9.693 ( 0.000 1.856 -0.826) 2.032 9.706 ( 0.000 0.353 -1.615) 1.653 9.818 ( 0.000 2.422 -4.073) 4.739 9.849 ( 0.000 -1.457 -3.976) 4.235 10.086 ( 0.000 2.512 0.009) 2.512 10.126 ( 0.000 -1.159 -1.738) 2.089 10.238 ( 0.000 5.351 -6.052) 8.078 10.329 ( 0.000 -4.318 -5.083) 6.669 10.352 ( 0.000 0.788 0.312) 0.847 10.379 ( 0.000 -1.076 -0.236) 1.102 10.530 ( 0.000 11.411 -1.344) 11.490 10.726 ( 0.000 -2.277 3.823) 4.450 10.915 ( 0.000 -2.598 10.360) 10.680 10.933 ( 0.000 -10.444 -1.170) 10.510 11.365 ( 0.000 10.520 7.115) 12.700 11.633 ( 0.000 -16.049 3.928) 16.522 12.931 ( 0.000 6.387 1.127) 6.486 12.943 ( 0.000 9.054 0.678) 9.079 13.038 ( 0.000 -3.504 1.941) 4.006 13.102 ( 0.000 -5.978 0.582) 6.006 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.007 14.432 5.240) 15.387 1.555 ( 5.686 14.482 6.673) 16.929 1.681 ( -5.364 -1.694 2.555) 6.179 1.697 ( -4.316 -6.003 0.943) 7.453 1.777 ( -5.060 -5.872 0.797) 7.793 1.872 ( 0.370 -3.373 1.633) 3.766 1.933 ( 0.826 -3.929 5.416) 6.742 2.089 ( -0.540 -9.501 2.862) 9.938 2.343 ( 5.297 5.250 4.086) 8.503 2.413 ( 8.302 -2.352 2.734) 9.052 2.638 ( -6.507 15.751 -1.597) 17.117 2.841 ( -0.841 2.782 -2.921) 4.121 2.880 ( -0.048 13.446 3.752) 13.960 2.995 ( -0.723 6.638 1.499) 6.844 3.060 ( 0.829 6.609 0.048) 6.661 3.131 ( 4.377 1.995 -0.949) 4.903 3.170 ( 0.932 0.725 -3.789) 3.969 3.238 ( -1.030 -5.891 -3.341) 6.850 3.257 ( -1.585 -2.004 -1.924) 3.198 3.327 ( -1.705 3.145 -1.365) 3.829 3.355 ( 0.624 -4.986 -4.700) 6.880 3.405 ( -2.046 -0.590 -1.922) 2.869 3.419 ( -1.376 -0.719 -4.016) 4.305 3.483 ( -1.287 0.153 -3.998) 4.203 3.521 ( 2.525 2.995 -0.197) 3.922 3.628 ( 5.162 -6.147 -1.135) 8.107 3.658 ( 3.523 1.985 -2.704) 4.864 3.759 ( -1.620 -5.006 -5.438) 7.567 3.900 ( -3.049 7.275 -1.762) 8.082 3.984 ( -1.022 -0.191 -2.597) 2.797 4.011 ( -5.811 6.235 -2.777) 8.964 4.179 ( -0.214 -6.830 -6.721) 9.584 4.190 ( -2.162 1.503 2.776) 3.826 4.263 ( 0.028 -4.663 1.253) 4.829 4.301 ( -0.653 -2.625 2.636) 3.777 4.307 ( -0.019 -2.015 0.840) 2.183 4.439 ( 3.757 2.908 0.857) 4.828 4.532 ( 2.455 -5.219 3.016) 6.509 4.615 ( -3.397 3.030 3.844) 5.958 4.653 ( -1.663 -1.147 3.601) 4.129 4.841 ( 2.973 3.516 -2.663) 5.319 4.897 ( 1.837 0.509 -4.454) 4.845 4.944 ( 0.050 5.953 -1.265) 6.086 5.008 ( 1.834 -2.763 1.620) 3.691 5.026 ( 2.361 2.142 0.758) 3.277 5.140 ( -3.100 -2.053 -0.204) 3.724 5.213 ( -0.835 -2.297 -2.102) 3.224 5.254 ( 1.208 -1.992 1.131) 2.589 5.306 ( 1.099 -0.599 2.580) 2.868 5.352 ( 0.556 -9.015 -1.772) 9.204 5.436 ( 2.742 5.035 3.349) 6.639 5.549 ( -1.256 -4.597 -0.255) 4.772 5.804 ( -0.265 1.192 -0.691) 1.403 5.828 ( -0.178 -0.667 0.608) 0.920 5.881 ( 1.255 2.195 2.378) 3.471 5.982 ( 0.661 -8.003 3.793) 8.881 6.028 ( -0.140 2.390 -7.435) 7.811 6.096 ( 1.234 -4.218 -5.630) 7.142 6.379 ( -9.552 4.959 -4.444) 11.644 6.471 ( -6.269 -4.387 -2.466) 8.039 6.952 ( 2.945 2.741 -3.236) 5.163 7.002 ( 5.152 -1.826 -3.317) 6.394 7.167 ( -2.377 7.284 -2.370) 8.020 7.295 ( -2.882 -4.894 -0.850) 5.743 7.353 ( 2.294 -0.085 -3.404) 4.106 7.373 ( 4.071 -1.336 -3.040) 5.254 7.495 ( -0.552 4.595 -0.845) 4.704 7.597 ( -1.351 -5.229 -2.678) 6.028 8.254 ( 1.753 3.797 0.223) 4.189 8.292 ( 0.652 1.163 1.315) 1.872 8.339 ( -0.956 0.492 -0.238) 1.101 8.401 ( 0.659 -4.457 -1.346) 4.702 9.175 ( 2.521 8.513 2.647) 9.265 9.321 ( 2.917 -5.252 3.218) 6.815 9.382 ( -2.155 9.297 -0.251) 9.547 9.549 ( -3.159 -5.693 0.222) 6.515 9.705 ( 0.895 2.683 -0.553) 2.882 9.723 ( 1.761 0.497 -2.177) 2.843 9.798 ( -1.130 2.275 -3.559) 4.373 9.866 ( 0.615 -3.921 -3.914) 5.574 10.080 ( -0.131 3.143 0.146) 3.149 10.119 ( -0.370 -0.461 -1.584) 1.690 10.217 ( -2.481 2.454 -3.377) 4.856 10.272 ( -4.007 -2.944 -3.649) 6.167 10.384 ( 2.471 1.170 -0.452) 2.771 10.410 ( 2.312 -1.246 -1.064) 2.833 10.508 ( -1.791 8.132 -0.346) 8.334 10.676 ( -5.875 -7.264 0.633) 9.364 10.905 ( 5.306 7.124 7.777) 11.806 11.088 ( 9.347 -9.050 2.256) 13.205 11.332 ( -3.221 7.971 7.375) 11.327 11.592 ( -4.424 -16.146 3.981) 17.208 12.930 ( -0.025 6.916 1.178) 7.016 12.942 ( -0.175 9.050 0.794) 9.086 13.043 ( 0.578 -3.974 1.784) 4.394 13.096 ( -0.681 -5.867 0.687) 5.946 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 4.498 9.801 4.304) 11.611 1.537 ( -7.727 5.328 3.263) 9.937 1.624 ( 1.257 -6.089 2.382) 6.658 1.671 ( -3.243 -5.216 4.502) 7.615 1.720 ( 3.774 7.062 2.073) 8.271 1.814 ( -4.846 11.398 4.134) 13.057 2.001 ( 4.234 -14.139 4.958) 15.570 2.064 ( -2.385 -12.280 4.712) 13.367 2.439 ( 4.922 9.972 1.634) 11.240 2.528 ( -4.972 13.664 0.012) 14.541 2.582 ( 9.049 -4.965 1.105) 10.381 2.738 ( -7.509 -7.796 -0.237) 10.827 2.938 ( 3.092 14.271 -0.749) 14.621 2.978 ( -1.273 13.393 -0.918) 13.485 3.083 ( 2.494 2.124 -3.185) 4.569 3.142 ( -2.963 0.503 -4.593) 5.489 3.207 ( 0.593 2.719 -3.829) 4.733 3.220 ( -0.817 1.376 -5.368) 5.601 3.259 ( 3.865 -0.363 0.963) 3.999 3.322 ( 1.407 1.641 -1.311) 2.528 3.346 ( -4.300 -0.822 -0.735) 4.439 3.357 ( -0.638 -1.385 -4.836) 5.071 3.410 ( -0.153 -3.100 -1.493) 3.444 3.427 ( -2.915 -0.632 -1.615) 3.392 3.599 ( 5.051 5.514 0.152) 7.479 3.662 ( -0.888 2.960 -2.234) 3.814 3.756 ( 3.287 -5.539 -3.088) 7.143 3.762 ( 1.738 -5.386 -3.193) 6.498 3.860 ( -0.169 7.095 -1.021) 7.170 3.903 ( -4.738 6.111 -1.804) 7.940 3.983 ( 1.771 -2.280 -2.533) 3.840 4.073 ( -6.684 -6.125 -1.662) 9.216 4.212 ( 1.288 -0.827 -0.871) 1.761 4.247 ( -2.477 -0.910 0.368) 2.664 4.290 ( 1.670 -5.597 4.172) 7.177 4.316 ( -0.546 -6.181 1.881) 6.484 4.508 ( 2.958 2.267 -0.374) 3.746 4.552 ( -2.084 3.036 1.798) 4.098 4.580 ( 1.698 -3.568 1.516) 4.232 4.617 ( -2.032 -2.863 2.203) 4.145 4.906 ( 2.827 7.016 -0.454) 7.578 4.932 ( 0.168 8.985 -1.695) 9.145 4.957 ( 3.375 1.540 -1.768) 4.110 5.020 ( -0.769 -1.434 0.179) 1.637 5.045 ( -0.389 2.941 1.161) 3.186 5.077 ( -3.197 2.489 0.172) 4.055 5.212 ( 1.062 -9.538 -0.086) 9.597 5.245 ( -1.883 -8.461 0.555) 8.685 5.368 ( 4.749 0.789 -2.263) 5.319 5.399 ( 3.223 -2.720 -1.109) 4.361 5.460 ( -0.086 -1.220 0.352) 1.272 5.504 ( -3.613 -4.043 -0.354) 5.433 5.809 ( 1.047 3.827 1.633) 4.291 5.825 ( -0.221 3.130 2.476) 3.997 5.908 ( 1.023 -3.020 1.351) 3.463 5.943 ( -3.052 -5.416 1.587) 6.416 6.065 ( 4.648 4.171 -7.277) 9.589 6.180 ( 6.885 -6.925 -2.640) 10.116 6.198 ( -8.955 6.026 -4.980) 11.887 6.328 ( -8.489 -6.965 -2.038) 11.168 7.018 ( 3.871 5.702 -2.590) 7.363 7.074 ( -0.253 5.588 -3.514) 6.605 7.138 ( 2.086 -2.904 -1.158) 3.758 7.220 ( -4.881 -5.724 -1.862) 7.750 7.408 ( 3.146 2.974 -1.602) 4.616 7.443 ( 1.196 3.137 -2.191) 4.009 7.488 ( 1.619 -2.046 -1.381) 2.952 7.553 ( -3.475 -4.868 -2.383) 6.438 8.288 ( 1.640 3.183 0.115) 3.583 8.307 ( -0.035 3.797 -0.180) 3.801 8.342 ( 1.933 -1.871 -1.462) 3.062 8.388 ( -2.029 -3.768 -2.160) 4.794 9.236 ( 3.977 9.891 1.226) 10.731 9.312 ( -3.866 10.255 0.063) 10.960 9.402 ( 4.132 -6.093 1.743) 7.565 9.480 ( -4.145 -5.786 0.810) 7.163 9.725 ( 1.226 4.338 -1.106) 4.642 9.743 ( -0.351 4.320 -2.063) 4.801 9.803 ( 2.091 -2.911 -2.702) 4.489 9.850 ( -2.269 -5.098 -3.382) 6.525 10.101 ( 2.329 2.400 -0.131) 3.347 10.124 ( 0.782 0.459 -1.985) 2.182 10.165 ( -2.223 0.091 -1.162) 2.510 10.195 ( -4.105 -2.629 -1.405) 5.074 10.436 ( 2.406 1.500 -0.472) 2.874 10.457 ( 2.388 0.589 0.019) 2.460 10.480 ( -0.118 1.881 -0.774) 2.038 10.561 ( -5.991 -4.484 -0.276) 7.488 11.042 ( 8.336 11.555 6.278) 15.570 11.173 ( -3.907 11.200 4.138) 12.563 11.330 ( 6.584 -14.150 5.625) 16.589 11.478 ( -7.728 -16.400 4.145) 18.598 12.932 ( 0.199 7.949 1.191) 8.040 12.937 ( -0.321 8.757 1.032) 8.824 13.058 ( 1.046 -4.839 1.400) 5.145 13.079 ( -1.094 -5.503 0.984) 5.696 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 0.000 14.925) 14.925 1.227 ( 0.000 0.000 17.331) 17.331 1.515 ( 0.000 0.000 -9.697) 9.697 1.649 ( 0.000 0.000 -4.510) 4.510 1.804 ( 0.000 0.000 18.688) 18.688 1.856 ( 0.000 0.000 7.615) 7.615 1.970 ( 0.000 0.000 4.946) 4.946 2.157 ( 0.000 0.000 -4.061) 4.061 2.158 ( 0.000 0.000 6.857) 6.857 2.230 ( 0.000 0.000 6.576) 6.576 2.394 ( 0.000 0.000 10.345) 10.345 2.426 ( 0.000 0.000 -6.839) 6.839 2.481 ( 0.000 0.000 -6.507) 6.507 2.769 ( 0.000 0.000 -6.846) 6.846 2.785 ( 0.000 0.000 -5.423) 5.423 3.051 ( 0.000 0.000 -15.331) 15.331 3.061 ( 0.000 0.000 0.848) 0.848 3.094 ( 0.000 0.000 0.034) 0.034 3.296 ( 0.000 0.000 -1.535) 1.535 3.337 ( 0.000 0.000 4.122) 4.122 3.382 ( 0.000 0.000 0.928) 0.928 3.448 ( 0.000 0.000 -7.222) 7.222 3.456 ( 0.000 0.000 3.806) 3.806 3.465 ( 0.000 0.000 -0.645) 0.645 3.595 ( 0.000 0.000 -3.236) 3.236 3.597 ( 0.000 0.000 -4.177) 4.177 3.660 ( 0.000 0.000 -1.704) 1.704 3.668 ( 0.000 0.000 -1.932) 1.932 3.869 ( 0.000 0.000 4.979) 4.979 3.886 ( 0.000 0.000 1.309) 1.309 3.940 ( 0.000 0.000 1.306) 1.306 3.953 ( 0.000 0.000 -0.613) 0.613 4.046 ( 0.000 0.000 -2.372) 2.372 4.112 ( 0.000 0.000 -5.835) 5.835 4.341 ( 0.000 0.000 1.718) 1.718 4.498 ( 0.000 0.000 -1.582) 1.582 4.517 ( 0.000 0.000 1.942) 1.942 4.517 ( 0.000 0.000 -6.790) 6.790 4.644 ( 0.000 0.000 -0.491) 0.491 4.718 ( 0.000 0.000 1.665) 1.665 4.829 ( 0.000 0.000 -0.614) 0.614 4.892 ( 0.000 0.000 -4.757) 4.757 4.917 ( 0.000 0.000 8.447) 8.447 4.984 ( 0.000 0.000 6.147) 6.147 5.149 ( 0.000 0.000 -2.114) 2.114 5.187 ( 0.000 0.000 -4.527) 4.527 5.201 ( 0.000 0.000 -5.017) 5.017 5.280 ( 0.000 0.000 -7.192) 7.192 5.452 ( 0.000 0.000 2.747) 2.747 5.506 ( 0.000 0.000 6.474) 6.474 5.657 ( 0.000 0.000 -5.050) 5.050 5.667 ( 0.000 0.000 -1.697) 1.697 5.816 ( 0.000 0.000 3.174) 3.174 5.955 ( 0.000 0.000 -3.294) 3.294 6.004 ( 0.000 0.000 2.003) 2.003 6.080 ( 0.000 0.000 0.664) 0.664 6.091 ( 0.000 0.000 1.270) 1.270 6.135 ( 0.000 0.000 -4.182) 4.182 6.389 ( 0.000 0.000 0.882) 0.882 6.452 ( 0.000 0.000 -1.274) 1.274 6.634 ( 0.000 0.000 3.900) 3.900 6.867 ( 0.000 0.000 -8.288) 8.288 7.116 ( 0.000 0.000 5.518) 5.518 7.139 ( 0.000 0.000 1.027) 1.027 7.322 ( 0.000 0.000 -7.965) 7.965 7.380 ( 0.000 0.000 -7.602) 7.602 7.667 ( 0.000 0.000 3.238) 3.238 7.745 ( 0.000 0.000 -1.165) 1.165 8.100 ( 0.000 0.000 5.036) 5.036 8.157 ( 0.000 0.000 2.206) 2.206 8.559 ( 0.000 0.000 0.670) 0.670 8.650 ( 0.000 0.000 -3.150) 3.150 8.974 ( 0.000 0.000 4.143) 4.143 9.144 ( 0.000 0.000 -4.008) 4.008 9.338 ( 0.000 0.000 1.047) 1.047 9.340 ( 0.000 0.000 0.990) 0.990 9.490 ( 0.000 0.000 0.956) 0.956 9.520 ( 0.000 0.000 -0.291) 0.291 9.690 ( 0.000 0.000 2.959) 2.959 9.779 ( 0.000 0.000 -1.475) 1.475 9.864 ( 0.000 0.000 -1.072) 1.072 9.868 ( 0.000 0.000 -1.535) 1.535 10.107 ( 0.000 0.000 2.530) 2.530 10.215 ( 0.000 0.000 -3.071) 3.071 10.431 ( 0.000 0.000 -0.281) 0.281 10.491 ( 0.000 0.000 -3.415) 3.415 10.698 ( 0.000 0.000 8.195) 8.195 10.737 ( 0.000 0.000 3.424) 3.424 10.778 ( 0.000 0.000 5.617) 5.617 11.260 ( 0.000 0.000 -15.969) 15.969 11.764 ( 0.000 0.000 18.849) 18.849 12.257 ( 0.000 0.000 -5.950) 5.950 12.599 ( 0.000 0.000 1.278) 1.278 12.657 ( 0.000 0.000 -2.963) 2.963 13.136 ( 0.000 0.000 2.048) 2.048 13.197 ( 0.000 0.000 -1.007) 1.007 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 8.875 0.000 12.924) 15.678 1.271 ( 4.528 0.000 15.514) 16.161 1.526 ( -0.012 0.000 -6.111) 6.111 1.612 ( -3.956 0.000 -1.758) 4.329 1.824 ( 1.941 0.000 16.520) 16.634 1.855 ( 0.620 0.000 9.373) 9.393 1.983 ( 1.528 0.000 4.977) 5.206 2.134 ( -2.292 0.000 6.327) 6.729 2.185 ( 2.814 0.000 -4.829) 5.589 2.211 ( -1.054 0.000 2.684) 2.883 2.399 ( -2.778 0.000 -6.967) 7.501 2.409 ( -4.327 0.000 -6.868) 8.117 2.439 ( 2.403 0.000 6.338) 6.778 2.728 ( -4.226 0.000 -7.154) 8.309 2.855 ( 6.304 0.000 -2.648) 6.837 3.075 ( 1.518 0.000 1.269) 1.979 3.088 ( 2.535 0.000 -10.364) 10.670 3.117 ( 2.020 0.000 -0.036) 2.020 3.194 ( -7.178 0.000 -1.396) 7.313 3.330 ( -0.694 0.000 3.999) 4.059 3.367 ( -1.361 0.000 0.684) 1.523 3.395 ( -6.362 0.000 -7.911) 10.152 3.406 ( -2.992 0.000 2.293) 3.770 3.449 ( -3.011 0.000 -0.477) 3.048 3.615 ( 3.336 0.000 -1.987) 3.883 3.646 ( 1.560 0.000 1.481) 2.151 3.646 ( 2.990 0.000 -3.894) 4.909 3.727 ( 1.423 0.000 -1.632) 2.165 3.842 ( -2.846 0.000 -0.177) 2.851 3.913 ( 5.285 0.000 3.636) 6.415 3.924 ( -3.767 0.000 -1.367) 4.007 4.024 ( 7.177 0.000 -2.458) 7.586 4.042 ( 2.808 0.000 0.535) 2.858 4.170 ( 2.616 0.000 -2.844) 3.864 4.352 ( 1.603 0.000 -0.290) 1.629 4.482 ( -1.365 0.000 -0.430) 1.431 4.505 ( -1.341 0.000 -6.612) 6.747 4.509 ( -1.280 0.000 -0.165) 1.290 4.611 ( -4.672 0.000 -0.348) 4.685 4.654 ( -6.446 0.000 1.439) 6.605 4.838 ( -1.408 0.000 0.181) 1.419 4.865 ( 1.385 0.000 -3.852) 4.094 4.933 ( 1.221 0.000 5.424) 5.560 5.003 ( 2.008 0.000 5.345) 5.710 5.130 ( -1.080 0.000 -3.176) 3.354 5.177 ( -2.398 0.000 -3.309) 4.086 5.203 ( 1.499 0.000 -0.755) 1.678 5.321 ( 2.402 0.000 -5.349) 5.864 5.458 ( 0.503 0.000 -1.581) 1.659 5.520 ( 1.511 0.000 4.937) 5.163 5.624 ( -2.599 0.000 -5.166) 5.783 5.652 ( -1.665 0.000 -1.468) 2.220 5.834 ( 1.912 0.000 3.284) 3.800 5.959 ( -0.284 0.000 -1.243) 1.275 5.992 ( -7.428 0.000 1.868) 7.660 6.006 ( 0.746 0.000 0.193) 0.771 6.031 ( -4.954 0.000 -0.337) 4.965 6.122 ( -1.335 0.000 -3.992) 4.210 6.414 ( 3.076 0.000 1.489) 3.417 6.495 ( 2.201 0.000 -1.873) 2.891 6.656 ( 2.340 0.000 3.594) 4.289 6.851 ( -1.938 0.000 -5.512) 5.843 7.122 ( 0.951 0.000 2.573) 2.743 7.174 ( 3.401 0.000 0.625) 3.458 7.318 ( -0.594 0.000 -6.191) 6.220 7.339 ( -4.103 0.000 -7.149) 8.243 7.722 ( 5.109 0.000 3.045) 5.947 7.800 ( 5.389 0.000 -0.621) 5.424 8.119 ( 1.764 0.000 4.649) 4.972 8.163 ( 0.507 0.000 2.460) 2.511 8.471 ( -7.162 0.000 2.023) 7.442 8.593 ( -6.221 0.000 -4.171) 7.490 8.996 ( 2.095 0.000 3.614) 4.177 9.127 ( -1.785 0.000 -2.807) 3.326 9.339 ( 0.250 0.000 1.197) 1.223 9.345 ( 0.362 0.000 1.057) 1.117 9.489 ( -0.058 0.000 0.712) 0.715 9.514 ( -0.574 0.000 -0.311) 0.653 9.786 ( 4.802 0.000 0.420) 4.821 9.818 ( 8.045 0.000 -0.565) 8.064 9.906 ( 3.296 0.000 -0.708) 3.371 9.935 ( 6.924 0.000 -1.465) 7.077 10.101 ( -0.026 0.000 1.690) 1.691 10.200 ( -1.342 0.000 -3.163) 3.436 10.436 ( 0.562 0.000 -0.568) 0.799 10.485 ( -0.634 0.000 -3.104) 3.168 10.564 ( -9.839 0.000 5.941) 11.494 10.697 ( -5.661 0.000 1.215) 5.790 10.850 ( 4.712 0.000 6.920) 8.372 11.163 ( -8.153 0.000 -8.171) 11.542 11.863 ( 8.774 0.000 11.859) 14.752 12.237 ( -2.346 0.000 -4.946) 5.474 12.600 ( 0.096 0.000 1.288) 1.292 12.643 ( -1.318 0.000 -1.626) 2.093 13.143 ( 0.725 0.000 1.799) 1.939 13.193 ( -0.508 0.000 -0.647) 0.823 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 9.599 0.000 9.155) 13.265 1.381 ( 7.025 0.000 10.764) 12.854 1.473 ( -5.915 0.000 3.151) 6.702 1.511 ( -6.691 0.000 4.405) 8.011 1.867 ( 2.309 0.000 11.147) 11.384 1.881 ( 1.066 0.000 10.527) 10.581 2.024 ( 2.817 0.000 5.098) 5.825 2.081 ( -3.195 0.000 5.632) 6.475 2.223 ( 2.734 0.000 -3.989) 4.836 2.252 ( 4.220 0.000 -6.334) 7.611 2.304 ( -5.606 0.000 -7.394) 9.278 2.332 ( -4.237 0.000 -6.994) 8.178 2.522 ( 5.468 0.000 1.753) 5.742 2.631 ( -5.998 0.000 -3.694) 7.045 2.966 ( 5.227 0.000 -0.189) 5.230 3.053 ( -4.691 0.000 1.311) 4.871 3.114 ( 2.445 0.000 1.686) 2.970 3.143 ( 0.000 0.000 0.894) 0.894 3.169 ( 3.243 0.000 -8.571) 9.165 3.263 ( -6.820 0.000 -7.062) 9.817 3.322 ( 0.432 0.000 2.504) 2.541 3.344 ( -1.060 0.000 0.977) 1.442 3.367 ( -0.988 0.000 1.926) 2.165 3.385 ( -3.039 0.000 -0.796) 3.142 3.678 ( 2.593 0.000 -1.800) 3.157 3.682 ( 2.285 0.000 1.513) 2.741 3.690 ( 1.325 0.000 -2.771) 3.072 3.721 ( -1.604 0.000 -0.074) 1.606 3.810 ( -0.096 0.000 -1.943) 1.945 3.848 ( -3.721 0.000 -2.457) 4.459 4.057 ( 9.170 0.000 2.959) 9.636 4.111 ( 3.896 0.000 2.215) 4.482 4.148 ( 2.807 0.000 -0.424) 2.839 4.170 ( -2.171 0.000 1.151) 2.457 4.405 ( 3.682 0.000 -4.379) 5.722 4.444 ( -2.558 0.000 -0.875) 2.703 4.467 ( -2.793 0.000 -6.028) 6.643 4.478 ( -0.182 0.000 -2.432) 2.438 4.507 ( -4.709 0.000 -2.701) 5.429 4.519 ( -6.593 0.000 -1.819) 6.840 4.834 ( 0.998 0.000 2.014) 2.247 4.859 ( -1.454 0.000 2.667) 3.037 5.007 ( 5.599 0.000 0.236) 5.604 5.054 ( 3.382 0.000 3.198) 4.654 5.096 ( -3.352 0.000 -2.508) 4.186 5.120 ( -3.610 0.000 0.096) 3.611 5.243 ( 3.020 0.000 0.787) 3.121 5.308 ( -3.407 0.000 -1.028) 3.559 5.497 ( 4.014 0.000 -7.676) 8.662 5.559 ( 2.608 0.000 2.017) 3.297 5.575 ( -3.531 0.000 -8.502) 9.207 5.610 ( -2.741 0.000 -0.308) 2.759 5.880 ( 2.883 0.000 3.079) 4.219 5.901 ( -1.000 0.000 2.584) 2.771 5.931 ( -2.415 0.000 2.050) 3.168 5.942 ( -4.289 0.000 -0.155) 4.292 6.040 ( 2.562 0.000 -2.640) 3.679 6.087 ( -2.365 0.000 -3.495) 4.220 6.473 ( 2.783 0.000 0.284) 2.797 6.507 ( -0.769 0.000 -1.211) 1.435 6.716 ( 4.057 0.000 2.453) 4.741 6.794 ( -4.049 0.000 -0.433) 4.072 7.163 ( 3.624 0.000 -2.788) 4.573 7.243 ( 3.561 0.000 -0.985) 3.694 7.248 ( -5.237 0.000 -5.837) 7.842 7.295 ( -2.028 0.000 -3.446) 3.999 7.827 ( 5.609 0.000 4.019) 6.900 7.880 ( 1.209 0.000 2.101) 2.424 8.152 ( 1.511 0.000 3.877) 4.161 8.168 ( -0.206 0.000 3.089) 3.096 8.382 ( -0.636 0.000 -0.404) 0.753 8.457 ( -7.300 0.000 -3.835) 8.246 9.039 ( 2.428 0.000 1.702) 2.965 9.085 ( -2.569 0.000 -0.609) 2.640 9.346 ( 0.353 0.000 1.375) 1.420 9.349 ( 0.040 0.000 1.299) 1.299 9.491 ( 0.349 0.000 0.149) 0.379 9.501 ( -0.754 0.000 -0.246) 0.793 9.858 ( 4.278 0.000 1.963) 4.707 9.925 ( -2.026 0.000 1.760) 2.684 9.988 ( 7.322 0.000 -2.757) 7.824 10.065 ( 2.210 0.000 -3.399) 4.054 10.124 ( 4.374 0.000 1.690) 4.690 10.219 ( 2.372 0.000 -1.678) 2.906 10.400 ( -3.685 0.000 1.425) 3.951 10.451 ( 0.945 0.000 -1.332) 1.633 10.469 ( -0.990 0.000 -2.302) 2.506 10.535 ( -11.191 0.000 -2.759) 11.526 10.932 ( 4.451 0.000 5.508) 7.082 11.026 ( -6.181 0.000 0.920) 6.249 12.031 ( 8.645 0.000 4.194) 9.609 12.164 ( -5.651 0.000 -1.504) 5.848 12.604 ( 0.412 0.000 1.156) 1.227 12.618 ( -1.158 0.000 0.356) 1.211 13.160 ( 1.069 0.000 1.120) 1.548 13.179 ( -0.936 0.000 0.201) 0.957 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 7.274 13.367) 15.219 1.319 ( 0.000 6.763 19.033) 20.199 1.543 ( 0.000 2.754 -8.665) 9.093 1.835 ( 0.000 16.523 -4.684) 17.174 1.844 ( 0.000 -0.455 4.904) 4.925 1.914 ( 0.000 11.931 11.432) 16.524 2.017 ( 0.000 3.084 4.892) 5.783 2.182 ( 0.000 -2.063 6.554) 6.871 2.205 ( 0.000 2.739 -4.031) 4.874 2.269 ( 0.000 8.144 7.884) 11.335 2.396 ( 0.000 -0.727 6.813) 6.852 2.411 ( 0.000 -3.185 -2.050) 3.788 2.562 ( 0.000 10.819 -7.072) 12.925 2.719 ( 0.000 -2.396 -3.125) 3.937 2.723 ( 0.000 -2.999 -3.108) 4.319 2.976 ( 0.000 -2.350 -15.007) 15.190 3.142 ( 0.000 5.370 1.594) 5.602 3.172 ( 0.000 3.388 1.184) 3.589 3.258 ( 0.000 -2.493 -0.850) 2.634 3.345 ( 0.000 -0.981 -0.505) 1.103 3.377 ( 0.000 -1.086 -0.078) 1.088 3.402 ( 0.000 -1.996 -4.884) 5.276 3.462 ( 0.000 0.322 2.494) 2.515 3.470 ( 0.000 -0.370 -0.833) 0.911 3.596 ( 0.000 -2.242 -0.681) 2.343 3.634 ( 0.000 0.053 -2.132) 2.132 3.638 ( 0.000 -0.340 -1.784) 1.816 3.679 ( 0.000 3.966 -5.655) 6.907 3.865 ( 0.000 -0.425 3.665) 3.689 3.930 ( 0.000 0.030 -1.542) 1.542 3.964 ( 0.000 0.576 1.726) 1.820 3.986 ( 0.000 6.223 -0.179) 6.225 4.029 ( 0.000 1.675 -2.381) 2.911 4.157 ( 0.000 4.227 -5.668) 7.071 4.331 ( 0.000 -0.969 1.588) 1.861 4.468 ( 0.000 -4.251 -4.762) 6.383 4.525 ( 0.000 2.125 -0.588) 2.204 4.530 ( 0.000 0.697 4.119) 4.178 4.633 ( 0.000 -1.111 -1.804) 2.119 4.705 ( 0.000 -1.234 -0.288) 1.267 4.835 ( 0.000 0.408 0.492) 0.639 4.849 ( 0.000 -2.137 -2.388) 3.205 4.892 ( 0.000 -2.505 7.934) 8.320 5.073 ( 0.000 6.478 3.915) 7.569 5.133 ( 0.000 0.211 -3.203) 3.210 5.164 ( 0.000 -2.433 -4.538) 5.148 5.244 ( 0.000 -2.915 -5.602) 6.315 5.283 ( 0.000 0.809 -3.146) 3.249 5.385 ( 0.000 -0.632 1.250) 1.401 5.456 ( 0.000 -4.497 5.773) 7.318 5.616 ( 0.000 -4.265 -4.841) 6.451 5.633 ( 0.000 -4.185 -0.657) 4.236 5.823 ( 0.000 -0.022 3.176) 3.176 5.910 ( 0.000 -6.661 -0.220) 6.664 5.952 ( 0.000 -5.011 -1.741) 5.305 5.954 ( 0.000 -0.367 -0.946) 1.015 6.096 ( 0.000 0.290 1.087) 1.126 6.273 ( 0.000 4.524 -5.182) 6.879 6.424 ( 0.000 -4.482 2.525) 5.144 6.456 ( 0.000 4.701 0.506) 4.728 6.668 ( 0.000 5.682 0.451) 5.700 6.840 ( 0.000 -2.113 -8.003) 8.277 7.085 ( 0.000 -1.117 4.180) 4.327 7.205 ( 0.000 4.404 1.827) 4.768 7.302 ( 0.000 -1.730 -7.643) 7.836 7.386 ( 0.000 0.149 -5.918) 5.920 7.606 ( 0.000 -5.463 3.634) 6.561 7.704 ( 0.000 -3.714 -2.086) 4.260 8.124 ( 0.000 2.357 4.411) 5.001 8.187 ( 0.000 2.834 1.521) 3.216 8.529 ( 0.000 -3.047 0.317) 3.063 8.564 ( 0.000 -6.622 -0.050) 6.622 8.970 ( 0.000 1.907 2.700) 3.305 9.100 ( 0.000 -0.026 -2.926) 2.926 9.475 ( 0.000 6.013 0.638) 6.047 9.513 ( 0.000 3.127 -0.854) 3.242 9.530 ( 0.000 3.864 1.040) 4.002 9.540 ( 0.000 13.454 -1.249) 13.512 9.682 ( 0.000 -0.710 1.740) 1.880 9.777 ( 0.000 -0.428 -2.361) 2.399 9.875 ( 0.000 1.674 -0.235) 1.690 9.909 ( 0.000 4.201 -2.239) 4.760 10.111 ( 0.000 0.466 2.521) 2.563 10.216 ( 0.000 0.131 -3.018) 3.021 10.415 ( 0.000 -1.514 0.090) 1.516 10.467 ( 0.000 -2.146 -2.425) 3.238 10.672 ( 0.000 -2.982 8.814) 9.305 10.756 ( 0.000 1.926 3.716) 4.186 10.823 ( 0.000 4.751 3.118) 5.683 11.193 ( 0.000 -6.701 -14.646) 16.106 11.711 ( 0.000 -5.304 17.865) 18.636 12.173 ( 0.000 -8.634 -5.826) 10.416 12.645 ( 0.000 4.742 1.216) 4.896 12.689 ( 0.000 3.704 -1.589) 4.031 13.137 ( 0.000 -0.024 2.095) 2.095 13.195 ( 0.000 -0.259 -0.779) 0.821 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 7.943 6.070 11.855) 15.507 1.357 ( 4.005 6.295 17.620) 19.134 1.553 ( 0.207 2.644 -5.710) 6.296 1.765 ( -7.295 8.973 4.495) 12.407 1.850 ( 1.076 5.721 -0.755) 5.870 1.919 ( 0.383 10.298 9.652) 14.120 2.026 ( 1.190 0.300 3.595) 3.799 2.099 ( -3.868 -4.407 0.686) 5.904 2.250 ( -0.128 9.452 4.424) 10.437 2.288 ( 1.043 3.068 0.925) 3.370 2.390 ( 0.393 2.846 -3.811) 4.772 2.433 ( 3.428 0.610 6.756) 7.600 2.547 ( -1.567 11.718 -7.032) 13.755 2.695 ( -2.668 -1.366 -4.156) 5.124 2.786 ( 5.581 -4.613 -1.315) 7.359 2.997 ( 1.433 -3.641 -10.129) 10.859 3.132 ( -1.993 0.734 1.624) 2.674 3.180 ( -3.363 1.136 -0.467) 3.580 3.204 ( 2.425 4.558 0.355) 5.175 3.309 ( -4.434 -3.760 -3.139) 6.607 3.363 ( -0.639 2.357 -0.013) 2.442 3.385 ( -2.883 -1.890 -2.423) 4.213 3.413 ( -3.442 0.280 2.324) 4.163 3.461 ( -1.677 0.695 -2.597) 3.169 3.603 ( 0.716 -3.287 1.173) 3.562 3.656 ( 3.867 1.854 -1.932) 4.703 3.683 ( 2.056 0.810 -3.101) 3.808 3.690 ( -0.008 0.193 -2.866) 2.873 3.877 ( 2.243 -2.011 3.777) 4.832 3.899 ( -3.335 3.613 -0.185) 4.920 3.955 ( -2.821 -0.520 -2.046) 3.524 4.014 ( 7.395 1.695 -1.726) 7.781 4.093 ( 5.405 5.660 -0.114) 7.827 4.208 ( 2.833 3.768 -2.990) 5.582 4.322 ( -0.235 -2.361 -0.430) 2.411 4.457 ( -1.393 -3.992 -4.317) 6.042 4.494 ( -2.999 -0.053 1.988) 3.598 4.535 ( -0.013 2.047 0.074) 2.048 4.599 ( -3.258 -0.911 -1.438) 3.676 4.647 ( -5.841 -0.312 -1.254) 5.982 4.818 ( -0.692 -0.878 0.024) 1.118 4.862 ( 1.480 -0.125 -2.138) 2.603 4.916 ( 1.348 -1.663 6.359) 6.710 5.044 ( -1.254 1.539 3.005) 3.602 5.143 ( 0.803 2.213 -1.999) 3.089 5.181 ( 1.209 0.505 0.667) 1.471 5.277 ( 1.812 -3.651 -4.247) 5.886 5.295 ( 0.397 6.246 -5.520) 8.345 5.369 ( 0.049 -6.615 1.255) 6.733 5.468 ( 0.873 -4.118 1.794) 4.576 5.589 ( -1.701 -3.206 -2.541) 4.431 5.631 ( -0.879 -3.339 -2.366) 4.186 5.845 ( 2.167 -0.608 2.970) 3.727 5.888 ( -1.909 -4.839 -0.069) 5.203 5.915 ( -2.300 -3.483 0.099) 4.175 5.985 ( 1.162 -2.046 -2.548) 3.469 6.059 ( -3.463 0.576 -0.011) 3.510 6.154 ( -8.342 2.161 -3.019) 9.131 6.439 ( 2.582 -2.375 3.168) 4.727 6.522 ( 2.805 1.955 -1.328) 3.668 6.682 ( 1.593 5.169 0.333) 5.419 6.823 ( -1.873 -1.649 -5.542) 6.078 7.114 ( 2.592 -0.242 2.095) 3.342 7.223 ( 2.077 3.937 0.805) 4.523 7.299 ( -0.857 -1.149 -6.637) 6.790 7.355 ( -2.695 0.752 -4.893) 5.637 7.653 ( 4.411 -6.292 3.174) 8.314 7.738 ( 3.296 -5.349 -1.246) 6.405 8.148 ( 2.382 2.662 3.992) 5.357 8.198 ( 1.084 3.029 1.692) 3.635 8.446 ( -6.021 -2.394 2.121) 6.818 8.544 ( -3.822 -4.169 -2.785) 6.304 8.974 ( 0.645 0.894 2.582) 2.807 9.080 ( -1.962 -0.438 -2.348) 3.091 9.473 ( -0.122 5.324 1.037) 5.426 9.494 ( -0.567 6.878 -0.065) 6.902 9.516 ( -0.794 4.655 1.211) 4.875 9.540 ( -0.728 6.911 -0.068) 6.949 9.797 ( 2.953 0.462 -1.054) 3.169 9.804 ( 9.538 -1.050 -1.605) 9.729 9.932 ( 4.542 1.871 -0.512) 4.939 9.946 ( 4.095 2.404 -1.763) 5.065 10.106 ( 0.103 0.653 1.671) 1.797 10.203 ( -1.053 0.275 -3.153) 3.335 10.422 ( 0.530 -1.272 0.008) 1.378 10.463 ( -0.544 -1.894 -1.847) 2.700 10.559 ( -8.386 -0.857 5.670) 10.159 10.725 ( -6.687 2.444 -0.299) 7.125 10.862 ( 4.435 1.564 6.291) 7.855 11.127 ( -5.580 -3.305 -7.191) 9.684 11.795 ( 7.688 -6.847 11.862) 15.707 12.150 ( -2.607 -8.859 -4.629) 10.329 12.646 ( 0.096 4.740 1.212) 4.893 12.679 ( -0.960 3.991 -0.763) 4.175 13.143 ( 0.692 -0.056 1.837) 1.964 13.191 ( -0.481 -0.245 -0.480) 0.722 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 9.183 4.744 8.069) 13.113 1.459 ( 6.749 5.135 13.540) 15.977 1.513 ( -4.776 3.807 2.391) 6.559 1.609 ( -8.741 5.460 8.766) 13.530 1.884 ( 2.258 6.383 1.433) 6.920 1.917 ( -0.989 7.163 5.489) 9.079 2.044 ( 0.498 -6.481 -0.803) 6.550 2.058 ( -0.921 -5.040 -0.533) 5.151 2.251 ( 0.576 9.958 3.136) 10.456 2.269 ( -1.411 6.361 1.297) 6.643 2.441 ( 3.714 11.521 -4.395) 12.878 2.502 ( -1.865 9.848 -3.843) 10.734 2.518 ( 4.227 3.157 -1.171) 5.405 2.620 ( -5.334 0.078 -3.174) 6.208 2.889 ( 5.122 -5.743 0.765) 7.733 2.973 ( -4.006 -5.435 0.820) 6.801 3.113 ( 2.536 -2.448 -6.299) 7.218 3.181 ( -1.095 2.452 -1.643) 3.148 3.217 ( -2.273 -1.565 -2.222) 3.543 3.239 ( -0.097 4.822 1.476) 5.044 3.327 ( -0.729 -0.216 1.398) 1.591 3.355 ( -2.213 0.447 1.249) 2.580 3.375 ( 0.630 1.157 -1.099) 1.716 3.413 ( -2.950 2.411 -3.140) 4.937 3.628 ( 1.908 -4.286 0.879) 4.773 3.668 ( -2.033 -4.189 -0.731) 4.713 3.712 ( 1.851 2.540 -2.242) 3.860 3.719 ( 1.309 2.213 -2.646) 3.690 3.857 ( -0.865 2.858 -1.524) 3.352 3.871 ( -2.085 1.365 -1.667) 2.998 4.012 ( 7.539 -3.225 3.516) 8.922 4.118 ( -0.259 0.557 3.643) 3.694 4.197 ( 4.530 4.833 -0.513) 6.644 4.215 ( 1.599 3.708 0.904) 4.138 4.337 ( 0.161 -2.994 -4.083) 5.066 4.401 ( -5.411 -4.107 -4.979) 8.422 4.442 ( 0.612 -1.628 -1.583) 2.351 4.511 ( -4.534 -0.280 -2.607) 5.238 4.542 ( -0.961 2.592 -2.173) 3.516 4.556 ( -2.178 4.080 -3.025) 5.526 4.825 ( 1.256 -0.190 2.005) 2.374 4.855 ( -1.706 0.106 2.050) 2.669 4.969 ( 3.996 -2.152 2.164) 5.028 5.027 ( -1.719 -1.754 1.438) 2.846 5.167 ( 1.787 1.162 1.075) 2.387 5.192 ( -0.427 3.297 2.979) 4.464 5.271 ( -1.096 0.342 0.393) 1.214 5.278 ( -1.115 4.264 -2.608) 5.121 5.424 ( 4.090 -6.376 -6.775) 10.163 5.473 ( -0.856 -5.341 -3.751) 6.582 5.575 ( 0.383 -1.750 -2.172) 2.816 5.602 ( -2.051 -2.054 -2.400) 3.766 5.847 ( -0.798 -3.398 1.849) 3.950 5.868 ( -2.473 -3.161 1.085) 4.157 5.905 ( 3.520 0.426 1.330) 3.787 5.976 ( -3.762 -0.843 0.571) 3.897 6.012 ( 0.855 -0.854 -3.219) 3.439 6.050 ( -3.210 -2.416 -2.697) 4.839 6.496 ( 3.090 -1.514 1.763) 3.867 6.536 ( -0.987 0.400 -0.366) 1.126 6.722 ( 2.627 3.174 -0.108) 4.122 6.775 ( -3.003 0.105 -1.768) 3.486 7.169 ( 3.503 0.468 -2.256) 4.193 7.243 ( -4.114 -0.045 -5.038) 6.504 7.276 ( 2.698 2.846 -1.010) 4.050 7.318 ( -1.674 1.900 -2.576) 3.612 7.740 ( 4.421 -7.660 3.235) 9.418 7.784 ( 0.357 -8.015 1.419) 8.147 8.196 ( 2.329 3.373 3.548) 5.422 8.218 ( 0.382 3.680 2.572) 4.507 8.372 ( -0.391 -0.926 -0.324) 1.056 8.441 ( -6.238 -1.540 -3.367) 7.254 8.997 ( 1.793 -0.553 1.121) 2.186 9.037 ( -2.470 -0.879 -0.850) 2.756 9.478 ( 0.721 5.580 1.395) 5.797 9.494 ( -0.581 9.340 1.922) 9.553 9.503 ( 0.337 2.039 -0.357) 2.097 9.521 ( -1.181 5.508 0.046) 5.633 9.863 ( 4.317 -0.051 1.458) 4.557 9.932 ( -1.764 -0.519 1.946) 2.677 9.980 ( 6.269 0.197 -4.112) 7.500 10.049 ( 1.679 -1.304 -3.633) 4.209 10.132 ( 4.028 0.838 1.576) 4.406 10.217 ( 0.727 -0.070 -1.534) 1.699 10.398 ( -0.565 0.106 0.992) 1.147 10.452 ( 0.506 -0.180 -0.884) 1.035 10.467 ( -1.278 -0.148 -1.152) 1.727 10.547 ( -11.443 1.077 -3.598) 12.043 10.945 ( 4.430 1.472 5.416) 7.150 11.029 ( -4.880 0.587 1.389) 5.108 11.947 ( 8.061 -8.472 4.511) 12.534 12.075 ( -5.633 -9.058 -1.035) 10.716 12.649 ( 0.361 4.706 1.083) 4.843 12.661 ( -0.888 4.482 0.501) 4.597 13.160 ( 1.022 -0.128 1.153) 1.546 13.178 ( -0.891 -0.200 0.273) 0.953 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 12.301 9.788) 15.720 1.435 ( 0.000 5.761 16.599) 17.571 1.620 ( 0.000 5.161 -5.830) 7.787 1.837 ( 0.000 -0.622 1.831) 1.934 2.004 ( 0.000 -4.617 3.859) 6.018 2.040 ( 0.000 -2.624 -1.634) 3.091 2.129 ( 0.000 -2.939 -0.810) 3.049 2.139 ( 0.000 -5.027 -2.105) 5.450 2.272 ( 0.000 15.154 0.850) 15.178 2.390 ( 0.000 7.316 3.303) 8.027 2.423 ( 0.000 7.371 9.338) 11.897 2.463 ( 0.000 7.186 3.792) 8.125 2.730 ( 0.000 8.699 -3.311) 9.308 2.812 ( 0.000 13.887 2.793) 14.165 2.883 ( 0.000 15.380 -2.922) 15.655 2.966 ( 0.000 0.603 -15.063) 15.075 3.153 ( 0.000 -3.294 2.029) 3.868 3.210 ( 0.000 -0.646 0.858) 1.073 3.274 ( 0.000 -3.155 -1.363) 3.437 3.305 ( 0.000 6.614 -1.518) 6.786 3.328 ( 0.000 -3.653 -1.431) 3.924 3.395 ( 0.000 -0.302 -4.613) 4.623 3.434 ( 0.000 -3.429 0.143) 3.432 3.464 ( 0.000 -0.256 -0.670) 0.717 3.509 ( 0.000 -5.254 1.342) 5.423 3.615 ( 0.000 -1.773 -2.752) 3.274 3.651 ( 0.000 -0.723 1.741) 1.886 3.731 ( 0.000 -0.327 -4.738) 4.749 3.855 ( 0.000 -0.157 -0.392) 0.422 3.961 ( 0.000 2.879 -4.101) 5.011 3.975 ( 0.000 0.658 0.599) 0.890 3.991 ( 0.000 0.607 -1.694) 1.799 4.201 ( 0.000 7.858 -1.664) 8.032 4.246 ( 0.000 3.056 -3.187) 4.415 4.320 ( 0.000 1.295 1.186) 1.756 4.381 ( 0.000 -4.224 -1.910) 4.636 4.494 ( 0.000 -4.407 6.024) 7.464 4.581 ( 0.000 4.708 1.615) 4.977 4.645 ( 0.000 3.245 -1.061) 3.414 4.693 ( 0.000 0.438 -4.264) 4.286 4.800 ( 0.000 -4.817 6.837) 8.363 4.833 ( 0.000 0.101 -1.219) 1.223 4.855 ( 0.000 -0.092 2.063) 2.065 5.049 ( 0.000 -7.095 -3.657) 7.982 5.150 ( 0.000 -3.116 -0.471) 3.151 5.163 ( 0.000 -0.686 -3.345) 3.414 5.166 ( 0.000 -2.793 0.175) 2.799 5.266 ( 0.000 6.091 2.077) 6.435 5.365 ( 0.000 -4.025 3.802) 5.537 5.474 ( 0.000 -0.166 -2.553) 2.559 5.495 ( 0.000 -7.556 -2.460) 7.947 5.534 ( 0.000 -1.193 0.130) 1.200 5.806 ( 0.000 -3.407 -0.851) 3.512 5.819 ( 0.000 0.335 0.117) 0.355 5.894 ( 0.000 -2.428 -3.035) 3.887 5.934 ( 0.000 -1.666 0.518) 1.745 6.084 ( 0.000 -1.388 0.563) 1.498 6.279 ( 0.000 -9.170 6.450) 11.211 6.313 ( 0.000 1.166 -7.483) 7.573 6.496 ( 0.000 -1.292 -3.043) 3.306 6.825 ( 0.000 8.014 -3.063) 8.580 6.828 ( 0.000 1.582 -4.338) 4.618 7.080 ( 0.000 0.816 3.344) 3.442 7.265 ( 0.000 -2.034 -6.552) 6.860 7.287 ( 0.000 3.481 0.637) 3.539 7.372 ( 0.000 -1.621 -2.795) 3.232 7.504 ( 0.000 -3.730 3.341) 5.008 7.626 ( 0.000 -3.898 -3.449) 5.205 8.185 ( 0.000 3.771 3.225) 4.962 8.253 ( 0.000 3.564 0.460) 3.594 8.452 ( 0.000 -4.570 0.150) 4.572 8.454 ( 0.000 -4.498 1.097) 4.630 9.061 ( 0.000 7.030 2.919) 7.612 9.185 ( 0.000 8.226 -2.409) 8.571 9.470 ( 0.000 -2.815 3.509) 4.498 9.574 ( 0.000 3.295 -1.931) 3.819 9.657 ( 0.000 2.147 1.621) 2.690 9.683 ( 0.000 3.474 -2.292) 4.162 9.684 ( 0.000 -0.842 -1.891) 2.071 9.781 ( 0.000 0.979 -4.996) 5.091 9.964 ( 0.000 7.396 -0.462) 7.411 10.018 ( 0.000 6.112 -3.129) 6.866 10.127 ( 0.000 1.227 1.879) 2.244 10.221 ( 0.000 0.380 -3.459) 3.480 10.383 ( 0.000 -1.384 0.990) 1.702 10.424 ( 0.000 -1.746 -0.738) 1.896 10.588 ( 0.000 -5.190 7.326) 8.978 10.800 ( 0.000 1.463 2.969) 3.310 10.949 ( 0.000 7.668 1.407) 7.796 11.026 ( 0.000 -8.717 -9.092) 12.596 11.578 ( 0.000 -7.438 14.673) 16.450 11.942 ( 0.000 -14.284 -3.874) 14.800 12.778 ( 0.000 8.669 0.946) 8.720 12.801 ( 0.000 7.385 -0.251) 7.389 13.126 ( 0.000 -1.395 2.105) 2.525 13.178 ( 0.000 -1.896 -0.472) 1.954 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 3.817 7.955 10.446) 13.674 1.477 ( 4.175 7.687 13.881) 16.408 1.618 ( -0.682 3.771 -3.322) 5.072 1.818 ( -3.659 2.673 5.763) 7.331 1.912 ( -5.986 -8.137 -2.339) 10.368 1.948 ( -5.744 -8.140 -1.592) 10.089 2.140 ( -0.420 7.951 -3.434) 8.671 2.153 ( 0.727 4.743 0.443) 4.819 2.316 ( 3.726 5.541 4.940) 8.306 2.396 ( -0.854 4.413 8.906) 9.976 2.491 ( 6.892 3.487 5.703) 9.601 2.532 ( 6.185 11.649 -1.605) 13.287 2.716 ( -0.533 7.869 -2.868) 8.393 2.824 ( -0.194 12.182 0.512) 12.194 2.864 ( -1.034 15.198 -4.340) 15.839 2.976 ( -0.246 1.260 -9.440) 9.527 3.072 ( -5.247 -4.500 -1.230) 7.021 3.202 ( -1.473 -2.431 -0.952) 2.997 3.246 ( -2.973 -0.520 -1.965) 3.602 3.311 ( 0.747 5.457 0.590) 5.539 3.326 ( -1.001 -2.864 -2.644) 4.025 3.384 ( -0.600 -0.727 -2.429) 2.606 3.413 ( -0.765 -2.010 2.635) 3.401 3.471 ( 0.642 1.343 -1.813) 2.346 3.535 ( 0.539 -4.561 0.242) 4.600 3.607 ( -0.435 -2.265 -2.611) 3.484 3.689 ( 2.921 -0.356 -1.458) 3.284 3.750 ( 1.371 0.743 -3.542) 3.870 3.834 ( 0.953 -2.019 3.260) 3.951 3.935 ( -3.533 0.454 -0.078) 3.563 3.947 ( -2.075 1.165 -0.145) 2.384 4.063 ( 6.820 1.752 -6.704) 9.722 4.224 ( 0.929 4.246 0.993) 4.459 4.277 ( -2.990 1.309 1.031) 3.422 4.303 ( 5.182 2.042 -3.318) 6.484 4.374 ( -1.917 -3.412 -2.003) 4.396 4.480 ( -0.960 -1.698 3.489) 3.998 4.564 ( -2.964 3.021 1.386) 4.454 4.603 ( -2.074 2.277 0.259) 3.091 4.667 ( -2.586 1.720 -4.590) 5.542 4.811 ( 1.041 -0.656 1.775) 2.160 4.859 ( 1.599 -0.461 2.276) 2.820 4.870 ( 2.189 -1.580 3.253) 4.228 5.052 ( -1.250 -0.749 -0.927) 1.727 5.124 ( -1.545 -1.276 0.035) 2.004 5.179 ( 1.862 -8.579 0.046) 8.779 5.194 ( 2.682 -3.142 -4.719) 6.272 5.297 ( 2.408 5.311 1.710) 6.077 5.349 ( -0.889 -2.783 3.585) 4.625 5.464 ( -1.516 -0.005 -3.950) 4.231 5.495 ( 0.273 -6.653 -2.236) 7.024 5.538 ( 0.371 -2.176 -0.679) 2.309 5.797 ( -0.475 -2.169 -0.242) 2.233 5.834 ( 1.103 -0.554 -1.804) 2.186 5.877 ( -0.645 -1.364 1.187) 1.920 5.953 ( 0.887 -1.484 -0.981) 1.988 6.051 ( -3.044 -1.411 -0.901) 3.474 6.191 ( -10.031 2.302 -5.171) 11.518 6.304 ( 2.585 -9.471 5.756) 11.380 6.501 ( -0.933 -4.456 -3.447) 5.711 6.825 ( 0.897 5.903 -2.601) 6.513 6.852 ( 1.020 6.184 -3.723) 7.290 7.112 ( 2.956 -0.055 2.171) 3.668 7.276 ( 0.043 -1.499 -6.171) 6.350 7.301 ( 1.706 3.612 -0.053) 3.995 7.355 ( -0.993 -0.668 -1.608) 2.005 7.528 ( 2.395 -5.290 2.772) 6.435 7.631 ( 0.365 -5.101 -2.832) 5.846 8.209 ( 2.363 3.361 2.719) 4.927 8.261 ( 0.806 3.161 0.632) 3.323 8.391 ( -3.649 -2.912 1.823) 5.012 8.460 ( -1.639 -4.259 -1.585) 4.831 9.059 ( 0.021 7.359 2.316) 7.715 9.159 ( -2.533 8.073 -2.243) 8.753 9.476 ( 0.730 -1.948 2.641) 3.361 9.554 ( -1.521 2.467 -1.669) 3.344 9.649 ( -0.554 4.098 2.063) 4.621 9.672 ( 0.339 3.101 0.488) 3.157 9.751 ( 3.730 -2.887 -2.327) 5.259 9.817 ( 3.981 -0.148 -5.941) 7.153 9.994 ( 3.003 4.959 -0.129) 5.798 10.029 ( 0.301 4.962 -1.954) 5.342 10.130 ( 0.729 1.752 0.583) 1.985 10.208 ( -0.635 0.111 -3.305) 3.368 10.399 ( 1.043 -0.804 0.864) 1.575 10.428 ( 0.496 -1.187 -0.206) 1.303 10.525 ( -5.074 -2.421 5.144) 7.620 10.746 ( -8.252 -1.866 -3.228) 9.055 10.923 ( 2.679 4.667 5.202) 7.484 11.081 ( 1.929 0.604 -3.494) 4.036 11.619 ( 4.266 -10.435 11.441) 16.062 11.914 ( -3.035 -14.599 -2.875) 15.186 12.779 ( 0.058 8.634 0.946) 8.686 12.796 ( -0.463 7.647 0.067) 7.661 13.132 ( 0.585 -1.486 1.852) 2.445 13.174 ( -0.462 -1.890 -0.235) 1.960 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 6.452 2.036 8.909) 11.187 1.561 ( -1.177 3.364 4.447) 5.699 1.579 ( 2.001 5.844 7.761) 9.919 1.693 ( -7.282 5.962 5.733) 11.020 1.866 ( -0.679 -8.340 -0.596) 8.389 1.875 ( -1.919 -9.181 -1.183) 9.454 2.137 ( 0.447 11.636 -3.612) 12.192 2.152 ( -0.768 9.930 -1.783) 10.118 2.368 ( 1.673 1.273 7.126) 7.430 2.385 ( -0.520 1.781 8.557) 8.755 2.611 ( 6.026 9.432 1.899) 11.353 2.644 ( 4.207 11.452 -2.826) 12.524 2.717 ( 0.480 5.685 -4.397) 7.202 2.777 ( -4.506 10.795 -3.349) 12.168 2.864 ( 0.858 9.548 -0.712) 9.613 2.909 ( -4.376 1.226 1.668) 4.841 3.061 ( 2.547 -2.333 -9.304) 9.925 3.129 ( -4.615 -4.022 -7.079) 9.359 3.245 ( 1.818 1.128 1.769) 2.776 3.288 ( -2.481 -0.927 0.695) 2.738 3.330 ( 0.997 1.460 0.957) 2.010 3.357 ( -1.802 -0.638 0.784) 2.066 3.428 ( 2.160 2.836 -1.095) 3.730 3.469 ( -1.443 3.598 -3.764) 5.403 3.542 ( 1.157 -4.240 0.432) 4.416 3.580 ( -2.360 -3.245 -1.958) 4.465 3.744 ( 2.532 -0.102 -1.708) 3.056 3.762 ( 0.291 1.455 -2.063) 2.541 3.860 ( -0.374 -2.062 1.444) 2.545 3.873 ( -2.401 -1.171 -0.045) 2.672 3.982 ( 6.976 0.012 1.908) 7.232 4.131 ( -7.909 -0.269 3.975) 8.856 4.186 ( 6.054 -3.159 -6.338) 9.317 4.296 ( -5.471 -4.259 -2.652) 7.423 4.325 ( 5.319 5.356 0.939) 7.606 4.401 ( 3.781 -1.730 -2.905) 5.073 4.441 ( -3.474 7.975 0.532) 8.715 4.492 ( -3.481 0.102 -0.657) 3.544 4.595 ( 0.532 2.602 -1.047) 2.855 4.620 ( -2.087 2.287 -3.073) 4.362 4.838 ( 1.862 1.314 2.570) 3.435 4.868 ( -0.864 1.333 4.066) 4.365 4.932 ( 4.242 -1.337 1.226) 4.614 5.006 ( -3.336 -0.069 0.266) 3.347 5.115 ( 0.641 -3.545 1.978) 4.110 5.151 ( -2.877 -5.476 2.964) 6.859 5.297 ( 6.046 -4.603 -5.468) 9.362 5.337 ( 1.672 2.850 2.753) 4.301 5.349 ( 0.462 -1.360 -0.522) 1.528 5.410 ( -4.314 -3.010 -5.874) 7.885 5.511 ( 1.423 -4.416 -2.537) 5.288 5.536 ( -0.867 -2.789 -2.381) 3.768 5.803 ( 1.364 -0.277 1.511) 2.054 5.834 ( -1.225 1.057 1.382) 2.128 5.899 ( 2.995 -0.577 -1.314) 3.322 5.954 ( -0.880 -0.309 -2.344) 2.523 5.998 ( -2.125 -1.904 -1.742) 3.343 6.023 ( -6.514 0.540 -2.116) 6.870 6.372 ( 4.456 -9.568 2.652) 10.883 6.453 ( -3.945 -7.877 -0.993) 8.866 6.846 ( 1.096 7.205 -1.991) 7.554 6.859 ( -0.222 7.956 -2.459) 8.331 7.170 ( 3.300 -0.866 -1.067) 3.574 7.236 ( -3.647 -1.272 -4.090) 5.625 7.341 ( 1.945 3.536 -0.666) 4.090 7.356 ( 0.244 1.999 -0.896) 2.205 7.582 ( 3.104 -7.684 1.545) 8.430 7.626 ( -1.339 -7.502 -0.708) 7.653 8.256 ( 2.174 2.677 2.260) 4.123 8.276 ( 0.292 2.175 1.609) 2.721 8.350 ( 0.242 -1.250 -0.332) 1.316 8.402 ( -4.025 -2.316 -2.423) 5.237 9.070 ( 1.285 7.665 0.689) 7.803 9.107 ( -2.702 7.803 -1.149) 8.337 9.497 ( 1.431 -0.572 1.102) 1.894 9.525 ( -1.597 0.861 -0.456) 1.871 9.650 ( 0.616 4.964 1.876) 5.342 9.666 ( -0.890 4.985 1.136) 5.190 9.824 ( 4.147 -4.141 -1.174) 5.977 9.873 ( 0.151 -4.693 -2.981) 5.562 10.024 ( 0.969 3.612 -1.689) 4.103 10.047 ( 0.419 1.674 -2.473) 3.015 10.151 ( 2.714 0.861 1.084) 3.047 10.211 ( -1.196 -0.824 -1.062) 1.800 10.412 ( 2.539 1.211 0.749) 2.912 10.447 ( 1.236 0.132 -0.460) 1.326 10.463 ( -1.074 -0.179 0.316) 1.134 10.564 ( -9.955 0.053 -4.006) 10.731 11.002 ( 4.636 4.963 5.243) 8.580 11.072 ( -2.601 4.750 1.888) 5.735 11.721 ( 6.362 -14.081 5.140) 16.284 11.834 ( -5.516 -15.000 0.128) 15.982 12.781 ( 0.205 8.494 0.879) 8.542 12.787 ( -0.453 8.150 0.595) 8.184 13.146 ( 0.895 -1.677 1.195) 2.245 13.162 ( -0.815 -1.831 0.397) 2.043 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 8.196 7.832) 11.336 1.579 ( 0.000 13.400 5.525) 14.494 1.737 ( 0.000 6.466 -1.858) 6.728 1.762 ( 0.000 -7.338 0.291) 7.344 1.885 ( 0.000 -7.326 1.701) 7.521 1.886 ( 0.000 -13.687 2.481) 13.910 1.987 ( 0.000 1.372 1.618) 2.122 2.064 ( 0.000 -5.399 -2.094) 5.791 2.440 ( 0.000 3.004 9.492) 9.956 2.455 ( 0.000 0.935 9.998) 10.041 2.668 ( 0.000 14.031 -1.250) 14.087 2.726 ( 0.000 11.243 -6.034) 12.760 2.913 ( 0.000 7.134 -7.959) 10.688 2.967 ( 0.000 -0.590 -13.079) 13.092 3.033 ( 0.000 -3.011 2.381) 3.839 3.094 ( 0.000 -3.852 -3.161) 4.983 3.145 ( 0.000 10.902 6.712) 12.803 3.182 ( 0.000 8.695 4.919) 9.990 3.274 ( 0.000 0.716 -3.044) 3.127 3.286 ( 0.000 0.821 -0.599) 1.016 3.368 ( 0.000 -1.779 0.063) 1.781 3.385 ( 0.000 -6.620 -0.601) 6.648 3.386 ( 0.000 0.158 -1.714) 1.721 3.430 ( 0.000 2.765 -2.987) 4.070 3.490 ( 0.000 2.160 0.105) 2.162 3.541 ( 0.000 -5.776 -1.161) 5.892 3.577 ( 0.000 -3.741 0.377) 3.760 3.657 ( 0.000 -6.168 -5.532) 8.285 3.891 ( 0.000 4.114 -3.402) 5.338 3.969 ( 0.000 -2.151 -4.205) 4.723 4.016 ( 0.000 1.796 -3.146) 3.622 4.019 ( 0.000 1.284 -2.292) 2.627 4.241 ( 0.000 -1.216 0.723) 1.415 4.255 ( 0.000 -1.620 -0.287) 1.645 4.344 ( 0.000 1.668 1.800) 2.454 4.380 ( 0.000 0.179 0.264) 0.319 4.458 ( 0.000 4.710 7.025) 8.458 4.604 ( 0.000 -6.930 5.337) 8.747 4.696 ( 0.000 1.545 -4.057) 4.341 4.717 ( 0.000 2.054 0.200) 2.063 4.801 ( 0.000 2.334 5.236) 5.733 4.816 ( 0.000 -2.140 0.694) 2.250 4.898 ( 0.000 8.521 -3.574) 9.240 4.955 ( 0.000 -0.150 -2.258) 2.263 5.031 ( 0.000 -5.047 2.488) 5.626 5.110 ( 0.000 -6.474 -1.980) 6.770 5.190 ( 0.000 1.380 -3.767) 4.012 5.251 ( 0.000 -6.532 -6.187) 8.997 5.326 ( 0.000 0.339 3.525) 3.541 5.376 ( 0.000 -4.705 2.119) 5.160 5.478 ( 0.000 5.948 4.092) 7.220 5.560 ( 0.000 -1.116 -0.079) 1.119 5.783 ( 0.000 0.794 -1.150) 1.397 5.826 ( 0.000 -2.462 0.168) 2.468 5.855 ( 0.000 1.290 -5.777) 5.919 5.897 ( 0.000 -2.113 -1.821) 2.789 6.062 ( 0.000 0.039 3.680) 3.680 6.119 ( 0.000 -6.205 7.649) 9.849 6.353 ( 0.000 3.187 -8.705) 9.270 6.431 ( 0.000 -4.410 -7.341) 8.564 6.881 ( 0.000 2.911 -0.449) 2.946 6.911 ( 0.000 0.606 -0.901) 1.086 7.134 ( 0.000 4.568 -1.665) 4.862 7.217 ( 0.000 -3.312 -5.453) 6.380 7.319 ( 0.000 0.244 0.478) 0.537 7.334 ( 0.000 -1.710 -0.082) 1.712 7.495 ( 0.000 2.381 0.532) 2.440 7.556 ( 0.000 -3.444 -2.513) 4.263 8.264 ( 0.000 4.265 2.080) 4.745 8.313 ( 0.000 1.917 0.446) 1.968 8.366 ( 0.000 -3.496 0.502) 3.532 8.384 ( 0.000 -2.923 0.463) 2.960 9.221 ( 0.000 8.830 4.268) 9.808 9.375 ( 0.000 -1.523 3.512) 3.828 9.381 ( 0.000 5.477 -1.039) 5.575 9.559 ( 0.000 -6.751 -2.773) 7.299 9.675 ( 0.000 2.288 -1.661) 2.828 9.681 ( 0.000 1.725 -0.644) 1.841 9.734 ( 0.000 0.667 -3.787) 3.845 9.762 ( 0.000 -2.458 -4.214) 4.879 10.082 ( 0.000 3.429 -0.343) 3.446 10.098 ( 0.000 1.536 -1.241) 1.975 10.165 ( 0.000 2.958 -1.461) 3.299 10.219 ( 0.000 -1.496 -4.366) 4.615 10.379 ( 0.000 1.150 1.937) 2.253 10.413 ( 0.000 -0.892 1.598) 1.831 10.531 ( 0.000 2.730 1.316) 3.030 10.695 ( 0.000 -10.846 -5.144) 12.004 10.998 ( 0.000 4.741 5.696) 7.411 11.060 ( 0.000 1.334 4.481) 4.676 11.495 ( 0.000 1.691 6.709) 6.919 11.663 ( 0.000 -13.370 -0.795) 13.394 12.949 ( 0.000 7.117 0.709) 7.152 12.954 ( 0.000 8.538 0.408) 8.548 13.074 ( 0.000 -3.967 1.739) 4.332 13.108 ( 0.000 -5.440 -0.017) 5.440 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.20 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -2.142 8.033 6.273) 10.415 1.643 ( -0.300 1.006 0.925) 1.400 1.705 ( -1.808 6.868 2.068) 7.397 1.728 ( -3.721 -3.840 1.274) 5.497 1.811 ( -3.541 -4.380 2.822) 6.300 1.894 ( 2.245 0.556 0.445) 2.355 2.037 ( 3.061 -5.541 4.698) 7.883 2.116 ( 2.999 -7.215 -0.028) 7.813 2.458 ( 1.837 5.162 7.984) 9.683 2.508 ( 5.284 -0.413 7.826) 9.452 2.621 ( -3.553 13.693 0.514) 14.156 2.757 ( 1.615 5.254 -5.434) 7.729 2.903 ( -1.036 7.533 -5.620) 9.456 2.957 ( -1.085 -2.074 -8.151) 8.480 2.989 ( -3.185 2.034 -2.900) 4.763 3.081 ( -1.550 -2.804 -4.266) 5.336 3.136 ( -0.887 10.969 1.938) 11.174 3.169 ( -2.459 8.529 -0.480) 8.890 3.261 ( -1.232 -0.180 0.975) 1.582 3.289 ( 1.229 -1.419 -1.029) 2.141 3.335 ( -1.251 -1.800 0.723) 2.308 3.350 ( -1.808 -0.854 -2.523) 3.219 3.403 ( -0.636 -1.713 -0.753) 1.976 3.423 ( 0.296 -4.229 -1.973) 4.676 3.528 ( 3.351 4.232 0.182) 5.401 3.587 ( 2.868 0.466 -2.358) 3.742 3.635 ( 4.298 -5.008 -0.164) 6.601 3.681 ( 3.315 -6.241 -1.706) 7.270 3.860 ( -2.076 5.590 -2.111) 6.326 3.950 ( -2.845 -0.268 -1.853) 3.406 3.971 ( -2.946 1.370 -0.475) 3.284 4.034 ( 0.522 -4.932 -7.168) 8.717 4.240 ( -0.430 0.224 1.772) 1.837 4.268 ( 0.812 -2.757 -0.212) 2.882 4.330 ( -0.797 2.615 1.597) 3.166 4.367 ( -1.473 -0.649 1.204) 2.010 4.478 ( 2.182 4.433 4.853) 6.925 4.603 ( 0.008 -5.670 4.328) 7.133 4.669 ( -3.991 3.733 1.327) 5.623 4.675 ( -1.788 1.374 -2.371) 3.272 4.829 ( 3.003 1.060 0.153) 3.188 4.841 ( 2.402 -0.639 0.919) 2.650 4.924 ( 2.286 7.934 -0.102) 8.257 5.019 ( 5.163 -0.689 -1.977) 5.571 5.046 ( 0.925 -3.529 2.491) 4.417 5.117 ( 0.204 -4.091 -1.516) 4.368 5.149 ( -3.271 0.691 -3.826) 5.081 5.245 ( -0.423 -9.087 -5.054) 10.406 5.322 ( 0.015 0.508 2.662) 2.710 5.369 ( -0.278 -4.093 1.910) 4.525 5.483 ( -0.544 3.546 1.594) 3.926 5.538 ( -2.194 -1.374 -0.976) 2.767 5.792 ( 1.267 1.630 -0.388) 2.101 5.840 ( 1.472 -2.513 0.672) 2.989 5.872 ( 2.403 3.512 -4.716) 6.352 5.925 ( 1.874 -1.562 -2.306) 3.357 6.028 ( -3.272 0.511 3.000) 4.468 6.119 ( 0.541 -8.273 6.655) 10.632 6.267 ( -7.905 5.252 -6.792) 11.670 6.386 ( -4.646 -6.590 -6.118) 10.122 6.916 ( 3.305 4.048 -0.632) 5.264 6.954 ( 3.842 1.447 -2.020) 4.575 7.133 ( -0.412 3.239 -0.659) 3.331 7.221 ( -0.764 -4.444 -4.769) 6.564 7.336 ( 2.032 0.341 0.151) 2.066 7.346 ( 2.126 -0.356 -0.629) 2.246 7.491 ( -0.529 1.564 0.435) 1.708 7.548 ( -1.075 -3.671 -2.405) 4.518 8.273 ( 1.014 3.206 1.617) 3.731 8.313 ( -0.055 1.369 0.481) 1.452 8.343 ( -1.512 -1.276 0.756) 2.118 8.384 ( -0.688 -3.451 -0.748) 3.597 9.230 ( 1.035 9.509 3.280) 10.112 9.354 ( -2.455 10.769 -2.091) 11.242 9.395 ( 1.752 -6.582 3.810) 7.804 9.535 ( -2.292 -6.389 -1.973) 7.068 9.684 ( 1.109 2.405 -1.219) 2.915 9.698 ( 1.337 1.038 -0.623) 1.804 9.735 ( 0.199 0.088 -2.557) 2.567 9.776 ( 0.926 -3.588 -4.897) 6.141 10.082 ( 0.525 3.332 0.149) 3.376 10.100 ( -0.098 1.658 -0.509) 1.737 10.165 ( -0.459 1.761 -1.700) 2.490 10.198 ( -1.387 -1.314 -3.147) 3.681 10.397 ( 1.596 0.710 1.375) 2.223 10.420 ( 0.990 -0.917 1.196) 1.803 10.511 ( -1.783 3.309 0.845) 3.853 10.639 ( -5.224 -7.870 -3.930) 10.231 11.041 ( 4.808 7.371 6.339) 10.846 11.138 ( 6.505 0.695 1.713) 6.763 11.469 ( -2.568 -1.079 6.941) 7.480 11.627 ( -3.843 -13.847 -0.358) 14.374 12.949 ( 0.072 7.476 0.769) 7.516 12.955 ( 0.014 8.619 0.484) 8.632 13.076 ( 0.244 -4.335 1.563) 4.615 13.104 ( -0.429 -5.456 0.126) 5.474 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.40 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.715 4.437 4.598) 6.942 1.588 ( -5.659 2.432 2.172) 6.531 1.632 ( -0.461 -7.600 -1.028) 7.683 1.667 ( -3.810 -4.847 -1.528) 6.351 1.851 ( 4.690 10.027 7.509) 13.376 1.913 ( -1.301 10.214 4.999) 11.446 2.089 ( 2.937 -10.463 3.615) 11.453 2.133 ( -1.179 -9.480 1.897) 9.740 2.500 ( 2.650 9.493 5.396) 11.236 2.554 ( -3.160 12.398 3.192) 13.187 2.632 ( 7.082 -3.797 4.682) 9.300 2.743 ( -3.884 -5.544 0.508) 6.788 2.891 ( 0.095 8.726 -4.814) 9.966 2.911 ( -2.444 8.008 -5.657) 10.105 2.977 ( 1.555 -0.780 -9.123) 9.287 3.028 ( -3.631 -3.469 -6.803) 8.456 3.126 ( 0.200 10.219 -2.583) 10.543 3.137 ( -0.945 9.547 -2.265) 9.857 3.251 ( 0.688 -1.294 -0.832) 1.685 3.289 ( -2.689 -3.474 -1.536) 4.654 3.318 ( 1.396 1.659 0.236) 2.181 3.341 ( -0.456 0.626 -0.981) 1.250 3.406 ( 0.714 -4.250 0.373) 4.325 3.420 ( -0.605 -5.937 0.418) 5.982 3.586 ( 2.850 6.766 -1.051) 7.416 3.618 ( -0.033 5.116 -2.122) 5.539 3.701 ( 3.258 -4.310 -1.172) 5.528 3.735 ( 0.495 -5.262 -1.266) 5.435 3.847 ( 0.580 4.378 0.233) 4.422 3.880 ( -3.370 2.462 -0.341) 4.188 3.954 ( 1.996 -3.584 -0.827) 4.185 4.017 ( -2.902 -9.390 -3.919) 10.581 4.228 ( 0.272 5.105 1.929) 5.464 4.259 ( -2.039 1.422 0.530) 2.542 4.334 ( 0.778 -3.161 0.404) 3.280 4.344 ( -0.525 -4.068 0.936) 4.207 4.528 ( 3.083 4.445 2.826) 6.103 4.592 ( -3.707 4.221 2.152) 6.016 4.612 ( 0.687 -2.356 1.659) 2.962 4.639 ( -1.918 -0.304 -0.497) 2.005 4.894 ( 3.647 3.872 -0.801) 5.379 4.912 ( 4.429 1.795 0.994) 4.881 4.953 ( 0.587 5.013 0.800) 5.110 5.021 ( -4.219 -0.120 -0.483) 4.248 5.066 ( 0.157 0.697 1.059) 1.278 5.079 ( -1.793 0.692 -0.017) 1.922 5.180 ( 4.375 -8.150 -2.774) 9.657 5.233 ( -1.375 -11.320 -2.246) 11.622 5.345 ( 2.528 1.840 0.164) 3.131 5.380 ( 0.845 0.238 -0.117) 0.886 5.446 ( -1.851 -1.517 -1.526) 2.838 5.483 ( -3.663 -3.403 -2.092) 5.420 5.835 ( 3.255 2.777 1.280) 4.466 5.872 ( 1.140 0.469 2.118) 2.451 5.919 ( -0.290 -1.047 -2.309) 2.552 5.940 ( -0.266 -1.173 -1.962) 2.301 5.981 ( 2.292 6.246 0.933) 6.719 6.107 ( -8.507 7.534 -4.400) 12.186 6.169 ( 4.789 -10.728 1.638) 11.862 6.279 ( -6.461 -9.472 -2.994) 11.850 6.983 ( 3.526 6.615 -1.006) 7.563 7.014 ( 1.304 6.596 -2.597) 7.208 7.124 ( 0.610 -3.200 -0.177) 3.263 7.174 ( -3.653 -5.148 -2.596) 6.825 7.391 ( 3.163 1.915 -0.453) 3.725 7.405 ( 2.848 1.941 -1.546) 3.778 7.476 ( -0.441 -2.303 -0.006) 2.345 7.511 ( -2.871 -4.299 -1.866) 5.496 8.298 ( 1.336 1.621 0.795) 2.246 8.311 ( -0.199 1.523 0.326) 1.570 8.327 ( 0.259 -0.782 -0.173) 0.842 8.357 ( -2.092 -2.321 -1.282) 3.377 9.258 ( 1.963 10.680 1.114) 10.916 9.302 ( -2.801 11.137 -0.988) 11.526 9.436 ( 2.586 -6.526 1.865) 7.263 9.486 ( -2.806 -6.331 -0.267) 6.931 9.706 ( 1.012 2.285 -0.489) 2.547 9.716 ( 0.099 1.482 -0.686) 1.636 9.750 ( 1.718 -2.484 -2.516) 3.931 9.779 ( -0.824 -4.438 -3.811) 5.907 10.097 ( 0.133 2.892 -0.724) 2.984 10.099 ( 0.446 3.563 -0.330) 3.606 10.151 ( 0.165 -0.968 -0.021) 0.982 10.176 ( -1.604 -2.755 -0.711) 3.266 10.435 ( 2.542 1.137 0.385) 2.812 10.454 ( 2.820 -0.491 -0.276) 2.875 10.476 ( -1.971 2.429 0.223) 3.136 10.534 ( -5.534 -2.867 -2.202) 6.610 11.152 ( 6.399 10.436 4.981) 13.216 11.225 ( 0.510 9.709 1.319) 9.812 11.441 ( 1.666 -12.832 5.540) 14.076 11.531 ( -6.137 -15.249 1.256) 16.485 12.951 ( 0.149 8.168 0.801) 8.208 12.954 ( -0.103 8.617 0.668) 8.643 13.083 ( 0.534 -5.005 1.093) 5.151 13.094 ( -0.636 -5.387 0.535) 5.450 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 0.000 -12.295) 12.295 1.308 ( 0.000 0.000 12.295) 12.295 1.500 ( 0.000 0.000 -11.404) 11.404 1.500 ( 0.000 0.000 11.404) 11.404 1.961 ( 0.000 0.000 -1.282) 1.282 1.961 ( 0.000 0.000 1.282) 1.282 2.067 ( 0.000 0.000 -5.217) 5.217 2.067 ( 0.000 0.000 5.217) 5.217 2.292 ( 0.000 0.000 -7.276) 7.276 2.292 ( 0.000 0.000 7.276) 7.276 2.357 ( 0.000 0.000 -6.670) 6.670 2.357 ( 0.000 0.000 6.670) 6.670 2.617 ( 0.000 0.000 -10.755) 10.755 2.617 ( 0.000 0.000 10.755) 10.755 2.792 ( 0.000 0.000 -8.508) 8.508 2.792 ( 0.000 0.000 8.508) 8.508 3.082 ( 0.000 0.000 -1.136) 1.136 3.082 ( 0.000 0.000 1.136) 1.136 3.332 ( 0.000 0.000 -4.762) 4.762 3.332 ( 0.000 0.000 4.762) 4.762 3.385 ( 0.000 0.000 -0.718) 0.718 3.385 ( 0.000 0.000 0.718) 0.718 3.477 ( 0.000 0.000 -1.231) 1.231 3.477 ( 0.000 0.000 1.231) 1.231 3.559 ( 0.000 0.000 -0.161) 0.161 3.559 ( 0.000 0.000 0.161) 0.161 3.645 ( 0.000 0.000 -0.245) 0.245 3.645 ( 0.000 0.000 0.245) 0.245 3.933 ( 0.000 0.000 -1.918) 1.918 3.933 ( 0.000 0.000 1.918) 1.918 3.944 ( 0.000 0.000 -2.859) 2.859 3.944 ( 0.000 0.000 2.859) 2.859 4.019 ( 0.000 0.000 -1.227) 1.227 4.019 ( 0.000 0.000 1.227) 1.227 4.406 ( 0.000 0.000 -4.881) 4.881 4.406 ( 0.000 0.000 4.881) 4.881 4.500 ( 0.000 0.000 -1.712) 1.712 4.500 ( 0.000 0.000 1.712) 1.712 4.703 ( 0.000 0.000 -4.079) 4.079 4.703 ( 0.000 0.000 4.079) 4.079 4.823 ( 0.000 0.000 -1.983) 1.983 4.823 ( 0.000 0.000 1.983) 1.983 5.077 ( 0.000 0.000 -7.764) 7.764 5.077 ( 0.000 0.000 7.764) 7.764 5.098 ( 0.000 0.000 -5.870) 5.870 5.098 ( 0.000 0.000 5.870) 5.870 5.165 ( 0.000 0.000 -3.829) 3.829 5.165 ( 0.000 0.000 3.829) 3.829 5.540 ( 0.000 0.000 -6.210) 6.210 5.540 ( 0.000 0.000 6.210) 6.210 5.609 ( 0.000 0.000 -4.412) 4.412 5.609 ( 0.000 0.000 4.412) 4.412 5.884 ( 0.000 0.000 -3.909) 3.909 5.884 ( 0.000 0.000 3.909) 3.909 6.059 ( 0.000 0.000 -3.605) 3.605 6.059 ( 0.000 0.000 3.605) 3.605 6.099 ( 0.000 0.000 -0.536) 0.536 6.099 ( 0.000 0.000 0.536) 0.536 6.419 ( 0.000 0.000 -2.028) 2.028 6.419 ( 0.000 0.000 2.028) 2.028 6.731 ( 0.000 0.000 -6.258) 6.258 6.731 ( 0.000 0.000 6.258) 6.258 7.196 ( 0.000 0.000 -5.070) 5.070 7.196 ( 0.000 0.000 5.070) 5.070 7.237 ( 0.000 0.000 -7.246) 7.246 7.237 ( 0.000 0.000 7.246) 7.246 7.716 ( 0.000 0.000 -2.032) 2.032 7.716 ( 0.000 0.000 2.032) 2.032 8.163 ( 0.000 0.000 -1.567) 1.567 8.163 ( 0.000 0.000 1.567) 1.567 8.593 ( 0.000 0.000 -2.705) 2.705 8.593 ( 0.000 0.000 2.705) 2.705 9.059 ( 0.000 0.000 -4.738) 4.738 9.059 ( 0.000 0.000 4.738) 4.738 9.349 ( 0.000 0.000 -0.081) 0.081 9.349 ( 0.000 0.000 0.081) 0.081 9.508 ( 0.000 0.000 -0.916) 0.916 9.508 ( 0.000 0.000 0.916) 0.916 9.743 ( 0.000 0.000 -2.476) 2.476 9.743 ( 0.000 0.000 2.476) 2.476 9.853 ( 0.000 0.000 -0.061) 0.061 9.853 ( 0.000 0.000 0.061) 0.061 10.159 ( 0.000 0.000 -2.932) 2.932 10.159 ( 0.000 0.000 2.932) 2.932 10.442 ( 0.000 0.000 -1.589) 1.589 10.442 ( 0.000 0.000 1.589) 1.589 10.771 ( 0.000 0.000 -0.152) 0.152 10.771 ( 0.000 0.000 0.152) 0.152 10.971 ( 0.000 0.000 -14.079) 14.079 10.971 ( 0.000 0.000 14.079) 14.079 12.071 ( 0.000 0.000 -13.519) 13.519 12.071 ( 0.000 0.000 13.519) 13.519 12.621 ( 0.000 0.000 -1.203) 1.203 12.621 ( 0.000 0.000 1.203) 1.203 13.172 ( 0.000 0.000 -1.695) 1.695 13.172 ( 0.000 0.000 1.695) 1.695 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 5.343 0.000 -10.400) 11.693 1.365 ( 5.343 0.000 10.400) 11.693 1.508 ( 0.783 0.000 -9.339) 9.372 1.508 ( 0.783 0.000 9.339) 9.372 1.979 ( 1.901 0.000 -2.631) 3.246 1.979 ( 1.901 0.000 2.631) 3.246 2.084 ( 1.794 0.000 -5.519) 5.803 2.084 ( 1.794 0.000 5.519) 5.803 2.264 ( -2.805 0.000 -7.178) 7.706 2.264 ( -2.805 0.000 7.178) 7.706 2.277 ( -7.129 0.000 -6.008) 9.323 2.277 ( -7.129 0.000 6.008) 9.323 2.592 ( -1.099 0.000 -8.193) 8.266 2.592 ( -1.099 0.000 8.193) 8.266 2.891 ( 7.607 0.000 -7.493) 10.678 2.891 ( 7.607 0.000 7.493) 10.678 3.102 ( 1.981 0.000 -1.388) 2.419 3.102 ( 1.981 0.000 1.388) 2.419 3.255 ( -6.662 0.000 -6.186) 9.091 3.255 ( -6.662 0.000 6.186) 9.091 3.371 ( -1.386 0.000 -0.486) 1.469 3.371 ( -1.386 0.000 0.486) 1.469 3.435 ( -3.211 0.000 -1.266) 3.452 3.435 ( -3.211 0.000 1.266) 3.452 3.605 ( 3.658 0.000 -0.550) 3.699 3.605 ( 3.658 0.000 0.550) 3.699 3.685 ( 2.490 0.000 -2.499) 3.528 3.685 ( 2.490 0.000 2.499) 3.528 3.874 ( -4.592 0.000 -3.111) 5.547 3.874 ( -4.592 0.000 3.111) 5.547 3.976 ( 5.271 0.000 -2.844) 5.989 3.976 ( 5.271 0.000 2.844) 5.989 4.092 ( 4.848 0.000 -4.255) 6.451 4.092 ( 4.848 0.000 4.255) 6.451 4.397 ( -0.866 0.000 -4.534) 4.616 4.397 ( -0.866 0.000 4.534) 4.616 4.486 ( -1.380 0.000 -1.437) 1.992 4.486 ( -1.380 0.000 1.437) 1.992 4.648 ( -7.245 0.000 -2.445) 7.647 4.648 ( -7.245 0.000 2.445) 7.647 4.824 ( 1.691 0.000 -1.477) 2.245 4.824 ( 1.691 0.000 1.477) 2.245 5.051 ( -1.269 0.000 -6.001) 6.134 5.051 ( -1.269 0.000 6.001) 6.134 5.100 ( 0.200 0.000 -4.809) 4.813 5.100 ( 0.200 0.000 4.809) 4.813 5.224 ( 4.187 0.000 -3.856) 5.692 5.224 ( 4.187 0.000 3.856) 5.692 5.509 ( -3.185 0.000 -5.714) 6.541 5.509 ( -3.185 0.000 5.714) 6.541 5.603 ( -0.609 0.000 -3.665) 3.715 5.603 ( -0.609 0.000 3.665) 3.715 5.901 ( 1.693 0.000 -3.692) 4.062 5.901 ( 1.693 0.000 3.692) 4.062 6.023 ( -6.081 0.000 -1.072) 6.175 6.023 ( -6.081 0.000 1.072) 6.175 6.050 ( -0.946 0.000 -3.430) 3.558 6.050 ( -0.946 0.000 3.430) 3.558 6.453 ( 2.504 0.000 -2.406) 3.472 6.453 ( 2.504 0.000 2.406) 3.472 6.744 ( 1.225 0.000 -5.476) 5.612 6.744 ( 1.225 0.000 5.476) 5.612 7.209 ( -2.623 0.000 -6.202) 6.734 7.209 ( -2.623 0.000 6.202) 6.734 7.218 ( 1.879 0.000 -4.022) 4.439 7.218 ( 1.879 0.000 4.022) 4.439 7.773 ( 5.671 0.000 -2.199) 6.082 7.773 ( 5.671 0.000 2.199) 6.082 8.175 ( 1.077 0.000 -1.222) 1.629 8.175 ( 1.077 0.000 1.222) 1.629 8.522 ( -6.700 0.000 -3.332) 7.483 8.522 ( -6.700 0.000 3.332) 7.483 9.065 ( 0.340 0.000 -3.648) 3.664 9.065 ( 0.340 0.000 3.648) 3.664 9.353 ( 0.427 0.000 -0.183) 0.465 9.353 ( 0.427 0.000 0.183) 0.465 9.504 ( -0.460 0.000 -0.793) 0.917 9.504 ( -0.460 0.000 0.793) 0.917 9.802 ( 5.534 0.000 -1.064) 5.635 9.802 ( 5.534 0.000 1.064) 5.635 9.910 ( 5.917 0.000 -1.043) 6.008 9.910 ( 5.917 0.000 1.043) 6.008 10.144 ( -1.242 0.000 -2.744) 3.012 10.144 ( -1.242 0.000 2.744) 3.012 10.442 ( -0.024 0.000 -1.285) 1.286 10.442 ( -0.024 0.000 1.285) 1.286 10.669 ( -9.757 0.000 -4.183) 10.616 10.669 ( -9.757 0.000 4.183) 10.616 10.991 ( 1.377 0.000 -8.599) 8.708 10.991 ( 1.377 0.000 8.599) 8.708 12.087 ( 1.495 0.000 -10.642) 10.747 12.087 ( 1.495 0.000 10.642) 10.747 12.620 ( -0.112 0.000 -0.957) 0.964 12.620 ( -0.112 0.000 0.957) 0.964 13.173 ( 0.151 0.000 -1.379) 1.387 13.173 ( 0.151 0.000 1.379) 1.387 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 3.183 0.000 -4.380) 5.415 1.456 ( 3.183 0.000 4.380) 5.415 1.522 ( 0.503 0.000 -3.644) 3.679 1.522 ( 0.503 0.000 3.644) 3.679 2.025 ( 2.565 0.000 -3.594) 4.415 2.025 ( 2.565 0.000 3.594) 4.415 2.131 ( 3.154 0.000 -6.036) 6.810 2.131 ( 3.154 0.000 6.036) 6.810 2.157 ( -4.696 0.000 -4.504) 6.507 2.157 ( -4.696 0.000 4.504) 6.507 2.200 ( -3.774 0.000 -6.664) 7.659 2.200 ( -3.774 0.000 6.664) 7.659 2.581 ( -0.247 0.000 -3.012) 3.022 2.581 ( -0.247 0.000 3.012) 3.022 3.016 ( 5.833 0.000 -5.694) 8.151 3.016 ( 5.833 0.000 5.694) 8.151 3.131 ( -6.220 0.000 -5.869) 8.551 3.131 ( -6.220 0.000 5.869) 8.551 3.142 ( 1.814 0.000 -1.020) 2.081 3.142 ( 1.814 0.000 1.020) 2.081 3.338 ( -1.787 0.000 -0.888) 1.996 3.338 ( -1.787 0.000 0.888) 1.996 3.390 ( -1.237 0.000 -0.305) 1.274 3.390 ( -1.237 0.000 0.305) 1.274 3.668 ( 2.603 0.000 -0.380) 2.631 3.668 ( 2.603 0.000 0.380) 2.631 3.710 ( 0.496 0.000 -1.193) 1.292 3.710 ( 0.496 0.000 1.193) 1.292 3.804 ( -2.641 0.000 -1.540) 3.057 3.804 ( -2.641 0.000 1.540) 3.057 4.114 ( 7.832 0.000 -2.813) 8.322 4.114 ( 7.832 0.000 2.813) 8.322 4.162 ( 2.221 0.000 -2.395) 3.266 4.162 ( 2.221 0.000 2.395) 3.266 4.380 ( -0.732 0.000 -2.320) 2.433 4.380 ( -0.732 0.000 2.320) 2.433 4.450 ( -4.254 0.000 -1.080) 4.389 4.450 ( -4.254 0.000 1.080) 4.389 4.485 ( -5.713 0.000 -0.910) 5.785 4.485 ( -5.713 0.000 0.910) 5.785 4.873 ( 2.409 0.000 -1.868) 3.049 4.873 ( 2.409 0.000 1.868) 3.049 5.035 ( -0.679 0.000 -3.347) 3.415 5.035 ( -0.679 0.000 3.347) 3.415 5.104 ( 0.143 0.000 -1.877) 1.883 5.104 ( 0.143 0.000 1.877) 1.883 5.286 ( 2.192 0.000 -2.942) 3.669 5.286 ( 2.192 0.000 2.942) 3.669 5.445 ( -2.763 0.000 -3.762) 4.668 5.445 ( -2.763 0.000 3.762) 4.668 5.592 ( -0.390 0.000 -1.462) 1.513 5.592 ( -0.390 0.000 1.462) 1.513 5.935 ( 1.459 0.000 -2.180) 2.623 5.935 ( 1.459 0.000 2.180) 2.623 5.937 ( -2.543 0.000 -0.991) 2.729 5.937 ( -2.543 0.000 0.991) 2.729 6.029 ( -0.999 0.000 -2.070) 2.299 6.029 ( -0.999 0.000 2.070) 2.299 6.486 ( 0.884 0.000 -0.991) 1.328 6.486 ( 0.884 0.000 0.991) 1.328 6.767 ( 0.931 0.000 -2.450) 2.621 6.767 ( 0.931 0.000 2.450) 2.621 7.163 ( -1.762 0.000 -2.686) 3.212 7.163 ( -1.762 0.000 2.686) 3.212 7.246 ( 0.904 0.000 -1.466) 1.722 7.246 ( 0.904 0.000 1.466) 1.722 7.884 ( 4.645 0.000 -1.650) 4.929 7.884 ( 4.645 0.000 1.650) 4.929 8.193 ( 0.630 0.000 -0.443) 0.770 8.193 ( 0.630 0.000 0.443) 0.770 8.400 ( -4.905 0.000 -2.165) 5.362 8.400 ( -4.905 0.000 2.165) 5.362 9.067 ( -0.054 0.000 -1.271) 1.272 9.067 ( -0.054 0.000 1.271) 1.272 9.361 ( 0.300 0.000 -0.125) 0.325 9.361 ( 0.300 0.000 0.125) 0.325 9.495 ( -0.320 0.000 -0.343) 0.469 9.495 ( -0.320 0.000 0.343) 0.469 9.906 ( 4.753 0.000 -2.880) 5.557 9.906 ( 4.753 0.000 2.880) 5.557 10.000 ( 0.552 0.000 -3.159) 3.207 10.000 ( 0.552 0.000 3.159) 3.207 10.172 ( 6.331 0.000 -2.967) 6.992 10.172 ( 6.331 0.000 2.967) 6.992 10.442 ( -0.015 0.000 -0.491) 0.491 10.442 ( -0.015 0.000 0.491) 0.491 10.461 ( -11.013 0.000 -4.422) 11.867 10.461 ( -11.013 0.000 4.422) 11.867 11.008 ( 0.451 0.000 -2.588) 2.627 11.008 ( 0.451 0.000 2.588) 2.627 12.112 ( 0.890 0.000 -3.916) 4.016 12.112 ( 0.890 0.000 3.916) 4.016 12.618 ( -0.110 0.000 -0.349) 0.366 12.618 ( -0.110 0.000 0.349) 0.366 13.176 ( 0.094 0.000 -0.531) 0.540 13.176 ( 0.094 0.000 0.531) 0.540 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 4.839 -11.121) 12.128 1.356 ( 0.000 4.839 11.121) 12.128 1.635 ( 0.000 10.052 -14.144) 17.352 1.635 ( 0.000 10.052 14.144) 17.352 1.967 ( 0.000 2.625 -4.276) 5.017 1.967 ( 0.000 2.625 4.276) 5.017 2.114 ( 0.000 2.953 -5.151) 5.938 2.114 ( 0.000 2.953 5.151) 5.938 2.305 ( 0.000 -2.847 -6.152) 6.779 2.305 ( 0.000 -2.847 6.152) 6.779 2.419 ( 0.000 9.924 -7.961) 12.723 2.419 ( 0.000 9.924 7.961) 12.723 2.631 ( 0.000 1.737 -11.278) 11.411 2.631 ( 0.000 1.737 11.278) 11.411 2.722 ( 0.000 -2.853 -5.832) 6.492 2.722 ( 0.000 -2.853 5.832) 6.492 3.171 ( 0.000 6.195 -1.164) 6.303 3.171 ( 0.000 6.195 1.164) 6.303 3.300 ( 0.000 -2.901 -4.516) 5.368 3.300 ( 0.000 -2.901 4.516) 5.368 3.367 ( 0.000 -1.901 -0.904) 2.105 3.367 ( 0.000 -1.901 0.904) 2.105 3.470 ( 0.000 -0.763 -0.670) 1.016 3.470 ( 0.000 -0.763 0.670) 1.016 3.606 ( 0.000 3.816 -0.937) 3.929 3.606 ( 0.000 3.816 0.937) 3.929 3.616 ( 0.000 -2.215 -1.297) 2.567 3.616 ( 0.000 -2.215 1.297) 2.567 3.909 ( 0.000 -1.726 -1.111) 2.052 3.909 ( 0.000 -1.726 1.111) 2.052 3.984 ( 0.000 0.806 -0.308) 0.863 3.984 ( 0.000 0.806 0.308) 0.863 4.051 ( 0.000 5.764 -4.415) 7.260 4.051 ( 0.000 5.764 4.415) 7.260 4.383 ( 0.000 -2.040 -3.796) 4.310 4.383 ( 0.000 -2.040 3.796) 4.310 4.535 ( 0.000 3.145 -1.603) 3.530 4.535 ( 0.000 3.145 1.603) 3.530 4.675 ( 0.000 -3.011 -3.620) 4.708 4.675 ( 0.000 -3.011 3.620) 4.708 4.823 ( 0.000 0.524 -0.152) 0.546 4.823 ( 0.000 0.524 0.152) 0.546 5.046 ( 0.000 -3.370 -7.867) 8.559 5.046 ( 0.000 -3.370 7.867) 8.559 5.115 ( 0.000 0.152 -0.385) 0.414 5.115 ( 0.000 0.152 0.385) 0.414 5.208 ( 0.000 5.112 -3.070) 5.964 5.208 ( 0.000 5.112 3.070) 5.964 5.461 ( 0.000 -6.179 -5.076) 7.996 5.461 ( 0.000 -6.179 5.076) 7.996 5.592 ( 0.000 -2.551 -2.953) 3.903 5.592 ( 0.000 -2.551 2.953) 3.903 5.886 ( 0.000 -2.314 -3.048) 3.827 5.886 ( 0.000 -2.314 3.048) 3.827 5.934 ( 0.000 -4.345 -0.137) 4.347 5.934 ( 0.000 -4.345 0.137) 4.347 6.169 ( 0.000 1.426 -5.397) 5.582 6.169 ( 0.000 1.426 5.397) 5.582 6.458 ( 0.000 1.636 -0.650) 1.761 6.458 ( 0.000 1.636 0.650) 1.761 6.718 ( 0.000 0.396 -4.771) 4.787 6.718 ( 0.000 0.396 4.771) 4.787 7.175 ( 0.000 -1.200 -5.669) 5.795 7.175 ( 0.000 -1.200 5.669) 5.795 7.275 ( 0.000 2.696 -5.306) 5.952 7.275 ( 0.000 2.696 5.306) 5.952 7.663 ( 0.000 -4.875 -2.507) 5.482 7.663 ( 0.000 -4.875 2.507) 5.482 8.185 ( 0.000 2.082 -1.812) 2.760 8.185 ( 0.000 2.082 1.812) 2.760 8.548 ( 0.000 -4.167 -1.337) 4.376 8.548 ( 0.000 -4.167 1.337) 4.376 9.033 ( 0.000 0.821 -3.803) 3.891 9.033 ( 0.000 0.821 3.803) 3.891 9.488 ( 0.000 6.040 -0.977) 6.119 9.488 ( 0.000 6.040 0.977) 6.119 9.539 ( 0.000 6.454 -0.016) 6.454 9.539 ( 0.000 6.454 0.016) 6.454 9.728 ( 0.000 -1.662 -2.748) 3.212 9.728 ( 0.000 -1.662 2.748) 3.212 9.880 ( 0.000 3.052 -0.868) 3.173 9.880 ( 0.000 3.052 0.868) 3.173 10.162 ( 0.000 0.284 -2.825) 2.839 10.162 ( 0.000 0.284 2.825) 2.839 10.429 ( 0.000 -1.235 -1.434) 1.892 10.429 ( 0.000 -1.235 1.434) 1.892 10.790 ( 0.000 1.301 -1.058) 1.677 10.790 ( 0.000 1.301 1.058) 1.677 10.936 ( 0.000 -2.791 -11.379) 11.716 10.936 ( 0.000 -2.791 11.379) 11.716 11.999 ( 0.000 -7.196 -12.574) 14.487 11.999 ( 0.000 -7.196 12.574) 14.487 12.666 ( 0.000 4.572 -1.044) 4.690 12.666 ( 0.000 4.572 1.044) 4.690 13.173 ( 0.000 -0.042 -1.625) 1.625 13.173 ( 0.000 -0.042 1.625) 1.625 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.858 4.246 -9.443) 11.437 1.407 ( 4.858 4.246 9.443) 11.437 1.646 ( 0.961 10.535 -12.517) 16.389 1.646 ( 0.961 10.535 12.517) 16.389 1.952 ( -1.519 -0.742 -5.589) 5.839 1.952 ( -1.519 -0.742 5.589) 5.839 2.078 ( -3.093 -2.065 -2.682) 4.586 2.078 ( -3.093 -2.065 2.682) 4.586 2.303 ( 0.099 6.211 -3.921) 7.346 2.303 ( 0.099 6.211 3.921) 7.346 2.410 ( -0.954 10.608 -7.269) 12.895 2.410 ( -0.954 10.608 7.269) 12.895 2.595 ( -1.865 1.190 -8.096) 8.393 2.595 ( -1.865 1.190 8.096) 8.393 2.816 ( 7.182 -4.349 -5.923) 10.275 2.816 ( 7.182 -4.349 5.923) 10.275 3.180 ( -0.556 3.707 -1.982) 4.241 3.180 ( -0.556 3.707 1.982) 4.241 3.231 ( -4.330 -0.773 -4.060) 5.986 3.231 ( -4.330 -0.773 4.060) 5.986 3.357 ( -0.795 -1.527 -0.013) 1.722 3.357 ( -0.795 -1.527 0.013) 1.722 3.438 ( -3.202 0.309 -0.846) 3.326 3.438 ( -3.202 0.309 0.846) 3.326 3.639 ( 1.639 -1.841 -2.041) 3.200 3.639 ( 1.639 -1.841 2.041) 3.200 3.645 ( 2.834 1.375 -1.118) 3.342 3.645 ( 2.834 1.375 1.118) 3.342 3.912 ( -4.120 2.588 -1.456) 5.079 3.912 ( -4.120 2.588 1.456) 5.079 3.958 ( 5.176 -1.572 -3.617) 6.507 3.958 ( 5.176 -1.572 3.617) 6.507 4.132 ( 5.725 4.666 -3.677) 8.250 4.132 ( 5.725 4.666 3.677) 8.250 4.368 ( -1.880 -2.477 -4.269) 5.282 4.368 ( -1.880 -2.477 4.269) 5.282 4.524 ( -1.210 3.023 -1.352) 3.526 4.524 ( -1.210 3.023 1.352) 3.526 4.616 ( -6.405 -2.866 -2.415) 7.421 4.616 ( -6.405 -2.866 2.415) 7.421 4.825 ( 1.138 0.622 -1.667) 2.112 4.825 ( 1.138 0.622 1.667) 2.112 5.034 ( -0.771 -1.279 -4.875) 5.099 5.034 ( -0.771 -1.279 4.875) 5.099 5.162 ( 3.562 0.253 -4.511) 5.754 5.162 ( 3.562 0.253 4.511) 5.754 5.220 ( 1.323 3.797 -2.361) 4.663 5.220 ( 1.323 3.797 2.361) 4.663 5.436 ( -2.486 -5.753 -4.843) 7.920 5.436 ( -2.486 -5.753 4.843) 7.920 5.585 ( -0.766 -2.568 -2.620) 3.748 5.585 ( -0.766 -2.568 2.620) 3.748 5.890 ( -0.006 -4.535 -0.648) 4.581 5.890 ( -0.006 -4.535 0.648) 4.581 5.927 ( -0.156 -1.545 -2.488) 2.933 5.927 ( -0.156 -1.545 2.488) 2.933 6.097 ( -5.787 0.798 -2.946) 6.542 6.097 ( -5.787 0.798 2.946) 6.542 6.490 ( 2.395 0.939 -2.194) 3.381 6.490 ( 2.395 0.939 2.194) 3.381 6.727 ( 0.833 0.349 -4.152) 4.249 6.727 ( 0.833 0.349 4.152) 4.249 7.186 ( 0.221 -0.720 -5.147) 5.202 7.186 ( 0.221 -0.720 5.147) 5.202 7.267 ( -0.160 3.023 -3.873) 4.915 7.267 ( -0.160 3.023 3.873) 4.915 7.706 ( 4.259 -6.116 -2.326) 7.807 7.706 ( 4.259 -6.116 2.326) 7.807 8.201 ( 1.609 2.298 -1.417) 3.143 8.201 ( 1.609 2.298 1.417) 3.143 8.493 ( -5.331 -2.830 -2.705) 6.614 8.493 ( -5.331 -2.830 2.705) 6.614 9.028 ( -0.546 -0.034 -3.034) 3.083 9.028 ( -0.546 -0.034 3.034) 3.083 9.487 ( 0.087 5.091 -0.556) 5.122 9.487 ( 0.087 5.091 0.556) 5.122 9.535 ( -0.629 7.005 -0.639) 7.062 9.535 ( -0.629 7.005 0.639) 7.062 9.789 ( 5.918 -1.765 -0.319) 6.184 9.789 ( 5.918 -1.765 0.319) 6.184 9.928 ( 4.599 2.216 -0.251) 5.111 9.928 ( 4.599 2.216 0.251) 5.111 10.148 ( -1.021 0.420 -2.652) 2.873 10.148 ( -1.021 0.420 2.652) 2.873 10.433 ( 0.304 -0.871 -1.149) 1.474 10.433 ( 0.304 -0.871 1.149) 1.474 10.671 ( -10.256 -0.118 -5.291) 11.541 10.671 ( -10.256 -0.118 5.291) 11.541 10.984 ( 2.872 -0.338 -7.029) 7.600 10.984 ( 2.872 -0.338 7.029) 7.600 12.011 ( 1.075 -7.679 -10.001) 12.654 12.011 ( 1.075 -7.679 10.001) 12.654 12.665 ( -0.107 4.575 -0.825) 4.650 12.665 ( -0.107 4.575 0.825) 4.650 13.174 ( 0.122 -0.071 -1.319) 1.327 13.174 ( 0.122 -0.071 1.319) 1.327 ======================= Grid point 154 (54/60) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 3.035 3.552 -3.984) 6.140 1.491 ( 3.035 3.552 3.984) 6.140 1.659 ( 0.223 10.461 -5.456) 11.801 1.659 ( 0.223 10.461 5.456) 11.801 1.937 ( 0.433 -5.572 -4.337) 7.074 1.937 ( 0.433 -5.572 4.337) 7.074 2.019 ( -2.832 -3.933 -2.172) 5.311 2.019 ( -2.832 -3.933 2.172) 5.311 2.316 ( 1.075 12.316 -2.890) 12.696 2.316 ( 1.075 12.316 2.889) 12.696 2.388 ( -1.117 12.812 -4.017) 13.474 2.388 ( -1.117 12.812 4.017) 13.474 2.573 ( -0.580 0.073 -3.094) 3.149 2.573 ( -0.580 0.073 3.094) 3.149 2.937 ( 5.284 -5.391 -4.248) 8.662 2.937 ( 5.284 -5.391 4.248) 8.662 3.088 ( -5.492 -3.198 -4.468) 7.769 3.088 ( -5.492 -3.198 4.468) 7.769 3.247 ( 2.553 6.611 -2.010) 7.367 3.247 ( 2.553 6.611 2.010) 7.367 3.333 ( -1.969 -0.415 -1.601) 2.572 3.333 ( -1.969 -0.415 1.601) 2.572 3.384 ( -1.655 -0.488 -0.296) 1.751 3.384 ( -1.655 -0.488 0.296) 1.751 3.650 ( 0.023 -4.660 -1.255) 4.827 3.650 ( 0.023 -4.660 1.255) 4.827 3.693 ( 1.779 2.321 -0.210) 2.932 3.693 ( 1.779 2.321 0.210) 2.932 3.849 ( -2.202 2.802 -0.572) 3.610 3.849 ( -2.202 2.802 0.572) 3.610 4.095 ( 7.815 -1.425 -4.474) 9.117 4.095 ( 7.815 -1.425 4.474) 9.117 4.229 ( 4.182 6.359 -1.859) 7.834 4.229 ( 4.182 6.359 1.859) 7.834 4.305 ( -4.777 -5.128 -3.512) 7.839 4.305 ( -4.777 -5.128 3.512) 7.839 4.457 ( -5.776 -1.252 -2.511) 6.421 4.457 ( -5.776 -1.252 2.511) 6.421 4.525 ( -1.225 3.720 -0.339) 3.931 4.525 ( -1.225 3.720 0.339) 3.931 4.860 ( 1.719 -0.092 -1.441) 2.245 4.860 ( 1.719 -0.092 1.441) 2.245 5.021 ( -0.585 -1.244 -2.323) 2.699 5.021 ( -0.585 -1.244 2.323) 2.699 5.210 ( 1.344 7.185 -3.332) 8.034 5.210 ( 1.344 7.185 3.332) 8.034 5.253 ( 1.818 -1.830 -1.783) 3.136 5.253 ( 1.818 -1.830 1.783) 3.136 5.384 ( -2.429 -5.244 -3.489) 6.750 5.384 ( -2.429 -5.244 3.489) 6.750 5.570 ( -0.582 -2.711 -1.164) 3.007 5.570 ( -0.582 -2.711 1.164) 3.007 5.873 ( -1.074 -3.688 -0.699) 3.905 5.873 ( -1.074 -3.688 0.699) 3.905 5.950 ( 2.296 -1.451 -3.009) 4.054 5.950 ( 2.296 -1.451 3.009) 4.054 6.006 ( -3.825 -0.878 -1.964) 4.389 6.006 ( -3.825 -0.878 1.964) 4.389 6.522 ( 0.955 0.499 -1.073) 1.520 6.522 ( 0.955 0.499 1.073) 1.520 6.741 ( 0.546 -0.052 -1.744) 1.828 6.741 ( 0.546 -0.052 1.744) 1.828 7.170 ( -1.089 0.670 -2.304) 2.635 7.170 ( -1.089 0.670 2.304) 2.635 7.279 ( 0.717 2.862 -1.255) 3.206 7.279 ( 0.717 2.862 1.255) 3.206 7.786 ( 3.170 -8.493 -1.308) 9.159 7.786 ( 3.170 -8.493 1.308) 9.159 8.236 ( 1.823 3.100 -0.649) 3.654 8.236 ( 1.823 3.100 0.649) 3.654 8.390 ( -4.447 -0.976 -2.023) 4.982 8.390 ( -4.447 -0.976 2.023) 4.982 9.018 ( -0.367 -1.023 -1.118) 1.559 9.018 ( -0.367 -1.023 1.118) 1.559 9.495 ( 0.713 3.081 -0.534) 3.208 9.495 ( 0.713 3.081 0.534) 3.208 9.518 ( -1.019 8.364 -0.583) 8.446 9.518 ( -1.019 8.364 0.583) 8.446 9.907 ( 6.020 -1.076 -3.208) 6.906 9.907 ( 6.020 -1.076 3.208) 6.906 9.983 ( -1.019 -0.695 -3.220) 3.448 9.983 ( -1.019 -0.695 3.220) 3.448 10.175 ( 5.007 0.424 -2.671) 5.691 10.175 ( 5.007 0.424 2.671) 5.691 10.435 ( -0.895 -0.278 -1.507) 1.775 10.435 ( -0.895 -0.278 1.507) 1.775 10.473 ( -8.666 0.875 -2.976) 9.205 10.473 ( -8.666 0.875 2.976) 9.205 11.018 ( 0.902 1.191 -2.331) 2.769 11.018 ( 0.902 1.191 2.331) 2.769 12.029 ( 0.649 -8.413 -3.728) 9.225 12.029 ( 0.649 -8.413 3.728) 9.225 12.662 ( -0.091 4.605 -0.300) 4.615 12.662 ( -0.091 4.605 0.300) 4.615 13.176 ( 0.077 -0.117 -0.507) 0.526 13.176 ( 0.077 -0.117 0.507) 0.526 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 8.494 -8.027) 11.687 1.488 ( 0.000 8.494 8.027) 11.687 1.728 ( 0.000 0.150 -13.143) 13.144 1.728 ( 0.000 0.150 13.143) 13.144 2.054 ( 0.000 1.118 -4.385) 4.525 2.054 ( 0.000 1.118 4.385) 4.525 2.083 ( 0.000 -7.089 -4.105) 8.192 2.083 ( 0.000 -7.089 4.105) 8.192 2.347 ( 0.000 11.350 -5.166) 12.470 2.347 ( 0.000 11.350 5.166) 12.470 2.603 ( 0.000 7.710 -8.984) 11.839 2.603 ( 0.000 7.710 8.984) 11.839 2.668 ( 0.000 1.804 -14.847) 14.956 2.668 ( 0.000 1.804 14.847) 14.956 2.852 ( 0.000 15.866 -1.400) 15.928 2.852 ( 0.000 15.866 1.400) 15.928 3.219 ( 0.000 -3.933 -2.823) 4.842 3.219 ( 0.000 -3.933 2.823) 4.842 3.268 ( 0.000 1.121 -1.180) 1.627 3.268 ( 0.000 1.121 1.180) 1.627 3.332 ( 0.000 0.054 -1.146) 1.147 3.332 ( 0.000 0.054 1.146) 1.147 3.440 ( 0.000 -2.581 -0.788) 2.698 3.440 ( 0.000 -2.581 0.788) 2.698 3.557 ( 0.000 -3.214 -3.031) 4.418 3.557 ( 0.000 -3.214 3.031) 4.418 3.676 ( 0.000 1.243 -1.553) 1.990 3.676 ( 0.000 1.243 1.553) 1.990 3.875 ( 0.000 -1.388 -3.336) 3.613 3.875 ( 0.000 -1.388 3.336) 3.613 3.989 ( 0.000 0.653 -0.072) 0.657 3.989 ( 0.000 0.653 0.072) 0.657 4.199 ( 0.000 6.998 -1.375) 7.132 4.199 ( 0.000 6.998 1.375) 7.132 4.345 ( 0.000 -1.278 -1.663) 2.097 4.345 ( 0.000 -1.278 1.663) 2.097 4.606 ( 0.000 -2.628 -5.268) 5.888 4.606 ( 0.000 -2.628 5.268) 5.888 4.613 ( 0.000 4.742 -1.928) 5.119 4.613 ( 0.000 4.742 1.928) 5.119 4.843 ( 0.000 1.132 -1.227) 1.669 4.843 ( 0.000 1.132 1.227) 1.669 4.948 ( 0.000 -6.195 -6.625) 9.071 4.948 ( 0.000 -6.195 6.625) 9.071 5.122 ( 0.000 0.724 -0.503) 0.882 5.122 ( 0.000 0.724 0.503) 0.882 5.242 ( 0.000 -4.784 -4.511) 6.575 5.242 ( 0.000 -4.784 4.511) 6.575 5.409 ( 0.000 2.133 -3.216) 3.859 5.409 ( 0.000 2.133 3.216) 3.859 5.516 ( 0.000 -3.763 -2.398) 4.462 5.516 ( 0.000 -3.763 2.398) 4.462 5.804 ( 0.000 -3.032 -0.690) 3.109 5.804 ( 0.000 -3.032 0.690) 3.109 5.902 ( 0.000 -1.920 -2.450) 3.113 5.902 ( 0.000 -1.920 2.450) 3.113 6.169 ( 0.000 -0.389 -6.991) 7.002 6.169 ( 0.000 -0.389 6.991) 7.002 6.405 ( 0.000 -6.065 -6.178) 8.657 6.405 ( 0.000 -6.065 6.178) 8.657 6.793 ( 0.000 6.033 -0.223) 6.037 6.793 ( 0.000 6.033 0.223) 6.037 7.156 ( 0.000 -0.830 -4.881) 4.951 7.156 ( 0.000 -0.830 4.881) 4.951 7.319 ( 0.000 1.482 -2.593) 2.986 7.319 ( 0.000 1.482 2.593) 2.986 7.565 ( 0.000 -4.281 -3.163) 5.323 7.565 ( 0.000 -4.281 3.163) 5.323 8.237 ( 0.000 3.177 -2.009) 3.759 8.237 ( 0.000 3.177 2.009) 3.759 8.460 ( 0.000 -4.487 -0.351) 4.500 8.460 ( 0.000 -4.487 0.351) 4.500 9.124 ( 0.000 7.954 -3.680) 8.764 9.124 ( 0.000 7.954 3.680) 8.764 9.528 ( 0.000 0.677 -2.725) 2.808 9.528 ( 0.000 0.677 2.725) 2.808 9.663 ( 0.000 -0.595 -0.340) 0.685 9.663 ( 0.000 -0.595 0.340) 0.685 9.704 ( 0.000 2.265 -3.164) 3.891 9.704 ( 0.000 2.265 3.164) 3.891 9.975 ( 0.000 6.304 -1.437) 6.466 9.975 ( 0.000 6.304 1.437) 6.466 10.167 ( 0.000 0.209 -2.429) 2.438 10.167 ( 0.000 0.209 2.429) 2.438 10.405 ( 0.000 -0.871 -1.207) 1.488 10.405 ( 0.000 -0.871 1.207) 1.488 10.741 ( 0.000 -6.919 -8.137) 10.681 10.741 ( 0.000 -6.919 8.137) 10.681 10.953 ( 0.000 5.344 -0.270) 5.350 10.953 ( 0.000 5.344 0.270) 5.350 11.812 ( 0.000 -11.361 -9.899) 15.068 11.812 ( 0.000 -11.361 9.899) 15.068 12.793 ( 0.000 8.177 -0.595) 8.198 12.793 ( 0.000 8.177 0.595) 8.198 13.160 ( 0.000 -1.594 -1.449) 2.154 13.160 ( 0.000 -1.594 1.449) 2.154 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.894 6.417 -6.994) 9.923 1.517 ( 2.894 6.417 6.994) 9.923 1.740 ( 0.480 -0.352 -12.516) 12.530 1.740 ( 0.480 -0.352 12.516) 12.530 1.919 ( -7.243 -4.198 -3.011) 8.897 1.919 ( -7.243 -4.198 3.011) 8.897 2.127 ( 0.037 5.130 -1.753) 5.421 2.127 ( 0.037 5.130 1.753) 5.421 2.419 ( 5.683 5.839 -5.352) 9.749 2.419 ( 5.683 5.839 5.352) 9.749 2.594 ( -0.806 8.742 -8.541) 12.248 2.594 ( -0.806 8.742 8.541) 12.248 2.686 ( 1.676 3.974 -12.338) 13.070 2.686 ( 1.676 3.974 12.338) 13.070 2.858 ( 0.932 12.489 -1.802) 12.653 2.858 ( 0.932 12.489 1.802) 12.653 3.134 ( -7.223 -4.729 -4.873) 9.913 3.134 ( -7.223 -4.729 4.873) 9.913 3.272 ( 0.479 0.453 -2.758) 2.836 3.272 ( 0.479 0.453 2.758) 2.836 3.338 ( 0.662 0.667 -2.081) 2.283 3.338 ( 0.662 0.667 2.081) 2.283 3.444 ( -0.838 -0.079 -1.134) 1.412 3.444 ( -0.838 -0.079 1.134) 1.412 3.556 ( 0.009 -4.138 -2.268) 4.718 3.556 ( 0.009 -4.138 2.268) 4.718 3.699 ( 2.253 1.159 -1.930) 3.185 3.699 ( 2.253 1.159 1.930) 3.185 3.915 ( 1.813 -2.336 -4.330) 5.244 3.915 ( 1.813 -2.336 4.330) 5.244 3.955 ( -0.377 1.544 -1.990) 2.546 3.955 ( -0.377 1.544 1.990) 2.546 4.250 ( 4.731 5.206 -2.020) 7.318 4.250 ( 4.731 5.206 2.020) 7.318 4.322 ( -2.988 -1.434 -3.025) 4.488 4.322 ( -2.988 -1.434 3.025) 4.488 4.561 ( -4.257 -0.226 -3.756) 5.682 4.561 ( -4.257 -0.226 3.756) 5.682 4.600 ( -1.148 3.651 -1.070) 3.974 4.600 ( -1.148 3.651 1.070) 3.974 4.845 ( 0.991 0.936 -2.072) 2.480 4.845 ( 0.991 0.936 2.072) 2.480 4.989 ( 2.510 -3.421 -6.014) 7.360 4.989 ( 2.510 -3.421 6.014) 7.360 5.120 ( 0.732 -1.859 -1.495) 2.496 5.120 ( 0.732 -1.859 1.495) 2.496 5.250 ( 0.468 -4.804 -5.253) 7.134 5.250 ( 0.468 -4.804 5.253) 7.134 5.406 ( -0.297 3.295 -3.240) 4.631 5.406 ( -0.297 3.295 3.240) 4.631 5.504 ( -1.166 -4.406 -2.777) 5.337 5.504 ( -1.166 -4.406 2.777) 5.337 5.803 ( 0.272 -2.528 -1.019) 2.739 5.803 ( 0.272 -2.528 1.019) 2.739 5.915 ( 0.992 -1.290 -2.625) 3.088 5.915 ( 0.992 -1.290 2.625) 3.088 6.097 ( -6.426 0.092 -4.562) 7.882 6.097 ( -6.426 0.092 4.562) 7.882 6.414 ( 0.593 -7.451 -5.557) 9.314 6.414 ( 0.593 -7.451 5.557) 9.314 6.809 ( 1.375 6.592 -0.806) 6.782 6.809 ( 1.375 6.592 0.806) 6.782 7.175 ( 1.158 -0.733 -4.432) 4.639 7.175 ( 1.158 -0.733 4.432) 4.639 7.319 ( 0.465 2.032 -1.786) 2.745 7.319 ( 0.465 2.032 1.786) 2.745 7.580 ( 1.543 -5.764 -2.728) 6.561 7.580 ( 1.543 -5.764 2.728) 6.561 8.251 ( 1.417 2.735 -1.557) 3.451 8.251 ( 1.417 2.735 1.557) 3.451 8.428 ( -3.127 -3.499 -1.893) 5.060 8.428 ( -3.127 -3.499 1.893) 5.060 9.108 ( -1.414 7.832 -2.874) 8.461 9.108 ( -1.414 7.832 2.874) 8.461 9.519 ( -0.555 0.554 -1.988) 2.137 9.519 ( -0.555 0.554 1.988) 2.137 9.686 ( -0.151 4.417 -0.183) 4.424 9.686 ( -0.151 4.417 0.183) 4.424 9.731 ( 4.745 -3.477 -2.071) 6.237 9.731 ( 4.745 -3.477 2.071) 6.237 10.001 ( 2.157 4.979 -0.929) 5.505 10.001 ( 2.157 4.979 0.929) 5.505 10.157 ( -0.427 0.447 -2.123) 2.211 10.157 ( -0.427 0.447 2.123) 2.211 10.416 ( 1.063 -0.505 -0.881) 1.470 10.416 ( 1.063 -0.505 0.881) 1.470 10.641 ( -8.452 -3.365 -6.762) 11.335 10.641 ( -8.452 -3.365 6.762) 11.335 11.012 ( 4.284 4.061 -4.073) 7.172 11.012 ( 4.284 4.061 4.073) 7.172 11.809 ( -0.276 -12.379 -8.184) 14.843 11.809 ( -0.276 -12.379 8.184) 14.843 12.792 ( -0.063 8.220 -0.467) 8.233 12.792 ( -0.063 8.220 0.467) 8.233 13.161 ( 0.054 -1.643 -1.175) 2.021 13.161 ( 0.054 -1.643 1.175) 2.021 ======================= Grid point 164 (57/60) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 2.084 3.317 -3.023) 4.948 1.571 ( 2.084 3.317 3.023) 4.948 1.712 ( -2.423 -4.336 -4.291) 6.563 1.712 ( -2.423 -4.336 4.291) 6.564 1.863 ( 0.248 -0.507 -0.435) 0.713 1.863 ( 0.248 -0.507 0.435) 0.713 2.107 ( -1.264 9.203 -1.341) 9.386 2.107 ( -1.264 9.203 1.341) 9.386 2.495 ( 2.037 1.289 -3.473) 4.228 2.495 ( 2.037 1.289 3.473) 4.228 2.584 ( -0.065 12.039 -4.414) 12.823 2.584 ( -0.065 12.039 4.414) 12.823 2.713 ( 0.845 10.443 -4.530) 11.414 2.713 ( 0.845 10.443 4.530) 11.414 2.894 ( 2.718 4.514 -3.265) 6.199 2.894 ( 2.718 4.514 3.265) 6.199 3.007 ( -5.557 -5.021 -4.693) 8.839 3.007 ( -5.557 -5.021 4.693) 8.839 3.282 ( 0.421 -1.558 -1.563) 2.246 3.282 ( 0.421 -1.558 1.563) 2.246 3.351 ( 0.592 -0.991 -1.243) 1.696 3.351 ( 0.592 -0.991 1.243) 1.696 3.418 ( -1.121 5.761 -0.805) 5.924 3.418 ( -1.121 5.761 0.805) 5.924 3.554 ( -0.150 -4.671 -0.874) 4.755 3.554 ( -0.150 -4.671 0.874) 4.755 3.735 ( 1.167 1.060 -0.702) 1.726 3.735 ( 1.167 1.060 0.702) 1.726 3.875 ( -2.133 -0.199 -0.123) 2.146 3.875 ( -2.133 -0.199 0.123) 2.146 4.063 ( 8.171 -2.960 -6.133) 10.637 4.063 ( 8.171 -2.960 6.133) 10.637 4.220 ( -7.430 -1.742 -4.895) 9.066 4.220 ( -7.430 -1.742 4.895) 9.066 4.352 ( 5.458 2.377 -2.063) 6.301 4.352 ( 5.458 2.377 2.063) 6.301 4.471 ( -5.017 5.681 -1.841) 7.799 4.471 ( -5.017 5.681 1.841) 7.799 4.582 ( -0.567 2.202 -0.397) 2.309 4.582 ( -0.567 2.202 0.397) 2.309 4.882 ( 2.359 1.998 -1.757) 3.556 4.882 ( 2.359 1.998 1.757) 3.556 4.991 ( -1.562 -1.429 -2.848) 3.548 4.991 ( -1.562 -1.429 2.848) 3.548 5.172 ( 3.956 -5.648 -5.078) 8.564 5.172 ( 3.956 -5.648 5.078) 8.564 5.240 ( -1.807 -3.727 -6.523) 7.727 5.240 ( -1.807 -3.727 6.523) 7.727 5.400 ( -0.256 4.681 -1.531) 4.932 5.400 ( -0.256 4.681 1.531) 4.932 5.482 ( -0.881 -5.877 -1.736) 6.191 5.482 ( -0.881 -5.877 1.736) 6.191 5.828 ( 2.310 0.132 -1.132) 2.576 5.828 ( 2.310 0.132 1.132) 2.576 5.916 ( -1.725 -0.986 -1.922) 2.764 5.916 ( -1.725 -0.986 1.922) 2.764 5.994 ( -3.073 -0.678 -0.994) 3.300 5.994 ( -3.073 -0.678 0.994) 3.300 6.421 ( 0.188 -9.256 -2.337) 9.548 6.421 ( 0.188 -9.256 2.337) 9.548 6.831 ( 0.789 7.603 -0.417) 7.656 6.831 ( 0.789 7.603 0.417) 7.656 7.177 ( -0.454 -0.389 -1.896) 1.988 7.177 ( -0.454 -0.389 1.896) 1.988 7.339 ( 1.051 3.081 -0.571) 3.305 7.339 ( 1.051 3.081 0.571) 3.305 7.610 ( 1.186 -8.642 -1.197) 8.805 7.610 ( 1.186 -8.642 1.197) 8.805 8.284 ( 1.858 1.781 -0.638) 2.651 8.284 ( 1.858 1.781 0.638) 2.651 8.364 ( -3.017 -1.533 -1.597) 3.742 8.364 ( -3.017 -1.533 1.597) 3.742 9.085 ( -0.775 7.680 -1.047) 7.789 9.085 ( -0.775 7.680 1.047) 7.789 9.513 ( -0.116 0.375 -0.739) 0.837 9.513 ( -0.116 0.375 0.739) 0.837 9.677 ( -0.381 5.091 -0.453) 5.126 9.677 ( -0.381 5.091 0.453) 5.126 9.824 ( 3.793 -6.462 -1.550) 7.651 9.824 ( 3.793 -6.462 1.550) 7.651 10.016 ( -0.700 3.464 -0.722) 3.607 10.016 ( -0.700 3.464 0.722) 3.607 10.183 ( 2.756 -0.009 -1.897) 3.345 10.183 ( 2.756 -0.009 1.897) 3.345 10.435 ( 0.960 0.323 -1.029) 1.444 10.435 ( 0.960 0.323 1.029) 1.444 10.490 ( -6.535 0.727 -3.047) 7.247 10.490 ( -6.535 0.727 3.047) 7.247 11.070 ( 1.747 4.831 -1.971) 5.503 11.070 ( 1.747 4.831 1.971) 5.503 11.804 ( -0.176 -14.118 -3.242) 14.486 11.804 ( -0.176 -14.118 3.242) 14.486 12.791 ( -0.047 8.301 -0.169) 8.302 12.791 ( -0.047 8.301 0.169) 8.302 13.162 ( 0.035 -1.722 -0.450) 1.780 13.162 ( 0.035 -1.722 0.450) 1.780 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 6.326 -1.645) 6.536 1.656 ( 0.000 6.326 1.645) 6.536 1.728 ( 0.000 2.788 -3.150) 4.207 1.728 ( 0.000 2.788 3.150) 4.207 1.905 ( 0.000 -9.954 -0.300) 9.959 1.905 ( 0.000 -9.954 0.300) 9.959 2.022 ( 0.000 -1.872 -2.151) 2.851 2.022 ( 0.000 -1.872 2.151) 2.851 2.599 ( 0.000 10.221 -6.415) 12.067 2.599 ( 0.000 10.221 6.415) 12.067 2.688 ( 0.000 -0.118 -11.314) 11.315 2.688 ( 0.000 -0.118 11.314) 11.315 2.739 ( 0.000 5.100 -5.982) 7.861 2.739 ( 0.000 5.100 5.982) 7.861 3.073 ( 0.000 -1.471 -0.999) 1.778 3.073 ( 0.000 -1.471 0.999) 1.778 3.226 ( 0.000 10.743 -0.947) 10.785 3.226 ( 0.000 10.743 0.947) 10.785 3.260 ( 0.000 -0.182 -1.047) 1.063 3.260 ( 0.000 -0.181 1.047) 1.063 3.374 ( 0.000 -3.938 -0.497) 3.969 3.374 ( 0.000 -3.938 0.497) 3.969 3.385 ( 0.000 3.657 -1.419) 3.923 3.385 ( 0.000 3.657 1.419) 3.923 3.504 ( 0.000 -1.107 -1.992) 2.279 3.504 ( 0.000 -1.107 1.992) 2.279 3.605 ( 0.000 -7.966 -1.313) 8.073 3.605 ( 0.000 -7.966 1.313) 8.073 3.869 ( 0.000 0.496 -2.809) 2.852 3.869 ( 0.000 0.496 2.809) 2.852 4.007 ( 0.000 0.765 -0.029) 0.765 4.007 ( 0.000 0.765 0.029) 0.765 4.250 ( 0.000 -0.921 -0.317) 0.974 4.250 ( 0.000 -0.921 0.317) 0.974 4.366 ( 0.000 2.800 -0.904) 2.943 4.366 ( 0.000 2.800 0.904) 2.943 4.596 ( 0.000 2.002 -6.355) 6.662 4.596 ( 0.000 2.002 6.355) 6.662 4.683 ( 0.000 -1.515 -2.606) 3.014 4.683 ( 0.000 -1.515 2.606) 3.014 4.856 ( 0.000 0.039 -1.092) 1.092 4.856 ( 0.000 0.039 1.092) 1.092 4.893 ( 0.000 4.535 -3.443) 5.694 4.893 ( 0.000 4.535 3.443) 5.694 5.089 ( 0.000 -8.299 -2.313) 8.615 5.089 ( 0.000 -8.299 2.313) 8.615 5.143 ( 0.000 -0.252 -1.669) 1.687 5.143 ( 0.000 -0.252 1.669) 1.687 5.381 ( 0.000 -2.473 -1.586) 2.938 5.381 ( 0.000 -2.473 1.586) 2.938 5.540 ( 0.000 2.872 -2.298) 3.678 5.540 ( 0.000 2.872 2.298) 3.678 5.779 ( 0.000 -0.021 -1.403) 1.403 5.779 ( 0.000 -0.021 1.403) 1.403 5.852 ( 0.000 -2.461 -2.012) 3.179 5.852 ( 0.000 -2.461 2.012) 3.179 6.184 ( 0.000 2.320 -7.742) 8.083 6.184 ( 0.000 2.320 7.742) 8.083 6.279 ( 0.000 -5.882 -7.974) 9.909 6.279 ( 0.000 -5.882 7.974) 9.909 6.891 ( 0.000 3.122 -1.128) 3.319 6.891 ( 0.000 3.122 1.128) 3.319 7.141 ( 0.000 -0.558 -2.389) 2.453 7.141 ( 0.000 -0.558 2.389) 2.453 7.328 ( 0.000 -0.193 -0.444) 0.484 7.328 ( 0.000 -0.193 0.444) 0.484 7.516 ( 0.000 -0.897 -1.704) 1.926 7.516 ( 0.000 -0.897 1.704) 1.926 8.301 ( 0.000 3.212 -1.558) 3.570 8.301 ( 0.000 3.212 1.558) 3.570 8.381 ( 0.000 -3.526 -0.746) 3.604 8.381 ( 0.000 -3.526 0.746) 3.604 9.307 ( 0.000 10.003 -4.702) 11.053 9.307 ( 0.000 10.003 4.702) 11.053 9.477 ( 0.000 -6.503 -5.403) 8.455 9.477 ( 0.000 -6.503 5.403) 8.455 9.661 ( 0.000 2.304 -0.607) 2.382 9.661 ( 0.000 2.304 0.607) 2.382 9.714 ( 0.000 -1.949 -1.066) 2.222 9.714 ( 0.000 -1.949 1.066) 2.222 10.082 ( 0.000 3.542 -0.409) 3.565 10.082 ( 0.000 3.542 0.409) 3.565 10.168 ( 0.000 -0.155 -1.397) 1.406 10.168 ( 0.000 -0.155 1.397) 1.406 10.413 ( 0.000 1.746 -1.377) 2.224 10.413 ( 0.000 1.746 1.377) 2.224 10.592 ( 0.000 -6.468 -4.998) 8.174 10.592 ( 0.000 -6.468 4.998) 8.174 11.079 ( 0.000 5.671 -2.149) 6.064 11.079 ( 0.000 5.671 2.149) 6.064 11.608 ( 0.000 -7.719 -4.838) 9.110 11.608 ( 0.000 -7.719 4.838) 9.110 12.957 ( 0.000 7.895 -0.153) 7.896 12.957 ( 0.000 7.895 0.153) 7.896 13.099 ( 0.000 -4.703 -0.957) 4.799 13.099 ( 0.000 -4.703 0.957) 4.799 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -2.893 1.345 -4.262) 5.324 1.602 ( -2.893 1.345 4.262) 5.324 1.736 ( -4.396 0.729 -0.522) 4.487 1.736 ( -4.396 0.729 0.522) 4.487 1.872 ( 2.804 0.470 -2.859) 4.032 1.872 ( 2.804 0.470 2.859) 4.032 2.097 ( 4.029 -4.843 -1.907) 6.582 2.097 ( 4.029 -4.843 1.907) 6.582 2.601 ( 0.201 9.887 -5.412) 11.273 2.601 ( 0.201 9.887 5.412) 11.273 2.708 ( 1.972 -0.991 -9.388) 9.643 2.708 ( 1.972 -0.991 9.387) 9.643 2.747 ( 0.956 4.831 -3.922) 6.296 2.747 ( 0.956 4.831 3.922) 6.296 3.026 ( -5.019 -3.437 -2.784) 6.690 3.026 ( -5.019 -3.437 2.784) 6.690 3.164 ( -4.244 12.763 -0.523) 13.460 3.164 ( -4.244 12.763 0.523) 13.460 3.277 ( 1.522 1.238 -1.081) 2.240 3.277 ( 1.522 1.238 1.081) 2.240 3.329 ( -3.566 -3.706 -0.856) 5.214 3.329 ( -3.566 -3.706 0.856) 5.214 3.401 ( 1.359 -3.187 -1.078) 3.629 3.401 ( 1.359 -3.187 1.078) 3.629 3.545 ( 3.150 3.624 -1.895) 5.162 3.545 ( 3.150 3.624 1.895) 5.162 3.657 ( 3.882 -5.419 -1.734) 6.888 3.657 ( 3.882 -5.419 1.734) 6.888 3.875 ( 0.696 -1.139 -4.236) 4.441 3.875 ( 0.696 -1.139 4.236) 4.441 3.973 ( -2.833 0.155 -0.542) 2.889 3.973 ( -2.833 0.155 0.542) 2.889 4.261 ( 0.776 -1.322 -0.613) 1.650 4.261 ( 0.776 -1.322 0.613) 1.650 4.356 ( -1.097 2.586 -1.280) 3.087 4.356 ( -1.097 2.586 1.280) 3.087 4.592 ( -0.212 3.414 -5.840) 6.768 4.592 ( -0.212 3.414 5.840) 6.768 4.665 ( -2.036 -0.161 -1.601) 2.595 4.665 ( -2.036 -0.161 1.601) 2.595 4.843 ( 1.418 -0.673 -2.033) 2.568 4.843 ( 1.418 -0.673 2.033) 2.568 4.969 ( 5.030 3.933 -3.186) 7.136 4.969 ( 5.030 3.933 3.186) 7.136 5.094 ( -1.688 -2.558 -1.870) 3.590 5.094 ( -1.688 -2.558 1.870) 3.590 5.132 ( 1.086 -5.688 -4.749) 7.489 5.132 ( 1.086 -5.688 4.749) 7.489 5.373 ( -0.603 -2.852 -1.701) 3.375 5.373 ( -0.603 -2.852 1.701) 3.375 5.511 ( -3.123 1.615 -1.712) 3.911 5.511 ( -3.123 1.615 1.712) 3.911 5.802 ( 2.500 1.786 -1.815) 3.569 5.802 ( 2.500 1.786 1.815) 3.569 5.873 ( 2.002 -2.634 -2.326) 4.044 5.873 ( 2.002 -2.634 2.326) 4.044 6.133 ( -4.980 3.992 -6.621) 9.196 6.133 ( -4.980 3.992 6.621) 9.196 6.258 ( -2.078 -7.701 -7.127) 10.697 6.258 ( -2.078 -7.701 7.127) 10.697 6.923 ( 3.039 4.036 -1.189) 5.190 6.923 ( 3.039 4.036 1.189) 5.190 7.150 ( 0.250 -1.461 -2.481) 2.890 7.150 ( 0.250 -1.461 2.481) 2.890 7.339 ( 1.599 0.183 -0.200) 1.622 7.339 ( 1.599 0.183 0.200) 1.622 7.510 ( -0.787 -1.464 -1.578) 2.292 7.510 ( -0.787 -1.464 1.578) 2.292 8.303 ( 0.233 2.559 -1.320) 2.889 8.303 ( 0.233 2.559 1.320) 2.889 8.365 ( -1.517 -2.845 -1.310) 3.480 8.365 ( -1.517 -2.845 1.310) 3.480 9.296 ( -1.011 10.520 -3.576) 11.157 9.296 ( -1.011 10.520 3.576) 11.157 9.473 ( -0.321 -6.433 -4.170) 7.673 9.473 ( -0.321 -6.433 4.170) 7.673 9.684 ( 2.102 0.583 -1.030) 2.413 9.684 ( 2.102 0.583 1.030) 2.413 9.716 ( 0.195 -1.344 -0.924) 1.643 9.716 ( 0.195 -1.344 0.924) 1.643 10.090 ( 0.613 3.241 -0.617) 3.356 10.090 ( 0.613 3.241 0.617) 3.356 10.160 ( -0.480 -0.270 -1.015) 1.155 10.160 ( -0.480 -0.270 1.015) 1.155 10.423 ( 0.949 1.046 -1.004) 1.733 10.423 ( 0.949 1.046 1.004) 1.733 10.558 ( -3.301 -3.931 -3.994) 6.503 10.558 ( -3.301 -3.931 3.994) 6.503 11.129 ( 4.760 6.175 -2.766) 8.273 11.129 ( 4.760 6.175 2.766) 8.273 11.580 ( -2.875 -9.162 -4.495) 10.602 11.580 ( -2.875 -9.162 4.495) 10.602 12.958 ( 0.107 8.091 -0.147) 8.093 12.958 ( 0.107 8.091 0.147) 8.093 13.098 ( -0.109 -4.893 -0.787) 4.957 13.098 ( -0.109 -4.893 0.787) 4.957 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.645 -1.230 -3.139) 3.433 1.580 ( 0.645 -1.230 3.139) 3.433 1.636 ( -4.570 -2.072 -1.703) 5.299 1.636 ( -4.570 -2.072 1.703) 5.299 1.948 ( 3.156 7.841 -1.985) 8.682 1.948 ( 3.156 7.841 1.985) 8.682 2.133 ( 0.305 -6.064 -1.388) 6.228 2.133 ( 0.305 -6.064 1.388) 6.228 2.604 ( 0.095 9.660 -2.124) 9.891 2.604 ( 0.095 9.660 2.124) 9.891 2.739 ( 0.786 -0.187 -0.626) 1.022 2.739 ( 0.786 -0.187 0.626) 1.022 2.792 ( 4.259 2.048 -5.272) 7.080 2.792 ( 4.259 2.048 5.272) 7.080 2.910 ( -6.488 -3.247 -4.729) 8.660 2.910 ( -6.488 -3.247 4.729) 8.660 3.116 ( -1.085 11.863 -0.602) 11.928 3.116 ( -1.085 11.863 0.602) 11.928 3.261 ( -1.775 -2.328 -1.427) 3.257 3.261 ( -1.775 -2.328 1.427) 3.257 3.323 ( 1.431 0.455 -0.595) 1.615 3.323 ( 1.431 0.455 0.595) 1.615 3.418 ( 0.321 -5.400 -0.667) 5.451 3.418 ( 0.321 -5.400 0.667) 5.451 3.586 ( 1.090 7.118 -1.122) 7.287 3.586 ( 1.090 7.118 1.122) 7.287 3.707 ( 1.336 -4.025 -1.399) 4.466 3.707 ( 1.336 -4.025 1.399) 4.466 3.871 ( -1.287 0.970 -1.306) 2.074 3.871 ( -1.287 0.970 1.306) 2.074 3.957 ( 1.206 -6.316 -1.681) 6.646 3.957 ( 1.206 -6.316 1.681) 6.646 4.257 ( -1.041 3.731 -0.882) 3.972 4.257 ( -1.041 3.731 0.882) 3.972 4.341 ( -0.150 -1.845 -0.522) 1.923 4.341 ( -0.150 -1.845 0.522) 1.923 4.596 ( 0.674 4.027 -3.468) 5.357 4.596 ( 0.674 4.027 3.468) 5.357 4.623 ( -2.009 1.642 -0.665) 2.678 4.623 ( -2.009 1.642 0.665) 2.678 4.906 ( 4.808 -0.200 -1.717) 5.109 4.906 ( 4.808 -0.200 1.717) 5.109 4.995 ( -3.872 1.738 -2.615) 4.985 4.995 ( -3.872 1.738 2.615) 4.985 5.076 ( 1.710 -0.638 -0.382) 1.865 5.076 ( 1.710 -0.638 0.382) 1.865 5.170 ( 1.706 -5.625 -2.689) 6.464 5.170 ( 1.706 -5.625 2.689) 6.464 5.374 ( 1.162 -2.515 -1.827) 3.319 5.374 ( 1.162 -2.515 1.827) 3.319 5.438 ( -4.154 -0.729 -1.812) 4.590 5.438 ( -4.154 -0.729 1.812) 4.590 5.864 ( 3.753 2.213 -2.145) 4.856 5.864 ( 3.753 2.213 2.145) 4.856 5.907 ( 0.895 -1.317 -1.775) 2.385 5.907 ( 0.895 -1.317 1.775) 2.385 6.034 ( -4.521 6.878 -3.495) 8.942 6.034 ( -4.521 6.878 3.495) 8.942 6.220 ( -1.475 -10.794 -3.193) 11.352 6.220 ( -1.475 -10.794 3.193) 11.352 6.982 ( 2.540 6.982 -0.853) 7.478 6.982 ( 2.540 6.982 0.853) 7.478 7.135 ( -1.405 -3.973 -1.402) 4.442 7.135 ( -1.405 -3.973 1.402) 4.442 7.388 ( 2.901 1.753 -0.287) 3.402 7.388 ( 2.901 1.753 0.287) 3.402 7.485 ( -1.713 -3.677 -0.938) 4.163 7.485 ( -1.713 -3.677 0.938) 4.163 8.311 ( 0.536 1.126 -0.423) 1.317 8.311 ( 0.536 1.126 0.423) 1.317 8.336 ( -1.343 -1.319 -0.933) 2.101 8.336 ( -1.343 -1.319 0.933) 2.101 9.280 ( -0.539 11.272 -1.245) 11.354 9.280 ( -0.539 11.272 1.245) 11.354 9.469 ( -0.141 -6.520 -1.488) 6.689 9.469 ( -0.141 -6.520 1.488) 6.689 9.715 ( 0.501 -0.346 -1.087) 1.246 9.715 ( 0.501 -0.346 1.087) 1.246 9.723 ( 0.832 -2.164 -1.638) 2.839 9.723 ( 0.832 -2.164 1.638) 2.839 10.093 ( -0.199 4.024 -0.172) 4.033 10.093 ( -0.199 4.024 0.172) 4.033 10.161 ( 0.449 -2.320 -0.872) 2.519 10.161 ( 0.449 -2.320 0.872) 2.519 10.446 ( 1.662 0.646 -0.589) 1.878 10.446 ( 1.662 0.646 0.589) 1.878 10.493 ( -3.170 -0.316 -1.767) 3.643 10.493 ( -3.170 -0.316 1.767) 3.643 11.219 ( 3.739 9.940 -1.981) 10.803 11.219 ( 3.739 9.940 1.981) 10.803 11.519 ( -2.747 -13.848 -2.490) 14.335 11.519 ( -2.747 -13.848 2.490) 14.335 12.960 ( 0.062 8.418 -0.070) 8.418 12.960 ( 0.062 8.418 0.070) 8.418 13.096 ( -0.064 -5.209 -0.309) 5.219 13.096 ( -0.064 -5.209 0.309) 5.219 =================== 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 3/26880 10.0 314.265 281.690 342.555 0.000 0.000 -0.000 3/26880 20.0 56.283 73.052 54.288 0.000 0.000 -0.000 3/26880 30.0 18.378 27.241 17.866 0.000 0.000 -0.000 3/26880 40.0 9.028 14.281 8.960 0.000 0.000 -0.000 3/26880 50.0 5.582 9.159 5.626 0.000 0.000 -0.000 3/26880 60.0 3.947 6.617 4.020 0.000 0.000 -0.000 3/26880 70.0 3.034 5.153 3.112 0.000 0.000 -0.000 3/26880 80.0 2.463 4.221 2.538 0.000 0.000 -0.000 3/26880 90.0 2.077 3.582 2.148 0.000 0.000 -0.000 3/26880 100.0 1.800 3.120 1.866 0.000 0.000 -0.000 3/26880 110.0 1.592 2.772 1.653 0.000 0.000 -0.000 3/26880 120.0 1.430 2.500 1.486 0.000 0.000 -0.000 3/26880 130.0 1.300 2.281 1.352 0.000 0.000 -0.000 3/26880 140.0 1.194 2.101 1.242 0.000 0.000 -0.000 3/26880 150.0 1.104 1.950 1.150 0.000 0.000 -0.000 3/26880 160.0 1.029 1.821 1.071 0.000 0.000 -0.000 3/26880 170.0 0.963 1.709 1.003 0.000 0.000 -0.000 3/26880 180.0 0.906 1.612 0.944 0.000 0.000 -0.000 3/26880 190.0 0.855 1.526 0.891 0.000 0.000 -0.000 3/26880 200.0 0.811 1.449 0.845 0.000 0.000 -0.000 3/26880 210.0 0.770 1.380 0.803 0.000 0.000 -0.000 3/26880 220.0 0.734 1.317 0.765 0.000 0.000 -0.000 3/26880 230.0 0.701 1.260 0.731 0.000 0.000 -0.000 3/26880 240.0 0.671 1.208 0.700 0.000 0.000 -0.000 3/26880 250.0 0.644 1.161 0.671 0.000 0.000 -0.000 3/26880 260.0 0.619 1.117 0.645 0.000 0.000 -0.000 3/26880 270.0 0.596 1.076 0.621 0.000 0.000 -0.000 3/26880 280.0 0.574 1.038 0.598 0.000 0.000 -0.000 3/26880 290.0 0.554 1.003 0.578 0.000 0.000 -0.000 3/26880 300.0 0.535 0.970 0.558 0.000 0.000 -0.000 3/26880 310.0 0.518 0.939 0.540 0.000 0.000 -0.000 3/26880 320.0 0.502 0.910 0.523 0.000 0.000 -0.000 3/26880 330.0 0.486 0.883 0.507 0.000 0.000 -0.000 3/26880 340.0 0.472 0.858 0.492 0.000 0.000 -0.000 3/26880 350.0 0.458 0.834 0.478 0.000 0.000 -0.000 3/26880 360.0 0.446 0.811 0.465 0.000 0.000 -0.000 3/26880 370.0 0.434 0.789 0.452 0.000 0.000 -0.000 3/26880 380.0 0.422 0.769 0.440 0.000 0.000 -0.000 3/26880 390.0 0.411 0.750 0.429 0.000 0.000 -0.000 3/26880 400.0 0.401 0.731 0.418 0.000 0.000 -0.000 3/26880 410.0 0.391 0.714 0.408 0.000 0.000 -0.000 3/26880 420.0 0.382 0.697 0.398 0.000 0.000 -0.000 3/26880 430.0 0.373 0.681 0.389 0.000 0.000 -0.000 3/26880 440.0 0.365 0.666 0.380 0.000 0.000 -0.000 3/26880 450.0 0.356 0.651 0.372 0.000 0.000 -0.000 3/26880 460.0 0.349 0.637 0.364 0.000 0.000 -0.000 3/26880 470.0 0.341 0.624 0.356 0.000 0.000 -0.000 3/26880 480.0 0.334 0.611 0.348 0.000 0.000 -0.000 3/26880 490.0 0.327 0.599 0.341 0.000 0.000 -0.000 3/26880 500.0 0.321 0.587 0.334 0.000 0.000 -0.000 3/26880 510.0 0.314 0.575 0.328 0.000 0.000 -0.000 3/26880 520.0 0.308 0.564 0.322 0.000 0.000 -0.000 3/26880 530.0 0.303 0.554 0.316 0.000 0.000 -0.000 3/26880 540.0 0.297 0.544 0.310 0.000 0.000 -0.000 3/26880 550.0 0.292 0.534 0.304 0.000 0.000 -0.000 3/26880 560.0 0.286 0.525 0.299 0.000 0.000 -0.000 3/26880 570.0 0.281 0.515 0.293 0.000 0.000 -0.000 3/26880 580.0 0.277 0.507 0.288 0.000 0.000 -0.000 3/26880 590.0 0.272 0.498 0.283 0.000 0.000 -0.000 3/26880 600.0 0.267 0.490 0.279 0.000 0.000 -0.000 3/26880 610.0 0.263 0.482 0.274 0.000 0.000 -0.000 3/26880 620.0 0.259 0.474 0.270 0.000 0.000 -0.000 3/26880 630.0 0.255 0.467 0.265 0.000 0.000 -0.000 3/26880 640.0 0.251 0.460 0.261 0.000 0.000 -0.000 3/26880 650.0 0.247 0.453 0.257 0.000 0.000 -0.000 3/26880 660.0 0.243 0.446 0.253 0.000 0.000 -0.000 3/26880 670.0 0.239 0.439 0.250 0.000 0.000 -0.000 3/26880 680.0 0.236 0.433 0.246 0.000 0.000 -0.000 3/26880 690.0 0.232 0.427 0.242 0.000 0.000 -0.000 3/26880 700.0 0.229 0.420 0.239 0.000 0.000 -0.000 3/26880 710.0 0.226 0.415 0.236 0.000 0.000 -0.000 3/26880 720.0 0.223 0.409 0.232 0.000 0.000 -0.000 3/26880 730.0 0.220 0.403 0.229 0.000 0.000 -0.000 3/26880 740.0 0.217 0.398 0.226 0.000 0.000 -0.000 3/26880 750.0 0.214 0.393 0.223 0.000 0.000 -0.000 3/26880 760.0 0.211 0.387 0.220 0.000 0.000 -0.000 3/26880 770.0 0.208 0.382 0.217 0.000 0.000 -0.000 3/26880 780.0 0.206 0.378 0.214 0.000 0.000 -0.000 3/26880 790.0 0.203 0.373 0.212 0.000 0.000 -0.000 3/26880 800.0 0.201 0.368 0.209 0.000 0.000 -0.000 3/26880 810.0 0.198 0.364 0.207 0.000 0.000 -0.000 3/26880 820.0 0.196 0.359 0.204 0.000 0.000 -0.000 3/26880 830.0 0.193 0.355 0.202 0.000 0.000 -0.000 3/26880 840.0 0.191 0.351 0.199 0.000 0.000 -0.000 3/26880 850.0 0.189 0.347 0.197 0.000 0.000 -0.000 3/26880 860.0 0.187 0.343 0.195 0.000 0.000 -0.000 3/26880 870.0 0.184 0.339 0.192 0.000 0.000 -0.000 3/26880 880.0 0.182 0.335 0.190 0.000 0.000 -0.000 3/26880 890.0 0.180 0.331 0.188 0.000 0.000 -0.000 3/26880 900.0 0.178 0.328 0.186 0.000 0.000 -0.000 3/26880 910.0 0.176 0.324 0.184 0.000 0.000 -0.000 3/26880 920.0 0.174 0.320 0.182 0.000 0.000 -0.000 3/26880 930.0 0.173 0.317 0.180 0.000 0.000 -0.000 3/26880 940.0 0.171 0.314 0.178 0.000 0.000 -0.000 3/26880 950.0 0.169 0.310 0.176 0.000 0.000 -0.000 3/26880 960.0 0.167 0.307 0.174 0.000 0.000 -0.000 3/26880 970.0 0.165 0.304 0.172 0.000 0.000 -0.000 3/26880 980.0 0.164 0.301 0.171 0.000 0.000 -0.000 3/26880 990.0 0.162 0.298 0.169 0.000 0.000 -0.000 3/26880 1000.0 0.160 0.295 0.167 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m578.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:27:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|