----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:22:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.171579780057229 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992775740000001 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): *1 N 0.08761653231998 0.25314681197557 0.51441229354285 14.007 2 N 0.91238346768002 0.75314681197557 0.98558770645715 14.007 3 N 0.91238346768002 0.74685318802443 0.48558770645715 14.007 4 N 0.08761653231998 0.24685318802443 0.01441229354285 14.007 *5 N 0.83519257721279 0.08697433733274 0.18835917532489 14.007 6 N 0.16480742278721 0.58697433733274 0.31164082467511 14.007 *7 N 0.30256046960633 0.38883740847595 0.88228370686875 14.007 8 N 0.69743953039367 0.88883740847595 0.61771629313125 14.007 9 N 0.69743953039367 0.61116259152405 0.11771629313125 14.007 10 N 0.30256046960633 0.11116259152405 0.38228370686875 14.007 *11 N 0.40421745389823 0.48200782351523 0.60967379553935 14.007 12 N 0.59578254610177 0.98200782351523 0.89032620446065 14.007 13 N 0.59578254610177 0.51799217648477 0.39032620446065 14.007 14 N 0.40421745389823 0.01799217648477 0.10967379553935 14.007 15 N 0.16480742278721 0.91302566266726 0.81164082467511 14.007 16 N 0.83519257721279 0.41302566266726 0.68835917532489 14.007 *17 Ca 0.84282349137342 0.41484914328625 0.34539821146570 40.078 18 Ca 0.15717650862658 0.91484914328625 0.15460178853430 40.078 19 Ca 0.15717650862658 0.58515085671375 0.65460178853430 40.078 20 Ca 0.84282349137342 0.08515085671375 0.84539821146570 40.078 *21 Ca 0.04718886830465 0.92327890702367 0.37902208214599 40.078 22 Ca 0.95281113169535 0.42327890702367 0.12097791785401 40.078 *23 Ca 0.35363320033968 0.15517663832442 0.72955628712657 40.078 24 Ca 0.64636679966032 0.65517663832442 0.77044371287343 40.078 25 Ca 0.64636679966032 0.84482336167558 0.27044371287343 40.078 26 Ca 0.35363320033968 0.34482336167558 0.22955628712657 40.078 *27 Ca 0.42248839211178 0.74426671739002 0.95583191540080 40.078 28 Ca 0.57751160788822 0.24426671739002 0.54416808459920 40.078 29 Ca 0.57751160788822 0.25573328260998 0.04416808459920 40.078 30 Ca 0.42248839211178 0.75573328260998 0.45583191540080 40.078 31 Ca 0.95281113169535 0.07672109297633 0.62097791785401 40.078 32 Ca 0.04718886830465 0.57672109297633 0.87902208214599 40.078 *33 Ge 0.22973430064379 0.13999377673227 0.94592071234790 72.640 34 Ge 0.77026569935621 0.63999377673227 0.55407928765210 72.640 35 Ge 0.77026569935621 0.86000622326773 0.05407928765210 72.640 36 Ge 0.22973430064379 0.36000622326773 0.44592071234790 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.171579780057229 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992775740000001 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): *1 N 0.08761653231998 0.25314681197557 0.51441229354285 14.007 > 1 2 N 0.91238346768002 0.75314681197557 0.98558770645715 14.007 > 2 3 N 0.91238346768002 0.74685318802443 0.48558770645715 14.007 > 3 4 N 0.08761653231998 0.24685318802443 0.01441229354285 14.007 > 4 *5 N 0.83519257721279 0.08697433733274 0.18835917532489 14.007 > 5 6 N 0.16480742278721 0.58697433733274 0.31164082467511 14.007 > 6 *7 N 0.30256046960633 0.38883740847595 0.88228370686875 14.007 > 7 8 N 0.69743953039367 0.88883740847595 0.61771629313125 14.007 > 8 9 N 0.69743953039367 0.61116259152405 0.11771629313125 14.007 > 9 10 N 0.30256046960633 0.11116259152405 0.38228370686875 14.007 > 10 *11 N 0.40421745389823 0.48200782351523 0.60967379553935 14.007 > 11 12 N 0.59578254610177 0.98200782351523 0.89032620446065 14.007 > 12 13 N 0.59578254610177 0.51799217648477 0.39032620446065 14.007 > 13 14 N 0.40421745389823 0.01799217648477 0.10967379553935 14.007 > 14 15 N 0.16480742278721 0.91302566266726 0.81164082467511 14.007 > 15 16 N 0.83519257721279 0.41302566266726 0.68835917532489 14.007 > 16 *17 Ca 0.84282349137342 0.41484914328625 0.34539821146570 40.078 > 17 18 Ca 0.15717650862658 0.91484914328625 0.15460178853430 40.078 > 18 19 Ca 0.15717650862658 0.58515085671375 0.65460178853430 40.078 > 19 20 Ca 0.84282349137342 0.08515085671375 0.84539821146570 40.078 > 20 *21 Ca 0.04718886830465 0.92327890702367 0.37902208214599 40.078 > 21 22 Ca 0.95281113169535 0.42327890702367 0.12097791785401 40.078 > 22 *23 Ca 0.35363320033968 0.15517663832442 0.72955628712657 40.078 > 23 24 Ca 0.64636679966032 0.65517663832442 0.77044371287343 40.078 > 24 25 Ca 0.64636679966032 0.84482336167558 0.27044371287343 40.078 > 25 26 Ca 0.35363320033968 0.34482336167558 0.22955628712657 40.078 > 26 *27 Ca 0.42248839211178 0.74426671739002 0.95583191540080 40.078 > 27 28 Ca 0.57751160788822 0.24426671739002 0.54416808459920 40.078 > 28 29 Ca 0.57751160788822 0.25573328260998 0.04416808459920 40.078 > 29 30 Ca 0.42248839211178 0.75573328260998 0.45583191540080 40.078 > 30 31 Ca 0.95281113169535 0.07672109297633 0.62097791785401 40.078 > 31 32 Ca 0.04718886830465 0.57672109297633 0.87902208214599 40.078 > 32 *33 Ge 0.22973430064379 0.13999377673227 0.94592071234790 72.640 > 33 34 Ge 0.77026569935621 0.63999377673227 0.55407928765210 72.640 > 34 35 Ge 0.77026569935621 0.86000622326773 0.05407928765210 72.640 > 35 36 Ge 0.22973430064379 0.36000622326773 0.44592071234790 72.640 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.343159560114458 0.000000000000000 0.000000000000000 b 0.000000000000000 11.985551480000002 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): *1 N 0.04380826615999 0.12657340598779 0.51441229354285 14.007 > 1 2 N 0.54380826615999 0.12657340598779 0.51441229354285 14.007 > 1 3 N 0.04380826615999 0.62657340598779 0.51441229354285 14.007 > 1 4 N 0.54380826615999 0.62657340598779 0.51441229354285 14.007 > 1 5 N 0.45619173384001 0.37657340598779 0.98558770645715 14.007 > 2 6 N 0.95619173384001 0.37657340598779 0.98558770645715 14.007 > 2 7 N 0.45619173384001 0.87657340598779 0.98558770645715 14.007 > 2 8 N 0.95619173384001 0.87657340598779 0.98558770645715 14.007 > 2 9 N 0.45619173384001 0.37342659401221 0.48558770645715 14.007 > 3 10 N 0.95619173384001 0.37342659401221 0.48558770645715 14.007 > 3 11 N 0.45619173384001 0.87342659401221 0.48558770645715 14.007 > 3 12 N 0.95619173384001 0.87342659401221 0.48558770645715 14.007 > 3 13 N 0.04380826615999 0.12342659401221 0.01441229354285 14.007 > 4 14 N 0.54380826615999 0.12342659401221 0.01441229354285 14.007 > 4 15 N 0.04380826615999 0.62342659401221 0.01441229354285 14.007 > 4 16 N 0.54380826615999 0.62342659401221 0.01441229354285 14.007 > 4 *17 N 0.41759628860640 0.04348716866637 0.18835917532489 14.007 > 5 18 N 0.91759628860640 0.04348716866637 0.18835917532489 14.007 > 5 19 N 0.41759628860640 0.54348716866637 0.18835917532489 14.007 > 5 20 N 0.91759628860640 0.54348716866637 0.18835917532489 14.007 > 5 21 N 0.08240371139360 0.29348716866637 0.31164082467511 14.007 > 6 22 N 0.58240371139360 0.29348716866637 0.31164082467511 14.007 > 6 23 N 0.08240371139360 0.79348716866637 0.31164082467511 14.007 > 6 24 N 0.58240371139360 0.79348716866637 0.31164082467511 14.007 > 6 *25 N 0.15128023480317 0.19441870423797 0.88228370686875 14.007 > 7 26 N 0.65128023480317 0.19441870423797 0.88228370686875 14.007 > 7 27 N 0.15128023480317 0.69441870423797 0.88228370686875 14.007 > 7 28 N 0.65128023480317 0.69441870423797 0.88228370686875 14.007 > 7 29 N 0.34871976519683 0.44441870423797 0.61771629313125 14.007 > 8 30 N 0.84871976519683 0.44441870423797 0.61771629313125 14.007 > 8 31 N 0.34871976519683 0.94441870423797 0.61771629313125 14.007 > 8 32 N 0.84871976519683 0.94441870423797 0.61771629313125 14.007 > 8 33 N 0.34871976519683 0.30558129576203 0.11771629313125 14.007 > 9 34 N 0.84871976519683 0.30558129576203 0.11771629313125 14.007 > 9 35 N 0.34871976519683 0.80558129576203 0.11771629313125 14.007 > 9 36 N 0.84871976519683 0.80558129576203 0.11771629313125 14.007 > 9 37 N 0.15128023480317 0.05558129576203 0.38228370686875 14.007 > 10 38 N 0.65128023480317 0.05558129576203 0.38228370686875 14.007 > 10 39 N 0.15128023480317 0.55558129576203 0.38228370686875 14.007 > 10 40 N 0.65128023480317 0.55558129576203 0.38228370686875 14.007 > 10 *41 N 0.20210872694911 0.24100391175761 0.60967379553935 14.007 > 11 42 N 0.70210872694911 0.24100391175761 0.60967379553935 14.007 > 11 43 N 0.20210872694911 0.74100391175761 0.60967379553935 14.007 > 11 44 N 0.70210872694911 0.74100391175761 0.60967379553935 14.007 > 11 45 N 0.29789127305089 0.49100391175761 0.89032620446065 14.007 > 12 46 N 0.79789127305089 0.49100391175761 0.89032620446065 14.007 > 12 47 N 0.29789127305089 0.99100391175761 0.89032620446065 14.007 > 12 48 N 0.79789127305089 0.99100391175761 0.89032620446065 14.007 > 12 49 N 0.29789127305089 0.25899608824239 0.39032620446065 14.007 > 13 50 N 0.79789127305089 0.25899608824239 0.39032620446065 14.007 > 13 51 N 0.29789127305089 0.75899608824239 0.39032620446065 14.007 > 13 52 N 0.79789127305089 0.75899608824239 0.39032620446065 14.007 > 13 53 N 0.20210872694911 0.00899608824239 0.10967379553935 14.007 > 14 54 N 0.70210872694911 0.00899608824239 0.10967379553935 14.007 > 14 55 N 0.20210872694911 0.50899608824239 0.10967379553935 14.007 > 14 56 N 0.70210872694911 0.50899608824239 0.10967379553935 14.007 > 14 57 N 0.08240371139360 0.45651283133363 0.81164082467511 14.007 > 15 58 N 0.58240371139360 0.45651283133363 0.81164082467511 14.007 > 15 59 N 0.08240371139360 0.95651283133363 0.81164082467511 14.007 > 15 60 N 0.58240371139360 0.95651283133363 0.81164082467511 14.007 > 15 61 N 0.41759628860640 0.20651283133363 0.68835917532489 14.007 > 16 62 N 0.91759628860640 0.20651283133363 0.68835917532489 14.007 > 16 63 N 0.41759628860640 0.70651283133363 0.68835917532489 14.007 > 16 64 N 0.91759628860640 0.70651283133363 0.68835917532489 14.007 > 16 *65 Ca 0.42141174568671 0.20742457164313 0.34539821146570 40.078 > 17 66 Ca 0.92141174568671 0.20742457164313 0.34539821146570 40.078 > 17 67 Ca 0.42141174568671 0.70742457164313 0.34539821146570 40.078 > 17 68 Ca 0.92141174568671 0.70742457164313 0.34539821146570 40.078 > 17 69 Ca 0.07858825431329 0.45742457164313 0.15460178853430 40.078 > 18 70 Ca 0.57858825431329 0.45742457164313 0.15460178853430 40.078 > 18 71 Ca 0.07858825431329 0.95742457164313 0.15460178853430 40.078 > 18 72 Ca 0.57858825431329 0.95742457164313 0.15460178853430 40.078 > 18 73 Ca 0.07858825431329 0.29257542835687 0.65460178853430 40.078 > 19 74 Ca 0.57858825431329 0.29257542835687 0.65460178853430 40.078 > 19 75 Ca 0.07858825431329 0.79257542835687 0.65460178853430 40.078 > 19 76 Ca 0.57858825431329 0.79257542835687 0.65460178853430 40.078 > 19 77 Ca 0.42141174568671 0.04257542835687 0.84539821146570 40.078 > 20 78 Ca 0.92141174568671 0.04257542835687 0.84539821146570 40.078 > 20 79 Ca 0.42141174568671 0.54257542835687 0.84539821146570 40.078 > 20 80 Ca 0.92141174568671 0.54257542835687 0.84539821146570 40.078 > 20 *81 Ca 0.02359443415233 0.46163945351183 0.37902208214599 40.078 > 21 82 Ca 0.52359443415233 0.46163945351183 0.37902208214599 40.078 > 21 83 Ca 0.02359443415233 0.96163945351183 0.37902208214599 40.078 > 21 84 Ca 0.52359443415233 0.96163945351183 0.37902208214599 40.078 > 21 85 Ca 0.47640556584767 0.21163945351183 0.12097791785401 40.078 > 22 86 Ca 0.97640556584767 0.21163945351183 0.12097791785401 40.078 > 22 87 Ca 0.47640556584767 0.71163945351183 0.12097791785401 40.078 > 22 88 Ca 0.97640556584767 0.71163945351183 0.12097791785401 40.078 > 22 *89 Ca 0.17681660016984 0.07758831916221 0.72955628712657 40.078 > 23 90 Ca 0.67681660016984 0.07758831916221 0.72955628712657 40.078 > 23 91 Ca 0.17681660016984 0.57758831916221 0.72955628712657 40.078 > 23 92 Ca 0.67681660016984 0.57758831916221 0.72955628712657 40.078 > 23 93 Ca 0.32318339983016 0.32758831916221 0.77044371287343 40.078 > 24 94 Ca 0.82318339983016 0.32758831916221 0.77044371287343 40.078 > 24 95 Ca 0.32318339983016 0.82758831916221 0.77044371287343 40.078 > 24 96 Ca 0.82318339983016 0.82758831916221 0.77044371287343 40.078 > 24 97 Ca 0.32318339983016 0.42241168083779 0.27044371287343 40.078 > 25 98 Ca 0.82318339983016 0.42241168083779 0.27044371287343 40.078 > 25 99 Ca 0.32318339983016 0.92241168083779 0.27044371287343 40.078 > 25 100 Ca 0.82318339983016 0.92241168083779 0.27044371287343 40.078 > 25 101 Ca 0.17681660016984 0.17241168083779 0.22955628712657 40.078 > 26 102 Ca 0.67681660016984 0.17241168083779 0.22955628712657 40.078 > 26 103 Ca 0.17681660016984 0.67241168083779 0.22955628712657 40.078 > 26 104 Ca 0.67681660016984 0.67241168083779 0.22955628712657 40.078 > 26 *105 Ca 0.21124419605589 0.37213335869501 0.95583191540080 40.078 > 27 106 Ca 0.71124419605589 0.37213335869501 0.95583191540080 40.078 > 27 107 Ca 0.21124419605589 0.87213335869501 0.95583191540080 40.078 > 27 108 Ca 0.71124419605589 0.87213335869501 0.95583191540080 40.078 > 27 109 Ca 0.28875580394411 0.12213335869501 0.54416808459920 40.078 > 28 110 Ca 0.78875580394411 0.12213335869501 0.54416808459920 40.078 > 28 111 Ca 0.28875580394411 0.62213335869501 0.54416808459920 40.078 > 28 112 Ca 0.78875580394411 0.62213335869501 0.54416808459920 40.078 > 28 113 Ca 0.28875580394411 0.12786664130499 0.04416808459920 40.078 > 29 114 Ca 0.78875580394411 0.12786664130499 0.04416808459920 40.078 > 29 115 Ca 0.28875580394411 0.62786664130499 0.04416808459920 40.078 > 29 116 Ca 0.78875580394411 0.62786664130499 0.04416808459920 40.078 > 29 117 Ca 0.21124419605589 0.37786664130499 0.45583191540080 40.078 > 30 118 Ca 0.71124419605589 0.37786664130499 0.45583191540080 40.078 > 30 119 Ca 0.21124419605589 0.87786664130499 0.45583191540080 40.078 > 30 120 Ca 0.71124419605589 0.87786664130499 0.45583191540080 40.078 > 30 121 Ca 0.47640556584767 0.03836054648817 0.62097791785401 40.078 > 31 122 Ca 0.97640556584767 0.03836054648817 0.62097791785401 40.078 > 31 123 Ca 0.47640556584767 0.53836054648817 0.62097791785401 40.078 > 31 124 Ca 0.97640556584767 0.53836054648817 0.62097791785401 40.078 > 31 125 Ca 0.02359443415233 0.28836054648817 0.87902208214599 40.078 > 32 126 Ca 0.52359443415233 0.28836054648817 0.87902208214599 40.078 > 32 127 Ca 0.02359443415233 0.78836054648817 0.87902208214599 40.078 > 32 128 Ca 0.52359443415233 0.78836054648817 0.87902208214599 40.078 > 32 *129 Ge 0.11486715032189 0.06999688836614 0.94592071234790 72.640 > 33 130 Ge 0.61486715032189 0.06999688836614 0.94592071234790 72.640 > 33 131 Ge 0.11486715032189 0.56999688836614 0.94592071234790 72.640 > 33 132 Ge 0.61486715032189 0.56999688836614 0.94592071234790 72.640 > 33 133 Ge 0.38513284967811 0.31999688836614 0.55407928765210 72.640 > 34 134 Ge 0.88513284967811 0.31999688836614 0.55407928765210 72.640 > 34 135 Ge 0.38513284967811 0.81999688836614 0.55407928765210 72.640 > 34 136 Ge 0.88513284967811 0.81999688836614 0.55407928765210 72.640 > 34 137 Ge 0.38513284967811 0.43000311163386 0.05407928765210 72.640 > 35 138 Ge 0.88513284967811 0.43000311163386 0.05407928765210 72.640 > 35 139 Ge 0.38513284967811 0.93000311163386 0.05407928765210 72.640 > 35 140 Ge 0.88513284967811 0.93000311163386 0.05407928765210 72.640 > 35 141 Ge 0.11486715032189 0.18000311163386 0.44592071234790 72.640 > 36 142 Ge 0.61486715032189 0.18000311163386 0.44592071234790 72.640 > 36 143 Ge 0.11486715032189 0.68000311163386 0.44592071234790 72.640 > 36 144 Ge 0.61486715032189 0.68000311163386 0.44592071234790 72.640 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0742081 0.0000000 -0.1042129 0.0000000 6.2636006 0.0000000 -0.1042099 0.0000000 6.4448169 -------------------------- Born effective charges -------------------------- 1 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 2 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 3 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 4 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 5 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 6 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 7 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 8 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 9 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 10 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 11 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 12 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 13 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 14 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 15 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 16 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 17 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 18 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 19 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 20 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 21 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 22 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 23 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 24 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 25 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 26 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 27 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 28 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 29 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 30 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 31 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 32 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 33 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 34 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 35 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 36 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 1120 - Time: 3.864 Solver_block: 200 / 1120 - Time: 4.345 Solver_block: 300 / 1120 - Time: 4.367 Solver_block: 400 / 1120 - Time: 2.627 Solver_block: 500 / 1120 - Time: 3.066 Solver_block: 600 / 1120 - Time: 2.402 Solver_block: 700 / 1120 - Time: 2.538 Solver_block: 800 / 1120 - Time: 2.465 Solver_block: 900 / 1120 - Time: 2.093 Solver_block: 1000 / 1120 - Time: 2.289 Solver_block: 1100 / 1120 - Time: 2.508 Solver_block: 1120 / 1120 - Time: 0.680 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 34.139 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 08:24:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.171579780057229 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992775740000001 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): 1 N 0.08761653231998 0.25314681197557 0.51441229354285 14.007 2 N 0.91238346768002 0.75314681197557 0.98558770645715 14.007 3 N 0.91238346768002 0.74685318802443 0.48558770645715 14.007 4 N 0.08761653231998 0.24685318802443 0.01441229354285 14.007 5 N 0.83519257721279 0.08697433733274 0.18835917532489 14.007 6 N 0.16480742278721 0.58697433733274 0.31164082467511 14.007 7 N 0.30256046960633 0.38883740847595 0.88228370686875 14.007 8 N 0.69743953039367 0.88883740847595 0.61771629313125 14.007 9 N 0.69743953039367 0.61116259152405 0.11771629313125 14.007 10 N 0.30256046960633 0.11116259152405 0.38228370686875 14.007 11 N 0.40421745389823 0.48200782351523 0.60967379553935 14.007 12 N 0.59578254610177 0.98200782351523 0.89032620446065 14.007 13 N 0.59578254610177 0.51799217648477 0.39032620446065 14.007 14 N 0.40421745389823 0.01799217648477 0.10967379553935 14.007 15 N 0.16480742278721 0.91302566266726 0.81164082467511 14.007 16 N 0.83519257721279 0.41302566266726 0.68835917532489 14.007 17 Ca 0.84282349137342 0.41484914328625 0.34539821146570 40.078 18 Ca 0.15717650862658 0.91484914328625 0.15460178853430 40.078 19 Ca 0.15717650862658 0.58515085671375 0.65460178853430 40.078 20 Ca 0.84282349137342 0.08515085671375 0.84539821146570 40.078 21 Ca 0.04718886830465 0.92327890702367 0.37902208214599 40.078 22 Ca 0.95281113169535 0.42327890702367 0.12097791785401 40.078 23 Ca 0.35363320033968 0.15517663832442 0.72955628712657 40.078 24 Ca 0.64636679966032 0.65517663832442 0.77044371287343 40.078 25 Ca 0.64636679966032 0.84482336167558 0.27044371287343 40.078 26 Ca 0.35363320033968 0.34482336167558 0.22955628712657 40.078 27 Ca 0.42248839211178 0.74426671739002 0.95583191540080 40.078 28 Ca 0.57751160788822 0.24426671739002 0.54416808459920 40.078 29 Ca 0.57751160788822 0.25573328260998 0.04416808459920 40.078 30 Ca 0.42248839211178 0.75573328260998 0.45583191540080 40.078 31 Ca 0.95281113169535 0.07672109297633 0.62097791785401 40.078 32 Ca 0.04718886830465 0.57672109297633 0.87902208214599 40.078 33 Ge 0.22973430064379 0.13999377673227 0.94592071234790 72.640 34 Ge 0.77026569935621 0.63999377673227 0.55407928765210 72.640 35 Ge 0.77026569935621 0.86000622326773 0.05407928765210 72.640 36 Ge 0.22973430064379 0.36000622326773 0.44592071234790 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.343159560114458 0.000000000000000 0.000000000000000 b 0.000000000000000 11.985551480000002 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): 1 N 0.04380826615999 0.12657340598779 0.51441229354285 14.007 > 1 2 N 0.54380826615999 0.12657340598779 0.51441229354285 14.007 > 1 3 N 0.04380826615999 0.62657340598779 0.51441229354285 14.007 > 1 4 N 0.54380826615999 0.62657340598779 0.51441229354285 14.007 > 1 5 N 0.45619173384001 0.37657340598779 0.98558770645715 14.007 > 5 6 N 0.95619173384001 0.37657340598779 0.98558770645715 14.007 > 5 7 N 0.45619173384001 0.87657340598779 0.98558770645715 14.007 > 5 8 N 0.95619173384001 0.87657340598779 0.98558770645715 14.007 > 5 9 N 0.45619173384001 0.37342659401221 0.48558770645715 14.007 > 9 10 N 0.95619173384001 0.37342659401221 0.48558770645715 14.007 > 9 11 N 0.45619173384001 0.87342659401221 0.48558770645715 14.007 > 9 12 N 0.95619173384001 0.87342659401221 0.48558770645715 14.007 > 9 13 N 0.04380826615999 0.12342659401221 0.01441229354285 14.007 > 13 14 N 0.54380826615999 0.12342659401221 0.01441229354285 14.007 > 13 15 N 0.04380826615999 0.62342659401221 0.01441229354285 14.007 > 13 16 N 0.54380826615999 0.62342659401221 0.01441229354285 14.007 > 13 17 N 0.41759628860640 0.04348716866637 0.18835917532489 14.007 > 17 18 N 0.91759628860640 0.04348716866637 0.18835917532489 14.007 > 17 19 N 0.41759628860640 0.54348716866637 0.18835917532489 14.007 > 17 20 N 0.91759628860640 0.54348716866637 0.18835917532489 14.007 > 17 21 N 0.08240371139360 0.29348716866637 0.31164082467511 14.007 > 21 22 N 0.58240371139360 0.29348716866637 0.31164082467511 14.007 > 21 23 N 0.08240371139360 0.79348716866637 0.31164082467511 14.007 > 21 24 N 0.58240371139360 0.79348716866637 0.31164082467511 14.007 > 21 25 N 0.15128023480317 0.19441870423797 0.88228370686875 14.007 > 25 26 N 0.65128023480317 0.19441870423797 0.88228370686875 14.007 > 25 27 N 0.15128023480317 0.69441870423797 0.88228370686875 14.007 > 25 28 N 0.65128023480317 0.69441870423797 0.88228370686875 14.007 > 25 29 N 0.34871976519683 0.44441870423797 0.61771629313125 14.007 > 29 30 N 0.84871976519683 0.44441870423797 0.61771629313125 14.007 > 29 31 N 0.34871976519683 0.94441870423797 0.61771629313125 14.007 > 29 32 N 0.84871976519683 0.94441870423797 0.61771629313125 14.007 > 29 33 N 0.34871976519683 0.30558129576203 0.11771629313125 14.007 > 33 34 N 0.84871976519683 0.30558129576203 0.11771629313125 14.007 > 33 35 N 0.34871976519683 0.80558129576203 0.11771629313125 14.007 > 33 36 N 0.84871976519683 0.80558129576203 0.11771629313125 14.007 > 33 37 N 0.15128023480317 0.05558129576203 0.38228370686875 14.007 > 37 38 N 0.65128023480317 0.05558129576203 0.38228370686875 14.007 > 37 39 N 0.15128023480317 0.55558129576203 0.38228370686875 14.007 > 37 40 N 0.65128023480317 0.55558129576203 0.38228370686875 14.007 > 37 41 N 0.20210872694911 0.24100391175761 0.60967379553935 14.007 > 41 42 N 0.70210872694911 0.24100391175761 0.60967379553935 14.007 > 41 43 N 0.20210872694911 0.74100391175761 0.60967379553935 14.007 > 41 44 N 0.70210872694911 0.74100391175761 0.60967379553935 14.007 > 41 45 N 0.29789127305089 0.49100391175761 0.89032620446065 14.007 > 45 46 N 0.79789127305089 0.49100391175761 0.89032620446065 14.007 > 45 47 N 0.29789127305089 0.99100391175761 0.89032620446065 14.007 > 45 48 N 0.79789127305089 0.99100391175761 0.89032620446065 14.007 > 45 49 N 0.29789127305089 0.25899608824239 0.39032620446065 14.007 > 49 50 N 0.79789127305089 0.25899608824239 0.39032620446065 14.007 > 49 51 N 0.29789127305089 0.75899608824239 0.39032620446065 14.007 > 49 52 N 0.79789127305089 0.75899608824239 0.39032620446065 14.007 > 49 53 N 0.20210872694911 0.00899608824239 0.10967379553935 14.007 > 53 54 N 0.70210872694911 0.00899608824239 0.10967379553935 14.007 > 53 55 N 0.20210872694911 0.50899608824239 0.10967379553935 14.007 > 53 56 N 0.70210872694911 0.50899608824239 0.10967379553935 14.007 > 53 57 N 0.08240371139360 0.45651283133363 0.81164082467511 14.007 > 57 58 N 0.58240371139360 0.45651283133363 0.81164082467511 14.007 > 57 59 N 0.08240371139360 0.95651283133363 0.81164082467511 14.007 > 57 60 N 0.58240371139360 0.95651283133363 0.81164082467511 14.007 > 57 61 N 0.41759628860640 0.20651283133363 0.68835917532489 14.007 > 61 62 N 0.91759628860640 0.20651283133363 0.68835917532489 14.007 > 61 63 N 0.41759628860640 0.70651283133363 0.68835917532489 14.007 > 61 64 N 0.91759628860640 0.70651283133363 0.68835917532489 14.007 > 61 65 Ca 0.42141174568671 0.20742457164313 0.34539821146570 40.078 > 65 66 Ca 0.92141174568671 0.20742457164313 0.34539821146570 40.078 > 65 67 Ca 0.42141174568671 0.70742457164313 0.34539821146570 40.078 > 65 68 Ca 0.92141174568671 0.70742457164313 0.34539821146570 40.078 > 65 69 Ca 0.07858825431329 0.45742457164313 0.15460178853430 40.078 > 69 70 Ca 0.57858825431329 0.45742457164313 0.15460178853430 40.078 > 69 71 Ca 0.07858825431329 0.95742457164313 0.15460178853430 40.078 > 69 72 Ca 0.57858825431329 0.95742457164313 0.15460178853430 40.078 > 69 73 Ca 0.07858825431329 0.29257542835687 0.65460178853430 40.078 > 73 74 Ca 0.57858825431329 0.29257542835687 0.65460178853430 40.078 > 73 75 Ca 0.07858825431329 0.79257542835687 0.65460178853430 40.078 > 73 76 Ca 0.57858825431329 0.79257542835687 0.65460178853430 40.078 > 73 77 Ca 0.42141174568671 0.04257542835687 0.84539821146570 40.078 > 77 78 Ca 0.92141174568671 0.04257542835687 0.84539821146570 40.078 > 77 79 Ca 0.42141174568671 0.54257542835687 0.84539821146570 40.078 > 77 80 Ca 0.92141174568671 0.54257542835687 0.84539821146570 40.078 > 77 81 Ca 0.02359443415233 0.46163945351183 0.37902208214599 40.078 > 81 82 Ca 0.52359443415233 0.46163945351183 0.37902208214599 40.078 > 81 83 Ca 0.02359443415233 0.96163945351183 0.37902208214599 40.078 > 81 84 Ca 0.52359443415233 0.96163945351183 0.37902208214599 40.078 > 81 85 Ca 0.47640556584767 0.21163945351183 0.12097791785401 40.078 > 85 86 Ca 0.97640556584767 0.21163945351183 0.12097791785401 40.078 > 85 87 Ca 0.47640556584767 0.71163945351183 0.12097791785401 40.078 > 85 88 Ca 0.97640556584767 0.71163945351183 0.12097791785401 40.078 > 85 89 Ca 0.17681660016984 0.07758831916221 0.72955628712657 40.078 > 89 90 Ca 0.67681660016984 0.07758831916221 0.72955628712657 40.078 > 89 91 Ca 0.17681660016984 0.57758831916221 0.72955628712657 40.078 > 89 92 Ca 0.67681660016984 0.57758831916221 0.72955628712657 40.078 > 89 93 Ca 0.32318339983016 0.32758831916221 0.77044371287343 40.078 > 93 94 Ca 0.82318339983016 0.32758831916221 0.77044371287343 40.078 > 93 95 Ca 0.32318339983016 0.82758831916221 0.77044371287343 40.078 > 93 96 Ca 0.82318339983016 0.82758831916221 0.77044371287343 40.078 > 93 97 Ca 0.32318339983016 0.42241168083779 0.27044371287343 40.078 > 97 98 Ca 0.82318339983016 0.42241168083779 0.27044371287343 40.078 > 97 99 Ca 0.32318339983016 0.92241168083779 0.27044371287343 40.078 > 97 100 Ca 0.82318339983016 0.92241168083779 0.27044371287343 40.078 > 97 101 Ca 0.17681660016984 0.17241168083779 0.22955628712657 40.078 > 101 102 Ca 0.67681660016984 0.17241168083779 0.22955628712657 40.078 > 101 103 Ca 0.17681660016984 0.67241168083779 0.22955628712657 40.078 > 101 104 Ca 0.67681660016984 0.67241168083779 0.22955628712657 40.078 > 101 105 Ca 0.21124419605589 0.37213335869501 0.95583191540080 40.078 > 105 106 Ca 0.71124419605589 0.37213335869501 0.95583191540080 40.078 > 105 107 Ca 0.21124419605589 0.87213335869501 0.95583191540080 40.078 > 105 108 Ca 0.71124419605589 0.87213335869501 0.95583191540080 40.078 > 105 109 Ca 0.28875580394411 0.12213335869501 0.54416808459920 40.078 > 109 110 Ca 0.78875580394411 0.12213335869501 0.54416808459920 40.078 > 109 111 Ca 0.28875580394411 0.62213335869501 0.54416808459920 40.078 > 109 112 Ca 0.78875580394411 0.62213335869501 0.54416808459920 40.078 > 109 113 Ca 0.28875580394411 0.12786664130499 0.04416808459920 40.078 > 113 114 Ca 0.78875580394411 0.12786664130499 0.04416808459920 40.078 > 113 115 Ca 0.28875580394411 0.62786664130499 0.04416808459920 40.078 > 113 116 Ca 0.78875580394411 0.62786664130499 0.04416808459920 40.078 > 113 117 Ca 0.21124419605589 0.37786664130499 0.45583191540080 40.078 > 117 118 Ca 0.71124419605589 0.37786664130499 0.45583191540080 40.078 > 117 119 Ca 0.21124419605589 0.87786664130499 0.45583191540080 40.078 > 117 120 Ca 0.71124419605589 0.87786664130499 0.45583191540080 40.078 > 117 121 Ca 0.47640556584767 0.03836054648817 0.62097791785401 40.078 > 121 122 Ca 0.97640556584767 0.03836054648817 0.62097791785401 40.078 > 121 123 Ca 0.47640556584767 0.53836054648817 0.62097791785401 40.078 > 121 124 Ca 0.97640556584767 0.53836054648817 0.62097791785401 40.078 > 121 125 Ca 0.02359443415233 0.28836054648817 0.87902208214599 40.078 > 125 126 Ca 0.52359443415233 0.28836054648817 0.87902208214599 40.078 > 125 127 Ca 0.02359443415233 0.78836054648817 0.87902208214599 40.078 > 125 128 Ca 0.52359443415233 0.78836054648817 0.87902208214599 40.078 > 125 129 Ge 0.11486715032189 0.06999688836614 0.94592071234790 72.640 > 129 130 Ge 0.61486715032189 0.06999688836614 0.94592071234790 72.640 > 129 131 Ge 0.11486715032189 0.56999688836614 0.94592071234790 72.640 > 129 132 Ge 0.61486715032189 0.56999688836614 0.94592071234790 72.640 > 129 133 Ge 0.38513284967811 0.31999688836614 0.55407928765210 72.640 > 133 134 Ge 0.88513284967811 0.31999688836614 0.55407928765210 72.640 > 133 135 Ge 0.38513284967811 0.81999688836614 0.55407928765210 72.640 > 133 136 Ge 0.88513284967811 0.81999688836614 0.55407928765210 72.640 > 133 137 Ge 0.38513284967811 0.43000311163386 0.05407928765210 72.640 > 137 138 Ge 0.88513284967811 0.43000311163386 0.05407928765210 72.640 > 137 139 Ge 0.38513284967811 0.93000311163386 0.05407928765210 72.640 > 137 140 Ge 0.88513284967811 0.93000311163386 0.05407928765210 72.640 > 137 141 Ge 0.11486715032189 0.18000311163386 0.44592071234790 72.640 > 141 142 Ge 0.61486715032189 0.18000311163386 0.44592071234790 72.640 > 141 143 Ge 0.11486715032189 0.68000311163386 0.44592071234790 72.640 > 141 144 Ge 0.61486715032189 0.68000311163386 0.44592071234790 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0742081 0.0000000 -0.1042129 0.0000000 6.2636006 0.0000000 -0.1042099 0.0000000 6.4448169 -------------------------- Born effective charges -------------------------- 1 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 2 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 3 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 4 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 5 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 6 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 7 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 8 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 9 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 10 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 11 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 12 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 13 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 14 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 15 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 16 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 17 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 18 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 19 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 20 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 21 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 22 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 23 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 24 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 25 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 26 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 27 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 28 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 29 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 30 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 31 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 32 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 33 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 34 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 35 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 36 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:25:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:25:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.171579780057229 0.000000000000000 0.000000000000000 b 0.000000000000000 5.992775740000001 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): 1 N 0.08761653231998 0.25314681197557 0.51441229354285 14.007 2 N 0.91238346768002 0.75314681197557 0.98558770645715 14.007 3 N 0.91238346768002 0.74685318802443 0.48558770645715 14.007 4 N 0.08761653231998 0.24685318802443 0.01441229354285 14.007 5 N 0.83519257721279 0.08697433733274 0.18835917532489 14.007 6 N 0.16480742278721 0.58697433733274 0.31164082467511 14.007 7 N 0.30256046960633 0.38883740847595 0.88228370686875 14.007 8 N 0.69743953039367 0.88883740847595 0.61771629313125 14.007 9 N 0.69743953039367 0.61116259152405 0.11771629313125 14.007 10 N 0.30256046960633 0.11116259152405 0.38228370686875 14.007 11 N 0.40421745389823 0.48200782351523 0.60967379553935 14.007 12 N 0.59578254610177 0.98200782351523 0.89032620446065 14.007 13 N 0.59578254610177 0.51799217648477 0.39032620446065 14.007 14 N 0.40421745389823 0.01799217648477 0.10967379553935 14.007 15 N 0.16480742278721 0.91302566266726 0.81164082467511 14.007 16 N 0.83519257721279 0.41302566266726 0.68835917532489 14.007 17 Ca 0.84282349137342 0.41484914328625 0.34539821146570 40.078 18 Ca 0.15717650862658 0.91484914328625 0.15460178853430 40.078 19 Ca 0.15717650862658 0.58515085671375 0.65460178853430 40.078 20 Ca 0.84282349137342 0.08515085671375 0.84539821146570 40.078 21 Ca 0.04718886830465 0.92327890702367 0.37902208214599 40.078 22 Ca 0.95281113169535 0.42327890702367 0.12097791785401 40.078 23 Ca 0.35363320033968 0.15517663832442 0.72955628712657 40.078 24 Ca 0.64636679966032 0.65517663832442 0.77044371287343 40.078 25 Ca 0.64636679966032 0.84482336167558 0.27044371287343 40.078 26 Ca 0.35363320033968 0.34482336167558 0.22955628712657 40.078 27 Ca 0.42248839211178 0.74426671739002 0.95583191540080 40.078 28 Ca 0.57751160788822 0.24426671739002 0.54416808459920 40.078 29 Ca 0.57751160788822 0.25573328260998 0.04416808459920 40.078 30 Ca 0.42248839211178 0.75573328260998 0.45583191540080 40.078 31 Ca 0.95281113169535 0.07672109297633 0.62097791785401 40.078 32 Ca 0.04718886830465 0.57672109297633 0.87902208214599 40.078 33 Ge 0.22973430064379 0.13999377673227 0.94592071234790 72.640 34 Ge 0.77026569935621 0.63999377673227 0.55407928765210 72.640 35 Ge 0.77026569935621 0.86000622326773 0.05407928765210 72.640 36 Ge 0.22973430064379 0.36000622326773 0.44592071234790 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.343159560114458 0.000000000000000 0.000000000000000 b 0.000000000000000 11.985551480000002 0.000000000000000 c -4.894319088980852 0.000000000000000 9.902206419988092 Atomic positions (fractional): 1 N 0.04380826615999 0.12657340598779 0.51441229354285 14.007 > 1 2 N 0.54380826615999 0.12657340598779 0.51441229354285 14.007 > 1 3 N 0.04380826615999 0.62657340598779 0.51441229354285 14.007 > 1 4 N 0.54380826615999 0.62657340598779 0.51441229354285 14.007 > 1 5 N 0.45619173384001 0.37657340598779 0.98558770645715 14.007 > 5 6 N 0.95619173384001 0.37657340598779 0.98558770645715 14.007 > 5 7 N 0.45619173384001 0.87657340598779 0.98558770645715 14.007 > 5 8 N 0.95619173384001 0.87657340598779 0.98558770645715 14.007 > 5 9 N 0.45619173384001 0.37342659401221 0.48558770645715 14.007 > 9 10 N 0.95619173384001 0.37342659401221 0.48558770645715 14.007 > 9 11 N 0.45619173384001 0.87342659401221 0.48558770645715 14.007 > 9 12 N 0.95619173384001 0.87342659401221 0.48558770645715 14.007 > 9 13 N 0.04380826615999 0.12342659401221 0.01441229354285 14.007 > 13 14 N 0.54380826615999 0.12342659401221 0.01441229354285 14.007 > 13 15 N 0.04380826615999 0.62342659401221 0.01441229354285 14.007 > 13 16 N 0.54380826615999 0.62342659401221 0.01441229354285 14.007 > 13 17 N 0.41759628860640 0.04348716866637 0.18835917532489 14.007 > 17 18 N 0.91759628860640 0.04348716866637 0.18835917532489 14.007 > 17 19 N 0.41759628860640 0.54348716866637 0.18835917532489 14.007 > 17 20 N 0.91759628860640 0.54348716866637 0.18835917532489 14.007 > 17 21 N 0.08240371139360 0.29348716866637 0.31164082467511 14.007 > 21 22 N 0.58240371139360 0.29348716866637 0.31164082467511 14.007 > 21 23 N 0.08240371139360 0.79348716866637 0.31164082467511 14.007 > 21 24 N 0.58240371139360 0.79348716866637 0.31164082467511 14.007 > 21 25 N 0.15128023480317 0.19441870423797 0.88228370686875 14.007 > 25 26 N 0.65128023480317 0.19441870423797 0.88228370686875 14.007 > 25 27 N 0.15128023480317 0.69441870423797 0.88228370686875 14.007 > 25 28 N 0.65128023480317 0.69441870423797 0.88228370686875 14.007 > 25 29 N 0.34871976519683 0.44441870423797 0.61771629313125 14.007 > 29 30 N 0.84871976519683 0.44441870423797 0.61771629313125 14.007 > 29 31 N 0.34871976519683 0.94441870423797 0.61771629313125 14.007 > 29 32 N 0.84871976519683 0.94441870423797 0.61771629313125 14.007 > 29 33 N 0.34871976519683 0.30558129576203 0.11771629313125 14.007 > 33 34 N 0.84871976519683 0.30558129576203 0.11771629313125 14.007 > 33 35 N 0.34871976519683 0.80558129576203 0.11771629313125 14.007 > 33 36 N 0.84871976519683 0.80558129576203 0.11771629313125 14.007 > 33 37 N 0.15128023480317 0.05558129576203 0.38228370686875 14.007 > 37 38 N 0.65128023480317 0.05558129576203 0.38228370686875 14.007 > 37 39 N 0.15128023480317 0.55558129576203 0.38228370686875 14.007 > 37 40 N 0.65128023480317 0.55558129576203 0.38228370686875 14.007 > 37 41 N 0.20210872694911 0.24100391175761 0.60967379553935 14.007 > 41 42 N 0.70210872694911 0.24100391175761 0.60967379553935 14.007 > 41 43 N 0.20210872694911 0.74100391175761 0.60967379553935 14.007 > 41 44 N 0.70210872694911 0.74100391175761 0.60967379553935 14.007 > 41 45 N 0.29789127305089 0.49100391175761 0.89032620446065 14.007 > 45 46 N 0.79789127305089 0.49100391175761 0.89032620446065 14.007 > 45 47 N 0.29789127305089 0.99100391175761 0.89032620446065 14.007 > 45 48 N 0.79789127305089 0.99100391175761 0.89032620446065 14.007 > 45 49 N 0.29789127305089 0.25899608824239 0.39032620446065 14.007 > 49 50 N 0.79789127305089 0.25899608824239 0.39032620446065 14.007 > 49 51 N 0.29789127305089 0.75899608824239 0.39032620446065 14.007 > 49 52 N 0.79789127305089 0.75899608824239 0.39032620446065 14.007 > 49 53 N 0.20210872694911 0.00899608824239 0.10967379553935 14.007 > 53 54 N 0.70210872694911 0.00899608824239 0.10967379553935 14.007 > 53 55 N 0.20210872694911 0.50899608824239 0.10967379553935 14.007 > 53 56 N 0.70210872694911 0.50899608824239 0.10967379553935 14.007 > 53 57 N 0.08240371139360 0.45651283133363 0.81164082467511 14.007 > 57 58 N 0.58240371139360 0.45651283133363 0.81164082467511 14.007 > 57 59 N 0.08240371139360 0.95651283133363 0.81164082467511 14.007 > 57 60 N 0.58240371139360 0.95651283133363 0.81164082467511 14.007 > 57 61 N 0.41759628860640 0.20651283133363 0.68835917532489 14.007 > 61 62 N 0.91759628860640 0.20651283133363 0.68835917532489 14.007 > 61 63 N 0.41759628860640 0.70651283133363 0.68835917532489 14.007 > 61 64 N 0.91759628860640 0.70651283133363 0.68835917532489 14.007 > 61 65 Ca 0.42141174568671 0.20742457164313 0.34539821146570 40.078 > 65 66 Ca 0.92141174568671 0.20742457164313 0.34539821146570 40.078 > 65 67 Ca 0.42141174568671 0.70742457164313 0.34539821146570 40.078 > 65 68 Ca 0.92141174568671 0.70742457164313 0.34539821146570 40.078 > 65 69 Ca 0.07858825431329 0.45742457164313 0.15460178853430 40.078 > 69 70 Ca 0.57858825431329 0.45742457164313 0.15460178853430 40.078 > 69 71 Ca 0.07858825431329 0.95742457164313 0.15460178853430 40.078 > 69 72 Ca 0.57858825431329 0.95742457164313 0.15460178853430 40.078 > 69 73 Ca 0.07858825431329 0.29257542835687 0.65460178853430 40.078 > 73 74 Ca 0.57858825431329 0.29257542835687 0.65460178853430 40.078 > 73 75 Ca 0.07858825431329 0.79257542835687 0.65460178853430 40.078 > 73 76 Ca 0.57858825431329 0.79257542835687 0.65460178853430 40.078 > 73 77 Ca 0.42141174568671 0.04257542835687 0.84539821146570 40.078 > 77 78 Ca 0.92141174568671 0.04257542835687 0.84539821146570 40.078 > 77 79 Ca 0.42141174568671 0.54257542835687 0.84539821146570 40.078 > 77 80 Ca 0.92141174568671 0.54257542835687 0.84539821146570 40.078 > 77 81 Ca 0.02359443415233 0.46163945351183 0.37902208214599 40.078 > 81 82 Ca 0.52359443415233 0.46163945351183 0.37902208214599 40.078 > 81 83 Ca 0.02359443415233 0.96163945351183 0.37902208214599 40.078 > 81 84 Ca 0.52359443415233 0.96163945351183 0.37902208214599 40.078 > 81 85 Ca 0.47640556584767 0.21163945351183 0.12097791785401 40.078 > 85 86 Ca 0.97640556584767 0.21163945351183 0.12097791785401 40.078 > 85 87 Ca 0.47640556584767 0.71163945351183 0.12097791785401 40.078 > 85 88 Ca 0.97640556584767 0.71163945351183 0.12097791785401 40.078 > 85 89 Ca 0.17681660016984 0.07758831916221 0.72955628712657 40.078 > 89 90 Ca 0.67681660016984 0.07758831916221 0.72955628712657 40.078 > 89 91 Ca 0.17681660016984 0.57758831916221 0.72955628712657 40.078 > 89 92 Ca 0.67681660016984 0.57758831916221 0.72955628712657 40.078 > 89 93 Ca 0.32318339983016 0.32758831916221 0.77044371287343 40.078 > 93 94 Ca 0.82318339983016 0.32758831916221 0.77044371287343 40.078 > 93 95 Ca 0.32318339983016 0.82758831916221 0.77044371287343 40.078 > 93 96 Ca 0.82318339983016 0.82758831916221 0.77044371287343 40.078 > 93 97 Ca 0.32318339983016 0.42241168083779 0.27044371287343 40.078 > 97 98 Ca 0.82318339983016 0.42241168083779 0.27044371287343 40.078 > 97 99 Ca 0.32318339983016 0.92241168083779 0.27044371287343 40.078 > 97 100 Ca 0.82318339983016 0.92241168083779 0.27044371287343 40.078 > 97 101 Ca 0.17681660016984 0.17241168083779 0.22955628712657 40.078 > 101 102 Ca 0.67681660016984 0.17241168083779 0.22955628712657 40.078 > 101 103 Ca 0.17681660016984 0.67241168083779 0.22955628712657 40.078 > 101 104 Ca 0.67681660016984 0.67241168083779 0.22955628712657 40.078 > 101 105 Ca 0.21124419605589 0.37213335869501 0.95583191540080 40.078 > 105 106 Ca 0.71124419605589 0.37213335869501 0.95583191540080 40.078 > 105 107 Ca 0.21124419605589 0.87213335869501 0.95583191540080 40.078 > 105 108 Ca 0.71124419605589 0.87213335869501 0.95583191540080 40.078 > 105 109 Ca 0.28875580394411 0.12213335869501 0.54416808459920 40.078 > 109 110 Ca 0.78875580394411 0.12213335869501 0.54416808459920 40.078 > 109 111 Ca 0.28875580394411 0.62213335869501 0.54416808459920 40.078 > 109 112 Ca 0.78875580394411 0.62213335869501 0.54416808459920 40.078 > 109 113 Ca 0.28875580394411 0.12786664130499 0.04416808459920 40.078 > 113 114 Ca 0.78875580394411 0.12786664130499 0.04416808459920 40.078 > 113 115 Ca 0.28875580394411 0.62786664130499 0.04416808459920 40.078 > 113 116 Ca 0.78875580394411 0.62786664130499 0.04416808459920 40.078 > 113 117 Ca 0.21124419605589 0.37786664130499 0.45583191540080 40.078 > 117 118 Ca 0.71124419605589 0.37786664130499 0.45583191540080 40.078 > 117 119 Ca 0.21124419605589 0.87786664130499 0.45583191540080 40.078 > 117 120 Ca 0.71124419605589 0.87786664130499 0.45583191540080 40.078 > 117 121 Ca 0.47640556584767 0.03836054648817 0.62097791785401 40.078 > 121 122 Ca 0.97640556584767 0.03836054648817 0.62097791785401 40.078 > 121 123 Ca 0.47640556584767 0.53836054648817 0.62097791785401 40.078 > 121 124 Ca 0.97640556584767 0.53836054648817 0.62097791785401 40.078 > 121 125 Ca 0.02359443415233 0.28836054648817 0.87902208214599 40.078 > 125 126 Ca 0.52359443415233 0.28836054648817 0.87902208214599 40.078 > 125 127 Ca 0.02359443415233 0.78836054648817 0.87902208214599 40.078 > 125 128 Ca 0.52359443415233 0.78836054648817 0.87902208214599 40.078 > 125 129 Ge 0.11486715032189 0.06999688836614 0.94592071234790 72.640 > 129 130 Ge 0.61486715032189 0.06999688836614 0.94592071234790 72.640 > 129 131 Ge 0.11486715032189 0.56999688836614 0.94592071234790 72.640 > 129 132 Ge 0.61486715032189 0.56999688836614 0.94592071234790 72.640 > 129 133 Ge 0.38513284967811 0.31999688836614 0.55407928765210 72.640 > 133 134 Ge 0.88513284967811 0.31999688836614 0.55407928765210 72.640 > 133 135 Ge 0.38513284967811 0.81999688836614 0.55407928765210 72.640 > 133 136 Ge 0.88513284967811 0.81999688836614 0.55407928765210 72.640 > 133 137 Ge 0.38513284967811 0.43000311163386 0.05407928765210 72.640 > 137 138 Ge 0.88513284967811 0.43000311163386 0.05407928765210 72.640 > 137 139 Ge 0.38513284967811 0.93000311163386 0.05407928765210 72.640 > 137 140 Ge 0.88513284967811 0.93000311163386 0.05407928765210 72.640 > 137 141 Ge 0.11486715032189 0.18000311163386 0.44592071234790 72.640 > 141 142 Ge 0.61486715032189 0.18000311163386 0.44592071234790 72.640 > 141 143 Ge 0.11486715032189 0.68000311163386 0.44592071234790 72.640 > 141 144 Ge 0.61486715032189 0.68000311163386 0.44592071234790 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0742081 0.0000000 -0.1042129 0.0000000 6.2636006 0.0000000 -0.1042099 0.0000000 6.4448169 -------------------------- Born effective charges -------------------------- 1 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 2 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 3 N -3.1664249 -0.3878463 0.4636441 -0.2951954 -2.7660970 -0.0009630 0.2514588 0.0347411 -2.8226667 4 N -3.1664249 0.3878463 0.4636441 0.2951954 -2.7660970 0.0009630 0.2514588 -0.0347411 -2.8226667 5 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 6 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 7 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 8 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 9 N -2.7346292 -0.2387691 -0.0163977 -0.1651829 -3.3242469 0.3185882 0.2081874 0.2848532 -2.7236768 10 N -2.7346292 0.2387691 -0.0163977 0.1651829 -3.3242469 -0.3185882 0.2081874 -0.2848532 -2.7236768 11 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 12 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 13 N -2.9157418 -0.2801043 -0.2288078 -0.3927724 -2.5771585 -0.2811219 -0.3747046 -0.2471341 -3.1717125 14 N -2.9157418 0.2801043 -0.2288078 0.3927724 -2.5771585 0.2811219 -0.3747046 0.2471341 -3.1717125 15 N -2.4409822 0.0223120 -0.1401164 0.0946869 -3.0140163 -0.4528660 -0.1461549 -0.5255722 -3.1374816 16 N -2.4409822 -0.0223120 -0.1401164 -0.0946869 -3.0140163 0.4528660 -0.1461549 0.5255722 -3.1374816 17 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 18 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 19 Ca 2.2049344 -0.5130020 -0.0414716 -0.5552874 2.4425271 0.1975249 0.0732000 0.2930136 2.6397026 20 Ca 2.2049344 0.5130020 -0.0414716 0.5552874 2.4425271 -0.1975249 0.0732000 -0.2930136 2.6397026 21 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 22 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 23 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 24 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 25 Ca 2.1423702 -0.2738161 -0.1691302 -0.1721373 1.9031613 -0.4663730 -0.2843803 -0.3617949 2.6628766 26 Ca 2.1423702 0.2738161 -0.1691302 0.1721373 1.9031613 0.4663730 -0.2843803 0.3617949 2.6628766 27 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 28 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 29 Ca 2.3113435 0.0142992 0.5173155 -0.0067192 2.4547486 0.1829320 0.2878645 0.1252702 1.6862639 30 Ca 2.3113435 -0.0142992 0.5173155 0.0067192 2.4547486 -0.1829320 0.2878645 -0.1252702 1.6862639 31 Ca 2.0797087 0.2964826 -0.1321802 0.2617818 2.2955579 0.1294401 0.0034620 -0.0694350 1.9611673 32 Ca 2.0797087 -0.2964826 -0.1321802 -0.2617818 2.2955579 -0.1294401 0.0034620 0.0694350 1.9611673 33 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 34 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 35 Ge 2.5194211 -0.0794603 -0.2528556 -0.2658930 2.5855238 -0.1231725 -0.0189328 -0.0150077 2.9055271 36 Ge 2.5194211 0.0794603 -0.2528556 0.2658930 2.5855238 0.1231725 -0.0189328 0.0150077 2.9055271 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.045 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.458 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.530 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.535 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 14.067 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 15.982 ( 0.000 0.000 0.000) 0.000 16.155 ( 0.000 0.000 0.000) 0.000 16.282 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 16.887 ( 0.000 0.000 0.000) 0.000 17.137 ( 0.000 0.000 0.000) 0.000 17.583 ( 0.000 0.000 0.000) 0.000 18.362 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 18.703 ( 0.000 0.000 0.000) 0.000 18.953 ( 0.000 0.000 0.000) 0.000 19.708 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 19.979 ( 0.000 0.000 0.000) 0.000 20.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 36.556 0.000 11.619) 38.358 0.869 ( 37.291 0.000 20.668) 42.635 1.428 ( 58.015 0.000 37.936) 69.318 2.649 ( -2.638 0.000 -15.022) 15.252 2.905 ( -4.862 0.000 2.521) 5.476 3.308 ( -6.557 0.000 7.363) 9.859 3.388 ( 5.287 0.000 -9.476) 10.851 3.498 ( 3.300 0.000 -3.891) 5.101 3.531 ( -15.573 0.000 2.483) 15.769 3.843 ( 1.373 0.000 0.751) 1.565 3.864 ( -8.900 0.000 -6.334) 10.924 3.966 ( -2.747 0.000 -3.514) 4.460 4.066 ( -13.834 0.000 -3.117) 14.181 4.132 ( -4.083 0.000 -5.535) 6.878 4.248 ( -3.993 0.000 16.987) 17.451 4.445 ( 7.298 0.000 -10.891) 13.110 4.482 ( 12.628 0.000 -1.668) 12.738 4.668 ( -9.118 0.000 6.925) 11.450 4.914 ( -2.646 0.000 -5.006) 5.662 5.043 ( -0.425 0.000 -7.506) 7.518 5.059 ( 1.066 0.000 -5.684) 5.783 5.171 ( 2.800 0.000 -1.284) 3.080 5.232 ( 3.151 0.000 -0.802) 3.251 5.362 ( 3.568 0.000 -6.033) 7.009 5.374 ( 6.058 0.000 1.570) 6.258 5.541 ( 7.115 0.000 1.061) 7.194 5.611 ( 1.409 0.000 11.190) 11.278 5.829 ( 11.670 0.000 -2.065) 11.851 5.900 ( -10.502 0.000 -5.427) 11.821 5.922 ( -6.444 0.000 1.135) 6.543 6.076 ( -2.195 0.000 2.853) 3.600 6.085 ( 7.098 0.000 5.438) 8.942 6.332 ( 3.649 0.000 8.286) 9.054 6.513 ( 1.978 0.000 -3.814) 4.296 6.520 ( 0.417 0.000 -16.453) 16.458 6.599 ( -0.613 0.000 -2.862) 2.927 6.661 ( -3.384 0.000 1.534) 3.715 6.823 ( -10.598 0.000 0.582) 10.613 6.920 ( -3.189 0.000 -0.137) 3.192 7.013 ( -3.222 0.000 10.691) 11.166 7.034 ( -1.580 0.000 -0.744) 1.747 7.127 ( -1.168 0.000 4.419) 4.571 7.212 ( 5.952 0.000 1.313) 6.095 7.216 ( -7.707 0.000 -5.962) 9.744 7.345 ( -2.861 0.000 -3.558) 4.566 7.607 ( 3.422 0.000 -2.711) 4.366 7.657 ( -0.843 0.000 -3.024) 3.139 7.708 ( -3.957 0.000 0.780) 4.033 7.788 ( -3.079 0.000 1.238) 3.319 7.857 ( -5.912 0.000 -3.427) 6.833 8.031 ( 3.314 0.000 -5.568) 6.479 8.106 ( 5.437 0.000 0.623) 5.473 8.189 ( 8.716 0.000 17.029) 19.130 8.249 ( 7.497 0.000 5.551) 9.328 8.285 ( -1.159 0.000 -5.210) 5.337 8.587 ( 0.185 0.000 -1.136) 1.151 8.649 ( 1.910 0.000 -1.297) 2.309 8.720 ( -7.882 0.000 -2.911) 8.402 8.955 ( -6.848 0.000 -2.635) 7.337 8.994 ( -0.382 0.000 1.312) 1.367 9.054 ( 2.993 0.000 2.659) 4.004 9.163 ( 6.729 0.000 -18.082) 19.293 9.289 ( -3.753 0.000 0.986) 3.881 9.464 ( -4.827 0.000 2.566) 5.466 9.563 ( 8.639 0.000 -3.251) 9.230 9.569 ( 2.379 0.000 1.184) 2.658 9.852 ( 3.518 0.000 -0.663) 3.580 9.956 ( -2.514 0.000 2.740) 3.718 10.080 ( 0.328 0.000 -4.081) 4.094 10.219 ( 4.704 0.000 3.879) 6.097 10.294 ( 1.565 0.000 -0.259) 1.586 10.467 ( -4.660 0.000 -3.141) 5.620 10.475 ( -0.637 0.000 0.146) 0.654 10.970 ( 1.290 0.000 -0.425) 1.358 11.068 ( -8.307 0.000 0.543) 8.325 11.531 ( 6.333 0.000 -1.304) 6.466 11.577 ( -1.635 0.000 -1.417) 2.164 11.856 ( -1.271 0.000 0.551) 1.385 11.955 ( -8.821 0.000 9.345) 12.851 12.219 ( 3.052 0.000 3.932) 4.978 12.279 ( 13.594 0.000 -34.751) 37.315 12.628 ( 2.553 0.000 -0.701) 2.647 12.784 ( 23.440 0.000 -14.472) 27.548 13.125 ( -2.258 0.000 -9.739) 9.998 13.447 ( 1.397 0.000 0.323) 1.434 13.494 ( -1.715 0.000 0.957) 1.964 13.734 ( 13.981 0.000 11.338) 18.001 13.835 ( -6.725 0.000 1.099) 6.814 14.061 ( -9.064 0.000 20.301) 22.232 14.388 ( -14.142 0.000 25.550) 29.203 14.447 ( -7.463 0.000 0.248) 7.467 14.761 ( 2.377 0.000 6.546) 6.964 15.941 ( -3.589 0.000 -1.236) 3.796 16.278 ( -0.675 0.000 0.821) 1.063 16.293 ( -3.880 0.000 -3.590) 5.286 16.662 ( 1.072 0.000 -1.292) 1.679 16.912 ( 3.819 0.000 -2.350) 4.484 17.157 ( 0.867 0.000 2.824) 2.954 17.401 ( -36.875 0.000 70.597) 79.647 17.543 ( -0.671 0.000 -7.175) 7.206 18.538 ( 2.114 0.000 5.309) 5.715 18.667 ( -2.841 0.000 -0.402) 2.870 18.998 ( 2.126 0.000 3.526) 4.118 19.053 ( 14.151 0.000 -37.795) 40.357 19.727 ( 2.152 0.000 -0.764) 2.283 19.810 ( 0.791 0.000 -0.042) 0.792 20.140 ( 10.113 0.000 -19.201) 21.701 20.196 ( 1.263 0.000 0.194) 1.277 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 35.608 0.000 8.242) 36.549 1.719 ( 35.696 0.000 20.475) 41.151 2.451 ( -0.142 0.000 -3.086) 3.090 2.775 ( 40.490 0.000 28.309) 49.404 2.837 ( -4.803 0.000 3.721) 6.076 3.072 ( -16.197 0.000 -9.355) 18.705 3.227 ( -4.582 0.000 -22.986) 23.438 3.258 ( -12.015 0.000 9.167) 15.113 3.300 ( -25.444 0.000 -10.845) 27.659 3.738 ( 7.533 0.000 6.668) 10.060 3.752 ( -4.810 0.000 -10.150) 11.232 3.887 ( 3.544 0.000 -1.924) 4.032 4.068 ( 8.282 0.000 1.122) 8.358 4.253 ( -4.582 0.000 8.472) 9.632 4.259 ( 6.746 0.000 7.149) 9.829 4.510 ( 0.249 0.000 -0.002) 0.249 4.646 ( 1.296 0.000 4.920) 5.088 4.661 ( 6.737 0.000 -7.670) 10.209 4.861 ( 1.074 0.000 -1.513) 1.855 4.984 ( 0.879 0.000 -4.401) 4.488 5.004 ( -7.709 0.000 2.925) 8.245 5.151 ( -7.702 0.000 -5.737) 9.604 5.220 ( -13.849 0.000 -5.094) 14.756 5.221 ( 0.391 0.000 -3.835) 3.855 5.434 ( 2.258 0.000 -1.562) 2.746 5.514 ( -9.897 0.000 -11.599) 15.248 5.540 ( -0.946 0.000 1.332) 1.633 5.816 ( 2.346 0.000 4.484) 5.061 5.924 ( -3.307 0.000 2.293) 4.024 6.061 ( 8.640 0.000 10.002) 13.217 6.138 ( 9.688 0.000 7.056) 11.985 6.189 ( -0.062 0.000 -1.934) 1.935 6.361 ( -5.716 0.000 2.420) 6.207 6.387 ( -2.986 0.000 -13.254) 13.586 6.437 ( 6.050 0.000 -6.754) 9.068 6.639 ( -9.246 0.000 1.479) 9.364 6.676 ( 1.964 0.000 2.810) 3.428 6.705 ( 5.918 0.000 8.076) 10.012 6.844 ( -2.541 0.000 -1.519) 2.960 7.008 ( -0.121 0.000 -4.353) 4.355 7.024 ( -8.605 0.000 -0.196) 8.608 7.026 ( -1.919 0.000 5.352) 5.686 7.275 ( 7.325 0.000 6.296) 9.659 7.321 ( 3.193 0.000 -3.947) 5.076 7.338 ( 1.852 0.000 5.673) 5.968 7.582 ( -7.726 0.000 -1.323) 7.838 7.598 ( 2.641 0.000 -2.074) 3.358 7.689 ( -7.694 0.000 -3.822) 8.591 7.756 ( 0.784 0.000 -1.277) 1.499 7.784 ( 10.197 0.000 4.629) 11.199 8.025 ( 2.177 0.000 -5.857) 6.249 8.117 ( -2.614 0.000 -9.676) 10.023 8.268 ( -3.403 0.000 4.410) 5.570 8.365 ( 1.138 0.000 5.883) 5.992 8.430 ( -5.642 0.000 -9.204) 10.796 8.443 ( 5.314 0.000 5.194) 7.431 8.600 ( 2.195 0.000 -0.399) 2.231 8.734 ( -11.149 0.000 -9.057) 14.364 8.778 ( 3.631 0.000 3.391) 4.968 8.961 ( -2.233 0.000 -1.288) 2.577 9.134 ( 1.883 0.000 -1.908) 2.681 9.145 ( 3.579 0.000 2.179) 4.190 9.267 ( -0.419 0.000 0.727) 0.839 9.442 ( -0.217 0.000 0.811) 0.839 9.641 ( 3.018 0.000 1.623) 3.427 9.674 ( 6.473 0.000 -2.768) 7.040 9.865 ( -0.584 0.000 -1.201) 1.336 9.905 ( -3.737 0.000 -0.522) 3.773 10.054 ( -1.244 0.000 2.148) 2.482 10.308 ( -0.086 0.000 -0.669) 0.675 10.322 ( -3.536 0.000 -3.182) 4.757 10.426 ( 9.639 0.000 3.092) 10.123 10.478 ( 0.628 0.000 0.896) 1.095 10.894 ( -10.449 0.000 -1.072) 10.504 11.036 ( 6.489 0.000 0.169) 6.491 11.466 ( -10.206 0.000 0.804) 10.238 11.629 ( 5.416 0.000 -0.829) 5.479 11.808 ( -3.763 0.000 -0.861) 3.860 11.914 ( -1.833 0.000 3.703) 4.132 12.193 ( 3.159 0.000 -8.274) 8.856 12.399 ( 8.485 0.000 -1.643) 8.642 12.680 ( 3.471 0.000 -0.477) 3.503 13.033 ( -0.970 0.000 -5.368) 5.455 13.046 ( 13.587 0.000 -4.692) 14.375 13.465 ( -2.417 0.000 1.542) 2.867 13.487 ( 3.012 0.000 0.141) 3.015 13.710 ( -2.674 0.000 -7.166) 7.649 14.081 ( -5.670 0.000 13.410) 14.560 14.120 ( 15.107 0.000 6.891) 16.604 14.338 ( -2.884 0.000 3.250) 4.345 14.346 ( -6.108 0.000 6.919) 9.229 14.799 ( -6.057 0.000 5.768) 8.364 15.853 ( -3.537 0.000 -1.622) 3.891 16.172 ( -4.177 0.000 -4.562) 6.186 16.275 ( -0.445 0.000 0.796) 0.912 16.667 ( 0.378 0.000 -0.518) 0.641 16.971 ( 4.730 0.000 -3.063) 5.635 17.220 ( 1.599 0.000 6.095) 6.301 17.358 ( -14.549 0.000 24.674) 28.644 17.442 ( -1.391 0.000 -10.370) 10.463 18.619 ( -1.968 0.000 0.099) 1.970 18.654 ( 3.131 0.000 8.936) 9.468 18.944 ( 1.668 0.000 -17.942) 18.019 19.061 ( 1.238 0.000 2.900) 3.153 19.760 ( 1.842 0.000 -0.596) 1.936 19.825 ( 0.718 0.000 -0.050) 0.720 20.152 ( 3.925 0.000 -6.660) 7.730 20.224 ( 1.346 0.000 0.258) 1.370 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 -0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.537 ( -0.000 0.000 -0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 -0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 -0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 -0.000) 0.000 4.194 ( -0.000 0.000 -0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.558 ( -0.000 0.000 -0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.815 ( -0.000 0.000 0.000) 0.000 4.908 ( -0.000 0.000 -0.000) 0.000 4.969 ( 0.000 0.000 -0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 -0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.768 ( -0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 -0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.332 ( -0.000 0.000 -0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.673 ( -0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 -0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 -0.000) 0.000 7.368 ( 0.000 0.000 -0.000) 0.000 7.390 ( -0.000 0.000 0.000) 0.000 7.453 ( -0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 -0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.875 ( -0.000 0.000 -0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 8.901 ( -0.000 0.000 -0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.638 ( -0.000 0.000 -0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 -0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.722 ( -0.000 0.000 -0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 -0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.448 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 14.090 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 14.316 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 14.658 ( -0.000 0.000 -0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 17.005 ( 0.000 0.000 -0.000) 0.000 17.320 ( -0.000 0.000 -0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 18.601 ( 0.000 0.000 0.000) 0.000 18.790 ( 0.000 0.000 0.000) 0.000 18.811 ( 0.000 0.000 -0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 19.775 ( 0.000 0.000 0.000) 0.000 19.832 ( 0.000 0.000 0.000) 0.000 20.159 ( 0.000 0.000 0.000) 0.000 20.239 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 30.787 0.000) 30.787 0.891 ( 0.000 41.862 0.000) 41.862 1.474 ( 0.000 68.015 0.000) 68.015 2.915 ( 0.000 -3.351 0.000) 3.351 2.954 ( 0.000 14.545 0.000) 14.545 3.271 ( 0.000 -1.254 0.000) 1.254 3.413 ( 0.000 6.392 0.000) 6.392 3.551 ( 0.000 2.812 0.000) 2.812 3.650 ( 0.000 -4.590 0.000) 4.590 3.716 ( 0.000 4.786 0.000) 4.786 4.053 ( 0.000 -3.399 0.000) 3.399 4.094 ( 0.000 -3.243 0.000) 3.243 4.119 ( 0.000 -1.518 0.000) 1.518 4.158 ( 0.000 6.786 0.000) 6.786 4.322 ( 0.000 6.201 0.000) 6.201 4.412 ( 0.000 -0.565 0.000) 0.565 4.550 ( 0.000 4.105 0.000) 4.105 4.801 ( 0.000 0.566 0.000) 0.566 4.860 ( 0.000 -1.042 0.000) 1.042 4.938 ( 0.000 -2.768 0.000) 2.768 5.078 ( 0.000 -1.995 0.000) 1.995 5.129 ( 0.000 -4.829 0.000) 4.829 5.241 ( 0.000 -3.162 0.000) 3.162 5.288 ( 0.000 -0.712 0.000) 0.712 5.312 ( 0.000 -3.868 0.000) 3.868 5.412 ( 0.000 -0.709 0.000) 0.709 5.481 ( 0.000 6.231 0.000) 6.231 5.822 ( 0.000 1.208 0.000) 1.208 5.921 ( 0.000 -3.884 0.000) 3.884 5.995 ( 0.000 1.079 0.000) 1.079 6.029 ( 0.000 2.588 0.000) 2.588 6.115 ( 0.000 0.548 0.000) 0.548 6.317 ( 0.000 -1.327 0.000) 1.327 6.355 ( 0.000 -5.323 0.000) 5.323 6.512 ( 0.000 -1.128 0.000) 1.128 6.615 ( 0.000 -4.361 0.000) 4.361 6.764 ( 0.000 -5.235 0.000) 5.235 6.821 ( 0.000 1.915 0.000) 1.915 6.930 ( 0.000 0.170 0.000) 0.170 6.989 ( 0.000 -5.939 0.000) 5.939 7.051 ( 0.000 0.263 0.000) 0.263 7.112 ( 0.000 -6.598 0.000) 6.598 7.209 ( 0.000 3.276 0.000) 3.276 7.352 ( 0.000 0.293 0.000) 0.293 7.387 ( 0.000 2.779 0.000) 2.779 7.626 ( 0.000 -2.804 0.000) 2.804 7.649 ( 0.000 -3.972 0.000) 3.972 7.718 ( 0.000 6.239 0.000) 6.239 7.823 ( 0.000 -4.333 0.000) 4.333 7.897 ( 0.000 4.596 0.000) 4.596 7.913 ( 0.000 -2.764 0.000) 2.764 8.039 ( 0.000 -0.650 0.000) 0.650 8.118 ( 0.000 -3.387 0.000) 3.387 8.149 ( 0.000 0.395 0.000) 0.395 8.391 ( 0.000 -2.033 0.000) 2.033 8.393 ( 0.000 0.088 0.000) 0.088 8.569 ( 0.000 -0.478 0.000) 0.478 8.863 ( 0.000 -7.475 0.000) 7.475 8.985 ( 0.000 5.461 0.000) 5.461 9.068 ( 0.000 4.138 0.000) 4.138 9.083 ( 0.000 0.115 0.000) 0.115 9.227 ( 0.000 5.547 0.000) 5.547 9.373 ( 0.000 -2.607 0.000) 2.607 9.409 ( 0.000 -3.346 0.000) 3.346 9.506 ( 0.000 -3.788 0.000) 3.788 9.587 ( 0.000 6.136 0.000) 6.136 9.714 ( 0.000 -6.804 0.000) 6.804 9.954 ( 0.000 -1.918 0.000) 1.918 10.164 ( 0.000 -0.981 0.000) 0.981 10.189 ( 0.000 -1.026 0.000) 1.026 10.234 ( 0.000 3.050 0.000) 3.050 10.287 ( 0.000 0.947 0.000) 0.947 10.497 ( 0.000 -2.897 0.000) 2.897 10.958 ( 0.000 -0.239 0.000) 0.239 11.100 ( 0.000 -5.471 0.000) 5.471 11.295 ( 0.000 7.080 0.000) 7.080 11.364 ( 0.000 -7.216 0.000) 7.216 11.631 ( 0.000 3.334 0.000) 3.334 11.973 ( 0.000 6.074 0.000) 6.074 12.001 ( 0.000 -1.715 0.000) 1.715 12.087 ( 0.000 -2.031 0.000) 2.031 12.504 ( 0.000 -1.978 0.000) 1.978 13.018 ( 0.000 1.802 0.000) 1.802 13.083 ( 0.000 -6.477 0.000) 6.477 13.397 ( 0.000 -1.458 0.000) 1.458 13.482 ( 0.000 -1.436 0.000) 1.436 13.636 ( 0.000 8.686 0.000) 8.686 14.043 ( 0.000 -0.905 0.000) 0.905 14.116 ( 0.000 3.440 0.000) 3.440 14.400 ( 0.000 -4.612 0.000) 4.612 14.661 ( 0.000 -0.489 0.000) 0.489 15.221 ( 0.000 -6.290 0.000) 6.290 16.010 ( 0.000 2.823 0.000) 2.823 16.147 ( 0.000 -0.788 0.000) 0.788 16.249 ( 0.000 -3.669 0.000) 3.669 16.392 ( 0.000 -1.825 0.000) 1.825 16.784 ( 0.000 10.698 0.000) 10.698 16.992 ( 0.000 7.793 0.000) 7.793 17.583 ( 0.000 0.119 0.000) 0.119 18.262 ( 0.000 -1.905 0.000) 1.905 18.371 ( 0.000 0.773 0.000) 0.773 18.494 ( 0.000 0.056 0.000) 0.056 18.908 ( 0.000 -4.073 0.000) 4.073 19.025 ( 0.000 -5.536 0.000) 5.536 19.737 ( 0.000 2.538 0.000) 2.538 19.842 ( 0.000 3.702 0.000) 3.702 19.988 ( 0.000 0.691 0.000) 0.691 20.573 ( 0.000 -2.341 0.000) 2.341 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 27.727 19.023 7.452) 34.441 1.209 ( 22.456 28.441 17.149) 40.091 2.036 ( 39.474 46.639 23.529) 65.475 2.746 ( -8.168 4.906 -6.625) 11.606 2.974 ( -1.237 8.437 -2.561) 8.904 3.289 ( 3.268 -2.582 -0.552) 4.201 3.481 ( -1.877 7.439 -6.660) 10.159 3.498 ( -4.357 1.620 1.598) 4.915 3.573 ( -6.402 3.267 0.216) 7.191 3.745 ( -1.339 -2.147 0.417) 2.565 3.928 ( -5.294 -0.538 -5.818) 7.884 3.963 ( -2.383 1.270 2.052) 3.391 4.102 ( -2.760 -0.420 -1.398) 3.123 4.124 ( -13.383 4.730 -9.095) 16.858 4.261 ( -5.855 2.207 11.340) 12.951 4.412 ( 9.800 -2.072 -1.742) 10.167 4.572 ( 9.294 4.670 -6.802) 12.429 4.696 ( -7.002 1.873 3.905) 8.233 4.911 ( 1.116 -0.439 -1.158) 1.667 4.981 ( -2.580 -4.309 -8.751) 10.090 5.073 ( -3.256 -2.789 5.242) 6.772 5.102 ( 4.836 0.159 -3.570) 6.013 5.248 ( 2.943 1.544 -1.214) 3.538 5.341 ( 5.513 0.133 -1.965) 5.854 5.429 ( 8.791 -0.613 -1.157) 8.888 5.512 ( -0.416 -1.409 2.978) 3.321 5.612 ( 5.887 0.135 7.046) 9.183 5.712 ( 4.277 -5.779 2.441) 7.593 5.853 ( -6.442 -0.216 -4.401) 7.805 5.996 ( -4.446 0.054 3.276) 5.523 6.094 ( -0.282 -1.356 0.971) 1.691 6.164 ( -0.632 5.078 3.203) 6.037 6.272 ( 4.273 -3.164 2.432) 5.847 6.395 ( 1.506 -6.900 -2.649) 7.543 6.493 ( -2.971 -6.715 -6.921) 10.091 6.601 ( 2.860 1.813 -6.091) 6.969 6.693 ( -4.721 -0.004 -0.754) 4.781 6.753 ( -5.517 -2.501 -1.337) 6.203 6.933 ( -5.927 -1.876 1.728) 6.453 6.989 ( 2.683 -1.594 7.557) 8.176 7.035 ( -3.322 0.968 0.741) 3.539 7.106 ( -6.850 -3.096 -1.392) 7.645 7.167 ( 2.940 -4.584 3.272) 6.354 7.198 ( -5.179 3.814 -2.152) 6.782 7.377 ( -1.204 2.023 -3.474) 4.196 7.610 ( 1.820 -1.733 -2.731) 3.711 7.614 ( -1.699 -3.113 1.023) 3.691 7.707 ( -2.734 -0.433 -1.712) 3.255 7.829 ( -4.136 3.315 -1.351) 5.470 7.880 ( 5.100 -3.153 -2.430) 6.470 8.006 ( -2.263 3.520 -0.603) 4.228 8.104 ( 2.500 -8.097 -1.814) 8.666 8.131 ( 3.287 -0.273 7.941) 8.599 8.232 ( 5.090 -4.325 2.846) 7.260 8.295 ( -0.030 0.631 -4.774) 4.816 8.512 ( 5.553 1.047 3.484) 6.638 8.631 ( 4.775 0.585 -1.128) 4.942 8.792 ( -6.094 -0.940 -2.353) 6.600 8.960 ( -2.541 -0.190 -0.355) 2.573 9.008 ( -4.830 -0.245 -7.606) 9.013 9.100 ( 1.528 2.932 2.579) 4.193 9.144 ( -0.569 6.352 0.292) 6.384 9.289 ( -3.980 -2.109 -0.706) 4.559 9.401 ( -4.306 -4.977 -0.286) 6.588 9.550 ( 6.170 0.727 -0.933) 6.282 9.664 ( 4.957 3.940 1.535) 6.515 9.775 ( 5.204 -6.101 0.679) 8.048 9.979 ( 1.944 -3.037 -5.596) 6.657 10.079 ( -2.331 2.909 0.271) 3.738 10.232 ( 4.222 1.199 5.026) 6.672 10.301 ( 2.000 0.764 -0.666) 2.242 10.432 ( -4.213 -2.786 -3.345) 6.058 10.453 ( 5.314 -1.902 2.377) 6.125 10.926 ( -2.049 -1.984 -2.551) 3.827 11.183 ( -7.644 8.271 2.803) 11.606 11.283 ( 4.574 -17.715 5.709) 19.166 11.507 ( 11.691 -9.279 -5.018) 15.746 11.776 ( 13.421 -4.676 1.971) 14.349 11.953 ( -3.285 4.186 3.582) 6.414 11.978 ( -4.028 -0.088 4.672) 6.169 12.175 ( 8.815 -5.185 -2.083) 10.437 12.445 ( -2.612 -1.884 -1.682) 3.634 13.009 ( -1.417 -3.235 -5.850) 6.834 13.075 ( 7.471 1.534 -7.831) 10.931 13.404 ( -1.580 -3.293 1.621) 3.996 13.497 ( 2.446 0.474 3.722) 4.479 13.811 ( 9.483 4.026 5.645) 11.747 13.901 ( -4.678 5.135 -3.301) 7.691 14.108 ( -4.050 -1.845 3.207) 5.485 14.450 ( 0.789 0.923 3.873) 4.059 14.670 ( -6.189 2.791 2.914) 7.389 14.782 ( -18.329 7.714 -2.002) 19.986 15.970 ( -3.680 2.716 -0.685) 4.625 16.143 ( -0.510 -6.107 -0.188) 6.132 16.354 ( -1.361 1.679 -1.882) 2.866 16.655 ( 12.904 -16.223 17.613) 27.201 16.791 ( -0.412 9.752 3.174) 10.264 17.005 ( 3.005 7.194 -2.847) 8.300 17.537 ( -1.263 -0.281 -7.204) 7.319 17.851 ( -31.179 13.558 22.149) 40.577 18.534 ( 2.036 -0.409 4.470) 4.929 18.577 ( 6.514 -5.277 -4.255) 9.401 18.898 ( 5.288 -4.760 -9.118) 11.565 19.042 ( 1.431 -4.495 -4.144) 6.279 19.731 ( 0.040 0.973 -0.000) 0.973 19.869 ( 1.129 4.348 -0.445) 4.515 20.025 ( 5.429 -1.553 -2.139) 6.039 20.428 ( -4.415 6.242 -8.829) 11.679 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 33.092 9.370 5.410) 34.816 1.862 ( 28.851 13.853 19.444) 37.448 2.514 ( -8.007 3.998 -0.303) 8.955 2.876 ( -2.568 5.929 0.926) 6.528 3.049 ( 6.868 16.918 11.624) 21.644 3.143 ( -0.781 6.770 2.971) 7.434 3.226 ( -7.365 6.147 -13.224) 16.337 3.294 ( -12.638 1.862 -12.900) 18.154 3.496 ( 4.276 13.127 6.782) 15.382 3.775 ( -2.114 2.779 -5.404) 6.434 3.811 ( 4.525 9.630 4.164) 11.426 3.922 ( 0.327 4.588 -2.936) 5.456 4.062 ( 6.513 -1.527 0.909) 6.751 4.157 ( 2.864 -4.226 5.317) 7.371 4.274 ( 0.302 0.439 5.867) 5.892 4.540 ( 6.064 -4.815 -2.747) 8.216 4.649 ( -0.137 2.219 1.364) 2.609 4.706 ( 3.203 5.993 -0.896) 6.854 4.855 ( -1.939 -1.962 -5.776) 6.401 4.944 ( -1.931 0.769 3.936) 4.451 5.041 ( -2.832 -2.477 -3.706) 5.281 5.078 ( 0.004 -0.894 4.141) 4.236 5.235 ( -8.134 4.866 -4.043) 10.305 5.313 ( -6.375 3.414 -10.879) 13.064 5.440 ( -0.394 0.308 -1.079) 1.189 5.513 ( 0.093 -1.673 1.145) 2.029 5.595 ( -9.625 4.706 -8.480) 13.664 5.776 ( 3.173 -3.006 5.904) 7.346 5.859 ( -3.030 -4.402 3.859) 6.592 6.054 ( 9.195 -4.224 1.974) 10.309 6.068 ( -1.741 -2.140 11.762) 12.081 6.178 ( 1.024 -3.964 -8.200) 9.165 6.316 ( -2.417 -3.500 -6.535) 7.797 6.320 ( 1.186 -4.809 1.085) 5.071 6.438 ( 2.101 -0.336 -1.492) 2.599 6.569 ( -4.364 -5.025 -1.880) 6.916 6.658 ( 1.935 -1.340 0.207) 2.363 6.725 ( 3.275 1.032 5.846) 6.780 6.846 ( -5.792 -0.985 1.769) 6.135 6.953 ( -0.889 -1.954 -9.222) 9.469 6.990 ( -7.118 -1.232 7.181) 10.186 7.113 ( -2.295 3.742 3.775) 5.789 7.160 ( 4.346 -7.296 1.370) 8.602 7.273 ( 5.574 -5.131 -0.059) 7.576 7.391 ( 2.861 3.651 1.623) 4.914 7.510 ( -1.094 -7.846 -2.325) 8.256 7.611 ( -8.379 0.392 -0.250) 8.392 7.684 ( -3.551 0.332 -6.703) 7.592 7.774 ( 8.169 2.196 2.294) 8.765 7.867 ( -2.264 6.087 2.785) 7.067 8.013 ( 1.636 -1.085 -5.792) 6.116 8.065 ( 0.425 -5.890 -5.144) 7.831 8.204 ( -5.009 -5.422 5.025) 8.930 8.242 ( 2.828 -4.895 -0.015) 5.654 8.407 ( 5.844 -3.579 -2.304) 7.229 8.487 ( -6.657 1.265 -3.635) 7.689 8.662 ( 2.383 3.628 1.685) 4.656 8.773 ( -3.942 5.945 -0.724) 7.170 8.828 ( -1.572 1.521 -0.823) 2.337 8.918 ( -1.189 -2.797 -2.551) 3.968 9.147 ( 1.844 2.344 1.410) 3.299 9.202 ( 3.214 3.524 1.151) 4.907 9.257 ( -0.691 -0.809 2.470) 2.689 9.341 ( -1.471 -6.042 -0.840) 6.274 9.631 ( 3.209 0.944 -0.297) 3.359 9.721 ( 0.599 0.140 0.237) 0.659 9.854 ( 0.446 -4.791 -0.567) 4.844 9.952 ( 4.166 3.237 -5.201) 7.409 10.068 ( -1.795 3.586 3.485) 5.314 10.268 ( -4.316 -1.607 -3.129) 5.568 10.367 ( 3.365 2.357 0.122) 4.111 10.431 ( 8.858 0.730 3.373) 9.506 10.509 ( 0.926 1.668 1.147) 2.226 10.835 ( -6.248 -3.261 -2.282) 7.408 11.116 ( -0.411 5.959 0.877) 6.037 11.298 ( -5.301 -12.795 3.093) 14.191 11.628 ( 5.877 -3.133 -2.392) 7.076 11.844 ( -7.509 2.977 1.640) 8.242 11.919 ( 1.848 2.122 -1.066) 3.009 12.074 ( 7.295 -10.030 -1.708) 12.519 12.320 ( 7.357 -7.194 -0.173) 10.292 12.453 ( 2.537 -8.901 2.804) 9.671 12.958 ( -1.293 -4.253 -2.735) 5.219 13.100 ( 4.359 -2.146 -8.207) 9.537 13.426 ( 1.024 1.164 3.104) 3.470 13.572 ( 0.644 1.015 1.313) 1.780 13.786 ( 3.881 5.025 -3.388) 7.197 14.027 ( -4.269 -4.852 5.240) 8.320 14.148 ( 8.304 3.557 3.570) 9.714 14.391 ( -11.424 7.140 1.982) 13.617 14.474 ( -0.129 4.942 3.048) 5.807 14.736 ( -4.402 -4.813 4.615) 7.990 15.889 ( -3.395 3.339 -1.329) 4.944 16.112 ( -1.534 -3.558 -2.148) 4.430 16.313 ( -0.949 2.278 -1.230) 2.758 16.774 ( -0.768 8.681 0.840) 8.755 16.967 ( 2.551 -11.220 17.302) 20.779 17.052 ( 7.676 5.362 -8.899) 12.918 17.424 ( -2.787 -0.194 -8.356) 8.811 17.596 ( -14.782 10.546 12.133) 21.839 18.596 ( -0.434 -1.904 0.053) 1.953 18.639 ( 3.040 -1.339 7.958) 8.623 18.888 ( 2.818 -4.060 -13.390) 14.273 19.023 ( -0.830 -4.299 1.682) 4.691 19.749 ( 2.003 -0.220 -0.238) 2.029 19.855 ( -1.996 1.872 0.027) 2.737 20.124 ( 6.537 0.153 -1.871) 6.801 20.319 ( -2.339 5.051 -3.491) 6.571 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -0.000 6.593 0.000) 6.593 2.350 ( 0.000 -2.819 0.000) 2.819 2.533 ( 0.000 6.544 0.000) 6.544 2.579 ( -0.000 3.821 -0.000) 3.821 2.754 ( -0.000 12.698 -0.000) 12.698 2.911 ( 0.000 1.609 0.000) 1.609 3.123 ( -0.000 5.314 0.000) 5.314 3.442 ( 0.000 19.922 0.000) 19.922 3.635 ( -0.000 7.071 -0.000) 7.071 3.909 ( 0.000 4.106 -0.000) 4.106 3.936 ( -0.000 3.816 0.000) 3.816 4.052 ( 0.000 -8.670 0.000) 8.670 4.090 ( 0.000 14.627 -0.000) 14.627 4.247 ( -0.000 1.478 -0.000) 1.478 4.314 ( -0.000 2.397 -0.000) 2.397 4.466 ( -0.000 9.945 -0.000) 9.945 4.689 ( -0.000 -12.496 -0.000) 12.496 4.725 ( 0.000 7.017 0.000) 7.017 4.766 ( 0.000 3.003 0.000) 3.003 4.885 ( -0.000 2.448 0.000) 2.448 4.967 ( 0.000 1.845 -0.000) 1.845 5.052 ( 0.000 -1.817 -0.000) 1.817 5.093 ( -0.000 5.603 0.000) 5.603 5.168 ( 0.000 1.360 0.000) 1.360 5.468 ( 0.000 1.002 -0.000) 1.002 5.476 ( -0.000 -2.058 0.000) 2.058 5.524 ( -0.000 1.742 0.000) 1.742 5.735 ( 0.000 -2.893 -0.000) 2.893 5.980 ( -0.000 -2.538 -0.000) 2.538 6.026 ( 0.000 -8.704 -0.000) 8.704 6.141 ( -0.000 -5.444 0.000) 5.444 6.178 ( 0.000 -4.014 -0.000) 4.014 6.306 ( -0.000 -5.056 0.000) 5.056 6.352 ( 0.000 0.744 -0.000) 0.744 6.408 ( -0.000 -4.633 0.000) 4.633 6.578 ( 0.000 -0.630 0.000) 0.630 6.657 ( -0.000 3.467 -0.000) 3.467 6.796 ( 0.000 -4.917 0.000) 4.917 6.808 ( 0.000 -3.646 0.000) 3.646 6.916 ( 0.000 1.423 -0.000) 1.423 6.939 ( -0.000 -4.556 0.000) 4.556 7.071 ( 0.000 1.166 0.000) 1.166 7.240 ( 0.000 -9.390 0.000) 9.390 7.334 ( 0.000 -3.939 0.000) 3.939 7.400 ( 0.000 2.636 0.000) 2.636 7.467 ( 0.000 1.062 0.000) 1.062 7.583 ( 0.000 -1.127 0.000) 1.127 7.632 ( -0.000 -8.080 -0.000) 8.080 7.801 ( 0.000 5.882 0.000) 5.882 7.930 ( 0.000 3.112 0.000) 3.112 7.991 ( 0.000 -4.204 0.000) 4.204 8.023 ( 0.000 1.115 -0.000) 1.115 8.185 ( 0.000 -2.705 0.000) 2.705 8.236 ( 0.000 -9.031 0.000) 9.031 8.407 ( 0.000 -1.074 0.000) 1.074 8.450 ( 0.000 -1.033 -0.000) 1.033 8.635 ( 0.000 8.347 -0.000) 8.347 8.738 ( -0.000 4.658 0.000) 4.658 8.855 ( 0.000 -2.167 0.000) 2.167 8.892 ( 0.000 -0.041 -0.000) 0.041 9.180 ( -0.000 2.150 -0.000) 2.150 9.247 ( -0.293 0.000 -1.937) 1.959 9.247 ( 0.293 3.074 1.937) 3.645 9.337 ( 0.000 -6.919 0.000) 6.919 9.661 ( -0.000 0.533 0.000) 0.533 9.721 ( 0.000 -0.267 -0.000) 0.267 9.829 ( -0.000 -6.980 -0.000) 6.980 10.002 ( -0.000 8.975 0.000) 8.975 10.059 ( 0.000 2.654 -0.000) 2.654 10.200 ( 0.000 -1.602 0.000) 1.602 10.398 ( -0.000 5.657 0.000) 5.657 10.523 ( 0.000 1.488 0.000) 1.488 10.644 ( -0.000 1.889 -0.000) 1.889 10.660 ( 0.000 -3.345 0.000) 3.345 11.175 ( 0.000 2.107 -0.000) 2.107 11.203 ( -0.000 -9.575 0.000) 9.575 11.686 ( 0.000 -4.027 0.000) 4.027 11.758 ( -0.000 3.727 0.000) 3.727 11.930 ( 0.000 1.944 0.000) 1.944 12.125 ( 0.000 -6.183 0.000) 6.183 12.397 ( 0.000 -7.295 -0.000) 7.295 12.509 ( 0.000 -13.159 0.000) 13.159 12.919 ( -0.000 -6.068 -0.000) 6.068 13.107 ( 0.000 -3.543 0.000) 3.543 13.455 ( 0.000 2.528 0.000) 2.528 13.561 ( 0.000 0.807 0.000) 0.807 13.886 ( 0.000 16.338 0.000) 16.338 13.986 ( -0.000 -10.338 -0.000) 10.338 14.125 ( 0.000 -0.391 0.000) 0.391 14.387 ( 0.000 2.523 0.000) 2.523 14.591 ( -0.000 -5.624 0.000) 5.624 14.617 ( -0.000 5.218 -0.000) 5.218 15.849 ( 0.000 3.479 0.000) 3.479 16.080 ( 0.000 -1.455 0.000) 1.455 16.300 ( -0.000 2.027 0.000) 2.027 16.768 ( 0.000 8.517 -0.000) 8.517 17.069 ( 0.000 5.589 -0.000) 5.589 17.105 ( -0.000 -10.961 0.000) 10.961 17.338 ( 0.000 1.644 -0.000) 1.644 17.516 ( -0.000 7.820 0.000) 7.820 18.590 ( 0.000 -1.019 -0.000) 1.019 18.775 ( 0.000 -1.409 0.000) 1.409 18.775 ( -0.000 -3.081 -0.000) 3.081 19.030 ( 0.000 -5.208 0.000) 5.208 19.781 ( -0.000 0.615 0.000) 0.615 19.822 ( 0.000 -0.624 -0.000) 0.624 20.192 ( 0.000 2.747 0.000) 2.747 20.271 ( -0.000 2.488 -0.000) 2.488 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 28.753 0.000) 28.753 1.729 ( 0.000 38.054 0.000) 38.054 2.618 ( 0.000 16.476 0.000) 16.476 2.924 ( 0.000 24.990 0.000) 24.990 3.206 ( 0.000 7.854 0.000) 7.854 3.286 ( 0.000 2.650 0.000) 2.650 3.519 ( 0.000 1.080 0.000) 1.080 3.619 ( 0.000 10.823 0.000) 10.823 3.701 ( 0.000 3.614 0.000) 3.614 3.838 ( 0.000 3.047 0.000) 3.047 3.997 ( 0.000 -2.035 0.000) 2.035 4.003 ( 0.000 1.231 0.000) 1.231 4.135 ( 0.000 4.512 0.000) 4.512 4.258 ( 0.000 -2.745 0.000) 2.745 4.408 ( 0.000 4.673 0.000) 4.673 4.525 ( 0.000 12.725 0.000) 12.725 4.623 ( 0.000 3.332 0.000) 3.332 4.769 ( 0.000 -3.506 0.000) 3.506 4.878 ( 0.000 -2.879 0.000) 2.879 4.907 ( 0.000 4.804 0.000) 4.804 5.042 ( 0.000 -5.369 0.000) 5.369 5.044 ( 0.000 -0.228 0.000) 0.228 5.154 ( 0.000 -4.797 0.000) 4.797 5.211 ( 0.000 -0.419 0.000) 0.419 5.268 ( 0.000 -2.325 0.000) 2.325 5.352 ( 0.000 -4.125 0.000) 4.125 5.660 ( 0.000 9.360 0.000) 9.360 5.736 ( 0.000 -12.497 0.000) 12.497 5.877 ( 0.000 4.821 0.000) 4.821 5.975 ( 0.000 -4.397 0.000) 4.397 6.089 ( 0.000 -4.681 0.000) 4.681 6.185 ( 0.000 4.442 0.000) 4.442 6.234 ( 0.000 1.681 0.000) 1.681 6.293 ( 0.000 -14.020 0.000) 14.020 6.313 ( 0.000 1.845 0.000) 1.845 6.645 ( 0.000 -2.599 0.000) 2.599 6.672 ( 0.000 -2.218 0.000) 2.218 6.794 ( 0.000 -4.543 0.000) 4.543 6.805 ( 0.000 -6.174 0.000) 6.174 6.878 ( 0.000 -6.711 0.000) 6.711 7.094 ( 0.000 2.519 0.000) 2.519 7.095 ( 0.000 3.886 0.000) 3.886 7.241 ( 0.000 0.393 0.000) 0.393 7.334 ( 0.000 -2.374 0.000) 2.374 7.335 ( 0.000 -4.524 0.000) 4.524 7.571 ( 0.000 0.083 0.000) 0.083 7.644 ( 0.000 -11.353 0.000) 11.353 7.659 ( 0.000 -2.227 0.000) 2.227 7.848 ( 0.000 -3.699 0.000) 3.699 7.865 ( 0.000 5.939 0.000) 5.939 7.930 ( 0.000 -8.556 0.000) 8.556 7.939 ( 0.000 0.843 0.000) 0.843 8.134 ( 0.000 5.964 0.000) 5.964 8.138 ( 0.000 3.184 0.000) 3.184 8.406 ( 0.000 1.791 0.000) 1.791 8.463 ( 0.000 1.349 0.000) 1.349 8.593 ( 0.000 5.333 0.000) 5.333 8.766 ( 0.000 -1.657 0.000) 1.657 9.054 ( 0.000 -1.917 0.000) 1.917 9.092 ( 0.000 2.243 0.000) 2.243 9.146 ( 0.000 1.197 0.000) 1.197 9.251 ( 0.000 -4.462 0.000) 4.462 9.318 ( 0.000 -1.479 0.000) 1.479 9.333 ( 0.000 -3.641 0.000) 3.641 9.411 ( 0.000 -3.567 0.000) 3.567 9.552 ( 0.000 -5.878 0.000) 5.878 9.676 ( 0.000 1.048 0.000) 1.048 9.869 ( 0.000 -5.893 0.000) 5.893 10.166 ( 0.000 -0.447 0.000) 0.447 10.168 ( 0.000 1.004 0.000) 1.004 10.309 ( 0.000 3.856 0.000) 3.856 10.325 ( 0.000 2.528 0.000) 2.528 10.435 ( 0.000 -2.527 0.000) 2.527 10.912 ( 0.000 -11.553 0.000) 11.553 10.974 ( 0.000 1.817 0.000) 1.817 11.272 ( 0.000 -2.093 0.000) 2.093 11.479 ( 0.000 9.695 0.000) 9.695 11.650 ( 0.000 -1.875 0.000) 1.875 11.955 ( 0.000 -2.240 0.000) 2.240 12.034 ( 0.000 3.479 0.000) 3.479 12.143 ( 0.000 3.665 0.000) 3.665 12.438 ( 0.000 -4.169 0.000) 4.169 12.990 ( 0.000 -2.224 0.000) 2.224 13.071 ( 0.000 2.782 0.000) 2.782 13.311 ( 0.000 -3.326 0.000) 3.326 13.515 ( 0.000 2.284 0.000) 2.284 13.774 ( 0.000 3.074 0.000) 3.074 14.016 ( 0.000 -1.710 0.000) 1.710 14.175 ( 0.000 2.025 0.000) 2.025 14.250 ( 0.000 -8.902 0.000) 8.902 14.687 ( 0.000 3.190 0.000) 3.190 15.086 ( 0.000 -5.835 0.000) 5.835 16.098 ( 0.000 5.061 0.000) 5.061 16.124 ( 0.000 -0.984 0.000) 0.984 16.151 ( 0.000 -4.621 0.000) 4.621 16.392 ( 0.000 0.962 0.000) 0.962 17.046 ( 0.000 12.655 0.000) 12.655 17.144 ( 0.000 6.115 0.000) 6.115 17.603 ( 0.000 2.490 0.000) 2.490 18.201 ( 0.000 -4.068 0.000) 4.068 18.394 ( 0.000 1.578 0.000) 1.578 18.496 ( 0.000 0.162 0.000) 0.162 18.798 ( 0.000 -6.012 0.000) 6.012 18.878 ( 0.000 -8.017 0.000) 8.017 19.802 ( 0.000 3.429 0.000) 3.429 19.949 ( 0.000 6.033 0.000) 6.033 19.999 ( 0.000 0.485 0.000) 0.485 20.503 ( 0.000 -4.289 0.000) 4.289 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 17.065 23.690 3.785) 29.441 1.872 ( 10.257 32.375 10.440) 35.530 2.688 ( -1.690 -1.581 0.389) 2.346 3.061 ( 13.100 31.076 9.639) 35.075 3.192 ( -0.724 6.678 0.004) 6.717 3.281 ( 1.574 10.857 -2.856) 11.336 3.493 ( -1.620 2.192 2.588) 3.758 3.603 ( -3.623 0.733 -8.173) 8.970 3.701 ( -3.611 7.357 -6.558) 10.496 3.766 ( -3.840 0.366 3.996) 5.554 3.947 ( 4.821 4.166 2.818) 6.967 4.022 ( -4.013 5.480 0.298) 6.799 4.114 ( 5.061 2.829 0.913) 5.870 4.222 ( -11.341 5.992 -10.725) 16.719 4.355 ( 1.548 -2.153 0.463) 2.691 4.454 ( -5.950 13.286 3.934) 15.080 4.629 ( 7.750 2.695 -4.226) 9.229 4.691 ( -1.661 -2.218 -0.722) 2.864 4.903 ( -4.631 -0.660 1.704) 4.978 4.934 ( -1.667 -0.678 1.538) 2.367 5.027 ( -0.349 -0.632 3.727) 3.796 5.124 ( 7.410 1.205 -0.051) 7.508 5.255 ( 4.684 -0.441 2.110) 5.156 5.324 ( 7.308 -2.295 -5.225) 9.272 5.353 ( 10.422 -5.471 2.079) 11.953 5.441 ( 2.067 -5.247 2.878) 6.331 5.639 ( -2.276 -1.861 -0.423) 2.970 5.699 ( 3.113 6.367 1.785) 7.309 5.836 ( -7.109 -0.791 3.309) 7.882 5.946 ( -3.379 -9.057 1.208) 9.742 6.007 ( -3.039 0.350 -0.654) 3.129 6.186 ( 0.049 -4.647 -6.577) 8.053 6.200 ( -6.492 -2.967 -0.592) 7.162 6.319 ( 9.934 -5.847 -3.732) 12.116 6.374 ( 0.751 1.708 3.297) 3.788 6.526 ( -6.512 -6.418 -4.562) 10.218 6.693 ( -1.619 -3.624 -5.052) 6.425 6.747 ( 1.563 -1.469 3.290) 3.927 6.848 ( -3.201 -3.181 -1.519) 4.762 6.944 ( 3.305 -2.555 5.316) 6.761 7.030 ( -3.770 -0.266 2.376) 4.464 7.089 ( -11.199 0.539 2.692) 11.531 7.138 ( 1.028 2.900 0.224) 3.085 7.273 ( -5.891 0.709 0.371) 5.945 7.333 ( -1.121 -3.959 -1.625) 4.424 7.556 ( -4.320 -5.165 0.633) 6.763 7.600 ( 0.546 1.559 -2.362) 2.883 7.673 ( 2.063 1.757 -3.248) 4.230 7.776 ( 0.648 -10.202 -2.548) 10.535 7.914 ( 0.564 1.163 -0.079) 1.295 7.941 ( -0.339 -3.167 -0.011) 3.185 8.040 ( -0.246 -0.325 -0.734) 0.839 8.107 ( 6.536 -2.851 2.146) 7.446 8.163 ( 2.306 3.502 -1.408) 4.423 8.286 ( -4.148 -2.090 -8.034) 9.280 8.520 ( 0.868 -1.084 3.559) 3.821 8.709 ( 3.727 2.494 -0.837) 4.562 8.766 ( 3.662 2.622 1.303) 4.689 8.996 ( -7.070 2.979 -1.047) 7.743 9.008 ( -3.273 -0.415 -3.510) 4.817 9.142 ( -0.473 -0.450 0.685) 0.946 9.227 ( -3.189 -2.642 -1.017) 4.264 9.247 ( -2.376 -2.026 5.009) 5.902 9.306 ( -2.909 0.009 0.967) 3.065 9.544 ( 7.309 -5.568 0.075) 9.188 9.612 ( 4.400 -3.538 1.569) 5.860 9.702 ( 2.194 -1.755 0.892) 2.948 9.875 ( 4.913 -5.094 -5.728) 9.105 10.152 ( -0.599 3.112 0.549) 3.216 10.234 ( 4.156 -1.440 5.049) 6.696 10.325 ( 1.299 1.340 -1.247) 2.245 10.383 ( -1.641 -1.070 -2.771) 3.393 10.449 ( 6.990 1.998 2.698) 7.754 10.875 ( -3.241 -5.620 -0.560) 6.512 11.014 ( 2.544 -5.055 1.676) 5.902 11.338 ( 2.080 -3.976 -3.234) 5.531 11.411 ( -0.052 9.243 2.730) 9.638 11.734 ( 5.137 -2.328 2.115) 6.024 11.970 ( -1.367 0.184 5.772) 5.934 12.060 ( 3.613 1.982 -6.089) 7.352 12.103 ( -5.044 0.953 5.281) 7.365 12.400 ( -1.168 -2.887 -4.414) 5.402 12.958 ( -0.792 -0.546 -2.429) 2.613 13.054 ( 0.712 -2.315 -7.710) 8.082 13.364 ( 3.387 -0.369 4.538) 5.674 13.509 ( -0.846 0.575 4.133) 4.257 13.825 ( -0.008 -2.033 -0.826) 2.195 14.027 ( -2.324 -4.772 0.405) 5.324 14.052 ( 0.153 6.854 4.595) 8.254 14.399 ( 5.638 -5.079 4.728) 8.941 14.679 ( -1.087 1.735 0.657) 2.151 14.869 ( -14.434 0.110 -9.931) 17.521 16.030 ( -3.362 1.141 1.627) 3.905 16.091 ( -0.093 2.803 -2.314) 3.635 16.354 ( 2.253 -3.546 1.286) 4.394 16.440 ( 9.440 -3.929 7.704) 12.802 17.052 ( -1.405 12.670 3.021) 13.101 17.155 ( 2.893 6.637 -2.514) 7.664 17.545 ( -2.841 1.704 -6.165) 6.999 17.995 ( -19.383 2.184 8.973) 21.471 18.498 ( 7.193 -2.210 -3.965) 8.506 18.525 ( 1.123 -0.324 4.155) 4.316 18.798 ( 2.637 -5.009 -3.964) 6.911 18.898 ( 0.848 -8.381 -0.509) 8.439 19.772 ( -2.167 2.721 0.580) 3.527 19.947 ( -2.676 1.783 0.240) 3.224 20.044 ( 6.405 3.707 -0.985) 7.465 20.461 ( -2.176 -1.639 -3.486) 4.424 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 24.877 13.974 1.181) 28.557 2.252 ( 17.025 21.352 15.487) 31.394 2.556 ( -11.573 -0.150 3.631) 12.130 3.017 ( -8.452 5.956 -6.356) 12.137 3.207 ( -7.506 5.035 -2.366) 9.343 3.291 ( -17.272 5.259 -8.040) 19.765 3.342 ( -4.120 5.430 -10.749) 12.728 3.571 ( 10.486 9.645 4.745) 15.017 3.757 ( 11.820 17.911 14.657) 25.988 3.846 ( 4.208 4.956 1.649) 6.707 3.977 ( 0.529 -2.108 -1.538) 2.663 4.040 ( -1.234 9.760 -3.100) 10.315 4.149 ( 9.496 4.079 3.404) 10.881 4.260 ( 9.934 7.726 -1.751) 12.706 4.336 ( -2.285 -9.396 4.602) 10.709 4.373 ( 1.404 20.546 0.148) 20.594 4.700 ( 1.813 2.790 -0.276) 3.339 4.788 ( 1.781 -0.730 1.220) 2.279 4.819 ( 3.926 -1.589 -1.983) 4.677 4.948 ( -5.704 -2.020 5.940) 8.479 5.026 ( -1.449 5.490 2.096) 6.052 5.139 ( -0.477 2.727 -4.758) 5.504 5.305 ( 2.741 -1.425 -6.561) 7.252 5.367 ( -4.987 3.573 -4.097) 7.377 5.405 ( 1.827 -2.733 -0.252) 3.297 5.501 ( 2.168 -0.699 2.135) 3.122 5.633 ( -5.184 -0.861 -2.460) 5.802 5.706 ( -6.571 -3.679 5.866) 9.546 5.815 ( 0.279 0.094 3.644) 3.656 5.914 ( 1.806 -8.210 6.980) 10.926 6.009 ( -3.513 -2.605 -4.150) 6.029 6.076 ( 2.832 -3.652 -2.776) 5.391 6.192 ( 2.649 -5.557 -9.786) 11.561 6.277 ( -2.164 -3.781 -0.205) 4.362 6.413 ( -5.098 -1.328 2.186) 5.703 6.472 ( 7.885 -3.535 -5.057) 10.012 6.662 ( -5.510 3.095 -1.344) 6.461 6.711 ( 0.823 -3.515 6.133) 7.116 6.777 ( -2.907 -5.585 -0.640) 6.328 6.925 ( -9.712 -1.400 8.379) 12.903 6.992 ( -4.361 1.391 1.149) 4.720 7.006 ( 3.407 -5.233 -7.408) 9.689 7.113 ( -3.624 -3.428 -4.925) 7.010 7.236 ( 2.483 1.881 5.206) 6.067 7.350 ( 2.273 -4.240 1.998) 5.209 7.478 ( -0.825 1.406 -3.763) 4.101 7.565 ( -5.287 -1.307 4.977) 7.378 7.697 ( -2.797 -2.290 -7.843) 8.636 7.762 ( 4.777 -5.961 1.858) 7.861 7.917 ( 1.723 3.785 0.197) 4.164 7.949 ( -1.429 -4.772 0.269) 4.989 8.039 ( -0.335 2.142 -1.622) 2.708 8.124 ( -0.593 -3.193 -3.399) 4.701 8.161 ( 2.513 -3.101 -6.505) 7.632 8.290 ( 5.199 -4.367 2.457) 7.221 8.510 ( -3.846 0.521 -0.640) 3.934 8.677 ( -2.481 -2.187 1.092) 3.483 8.849 ( -3.317 -2.164 -2.580) 4.726 8.892 ( 0.959 5.007 -2.432) 5.648 8.933 ( -1.383 5.790 2.243) 6.361 9.170 ( 1.178 -4.845 3.238) 5.945 9.192 ( 0.305 -0.532 -0.659) 0.900 9.232 ( -3.083 -4.908 2.201) 6.200 9.312 ( 1.462 5.153 2.002) 5.719 9.624 ( 0.565 -10.804 -2.976) 11.220 9.679 ( 1.963 -2.170 0.484) 2.965 9.712 ( 0.941 0.674 0.427) 1.234 9.983 ( 8.925 -1.993 -3.343) 9.737 10.151 ( -0.401 4.010 0.917) 4.133 10.269 ( -2.742 1.604 -1.298) 3.431 10.390 ( 7.048 -0.761 2.182) 7.417 10.446 ( 7.023 -0.291 2.483) 7.455 10.538 ( 0.716 2.629 1.637) 3.178 10.804 ( -2.942 -0.741 -2.169) 3.729 11.035 ( -2.914 -8.626 0.977) 9.157 11.258 ( -3.771 4.882 1.497) 6.347 11.539 ( 6.453 -1.908 -0.862) 6.784 11.847 ( 4.597 -5.618 0.013) 7.259 11.956 ( -4.652 2.732 1.904) 5.721 12.004 ( -0.999 3.964 1.502) 4.355 12.154 ( 2.975 -7.241 2.163) 8.122 12.346 ( 0.135 -3.521 -4.821) 5.971 12.897 ( -3.801 -0.829 -3.535) 5.257 13.016 ( 2.503 -3.982 -3.692) 5.979 13.461 ( 2.390 0.940 2.508) 3.590 13.564 ( 1.299 -0.959 3.682) 4.021 13.783 ( -1.403 -4.960 -0.710) 5.203 13.965 ( -1.284 -0.902 6.100) 6.298 14.253 ( 10.210 4.808 2.794) 11.626 14.483 ( -0.678 -3.272 3.529) 4.860 14.502 ( -14.358 3.210 -9.782) 17.667 14.671 ( -1.087 -1.373 1.684) 2.430 15.983 ( -2.550 5.229 -0.399) 5.832 16.079 ( 0.421 1.131 -0.863) 1.483 16.346 ( -0.119 0.476 -1.699) 1.769 16.702 ( 7.311 -10.190 9.152) 15.525 17.040 ( -2.239 11.777 2.693) 12.287 17.204 ( 4.845 8.347 -4.129) 10.497 17.426 ( -2.416 0.822 -6.704) 7.173 17.754 ( -13.980 4.510 6.656) 16.127 18.553 ( 1.545 -1.963 -0.519) 2.551 18.605 ( 2.581 -1.574 5.981) 6.702 18.803 ( 2.013 -3.917 -7.677) 8.851 18.887 ( -1.046 -8.113 0.802) 8.220 19.762 ( 0.926 1.337 0.152) 1.633 19.880 ( -4.327 0.416 0.251) 4.354 20.165 ( 7.003 3.309 -0.661) 7.774 20.383 ( -3.129 1.070 -2.501) 4.146 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -0.000 7.665 0.000) 7.665 2.315 ( 0.000 0.061 -0.000) 0.061 2.686 ( 0.000 6.811 0.000) 6.811 2.778 ( -0.000 14.711 -0.000) 14.711 2.972 ( 0.000 4.797 0.000) 4.797 3.086 ( -0.000 17.385 -0.000) 17.385 3.260 ( -0.000 7.461 0.000) 7.461 3.790 ( 0.000 7.516 0.000) 7.516 3.837 ( -0.000 -8.848 -0.000) 8.848 3.864 ( 0.000 13.565 -0.000) 13.565 3.957 ( -0.000 1.563 0.000) 1.563 4.071 ( -0.000 13.535 -0.000) 13.535 4.263 ( 0.000 0.636 -0.000) 0.636 4.292 ( 0.000 -8.216 0.000) 8.216 4.457 ( 0.000 6.050 0.000) 6.050 4.584 ( 0.000 16.617 0.000) 16.617 4.617 ( -0.000 0.288 -0.000) 0.288 4.863 ( 0.000 4.880 -0.000) 4.880 4.863 ( -0.000 -4.829 0.000) 4.829 4.915 ( 0.000 5.549 0.000) 5.549 5.012 ( -0.000 -1.090 -0.000) 1.090 5.082 ( 0.000 14.026 0.000) 14.026 5.205 ( 0.000 4.531 0.000) 4.531 5.259 ( 0.000 4.470 0.000) 4.470 5.417 ( -0.000 -0.129 -0.000) 0.129 5.525 ( 0.000 4.079 -0.000) 4.079 5.556 ( -0.000 0.268 0.000) 0.268 5.651 ( 0.000 -5.913 -0.000) 5.913 5.829 ( -0.000 -7.326 -0.000) 7.326 5.928 ( 0.000 -5.521 0.000) 5.521 5.982 ( 0.000 -8.754 -0.000) 8.754 6.089 ( -0.000 -2.736 0.000) 2.736 6.197 ( 0.000 -3.805 -0.000) 3.805 6.302 ( 0.000 -4.119 0.000) 4.119 6.365 ( 0.000 -0.265 0.000) 0.265 6.522 ( 0.000 -2.106 0.000) 2.106 6.643 ( -0.000 -5.339 0.000) 5.339 6.711 ( 0.000 -6.180 0.000) 6.180 6.776 ( 0.000 -8.522 -0.000) 8.522 6.850 ( 0.000 9.570 0.000) 9.570 6.917 ( -0.000 -1.989 0.000) 1.989 7.039 ( -0.000 -7.099 0.000) 7.099 7.042 ( 0.000 -3.578 -0.000) 3.578 7.324 ( -0.000 3.656 -0.000) 3.656 7.384 ( -0.000 -4.246 -0.000) 4.246 7.403 ( 0.000 -6.407 0.000) 6.407 7.594 ( -0.000 2.828 -0.000) 2.828 7.597 ( 0.000 1.273 0.000) 1.273 7.798 ( 0.000 -10.802 0.000) 10.802 7.915 ( 0.000 -5.965 -0.000) 5.965 7.963 ( -0.000 8.170 -0.000) 8.170 8.037 ( 0.000 -0.173 0.000) 0.173 8.101 ( 0.000 -2.577 0.000) 2.577 8.147 ( -0.000 -1.374 -0.000) 1.374 8.383 ( 0.000 -0.621 0.000) 0.621 8.437 ( 0.000 -1.457 -0.000) 1.457 8.674 ( -0.000 -6.373 -0.000) 6.373 8.754 ( 0.000 0.983 0.000) 0.983 8.897 ( 0.000 3.327 -0.000) 3.327 8.951 ( -0.000 6.713 0.000) 6.713 9.182 ( -0.000 -6.280 0.000) 6.280 9.205 ( -0.000 -3.738 0.000) 3.738 9.230 ( 0.000 -1.786 -0.000) 1.786 9.332 ( -0.000 4.613 -0.000) 4.613 9.584 ( 0.000 -12.010 -0.000) 12.010 9.704 ( 0.000 -2.486 -0.000) 2.486 9.735 ( 0.000 4.600 0.000) 4.600 10.058 ( 0.000 -3.075 -0.000) 3.075 10.149 ( 0.000 4.954 0.000) 4.954 10.236 ( 0.000 4.069 0.000) 4.069 10.499 ( -0.000 2.378 0.000) 2.378 10.512 ( 0.000 -1.770 -0.000) 1.770 10.581 ( 0.000 -2.354 0.000) 2.354 10.741 ( 0.000 5.469 0.000) 5.469 10.984 ( 0.000 -8.802 -0.000) 8.802 11.242 ( 0.000 3.348 0.000) 3.348 11.592 ( 0.000 -2.904 0.000) 2.904 11.839 ( 0.000 1.752 0.000) 1.752 11.971 ( 0.000 -5.277 -0.000) 5.277 12.004 ( -0.000 4.095 0.000) 4.095 12.203 ( 0.000 -9.910 -0.000) 9.910 12.319 ( -0.000 -5.358 -0.000) 5.358 12.832 ( -0.000 -0.930 -0.000) 0.930 13.031 ( 0.000 -3.520 0.000) 3.520 13.492 ( 0.000 0.251 0.000) 0.251 13.592 ( -0.000 2.488 0.000) 2.488 13.754 ( 0.000 -10.769 0.000) 10.769 14.123 ( 0.000 -2.175 0.000) 2.175 14.177 ( -0.000 10.745 -0.000) 10.745 14.412 ( 0.000 0.672 -0.000) 0.672 14.473 ( -0.000 -4.510 0.000) 4.510 14.665 ( 0.000 -0.840 0.000) 0.840 15.953 ( 0.000 6.135 0.000) 6.135 16.081 ( 0.000 2.023 0.000) 2.023 16.337 ( -0.000 0.842 0.000) 0.842 16.819 ( 0.000 -10.073 0.000) 10.073 17.034 ( 0.000 9.678 0.000) 9.678 17.222 ( 0.000 8.931 -0.000) 8.931 17.381 ( 0.000 2.104 -0.000) 2.104 17.644 ( -0.000 4.247 0.000) 4.247 18.562 ( 0.000 -1.504 -0.000) 1.504 18.703 ( 0.000 -3.281 0.000) 3.281 18.733 ( 0.000 -2.582 -0.000) 2.582 18.888 ( 0.000 -7.779 0.000) 7.779 19.798 ( -0.000 0.900 0.000) 0.900 19.814 ( 0.000 -0.115 -0.000) 0.115 20.253 ( 0.000 2.801 0.000) 2.801 20.319 ( -0.000 1.800 -0.000) 1.800 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 23.614 0.000) 23.614 2.450 ( 0.000 29.908 0.000) 29.908 2.509 ( 0.000 -10.536 0.000) 10.536 3.110 ( 0.000 -5.843 0.000) 5.843 3.332 ( 0.000 6.127 0.000) 6.127 3.567 ( 0.000 1.889 0.000) 1.889 3.628 ( 0.000 6.264 0.000) 6.264 3.661 ( 0.000 -5.575 0.000) 5.575 3.832 ( 0.000 6.998 0.000) 6.998 3.882 ( 0.000 2.839 0.000) 2.839 4.044 ( 0.000 5.132 0.000) 5.132 4.118 ( 0.000 -2.555 0.000) 2.555 4.176 ( 0.000 15.654 0.000) 15.654 4.317 ( 0.000 9.183 0.000) 9.183 4.511 ( 0.000 0.098 0.000) 0.098 4.668 ( 0.000 -4.892 0.000) 4.892 4.753 ( 0.000 9.952 0.000) 9.952 4.783 ( 0.000 8.930 0.000) 8.930 4.874 ( 0.000 0.504 0.000) 0.504 4.933 ( 0.000 0.013 0.000) 0.013 4.950 ( 0.000 -4.279 0.000) 4.279 5.035 ( 0.000 -1.496 0.000) 1.496 5.165 ( 0.000 -3.553 0.000) 3.553 5.179 ( 0.000 8.491 0.000) 8.491 5.322 ( 0.000 5.187 0.000) 5.187 5.326 ( 0.000 5.732 0.000) 5.732 5.457 ( 0.000 -12.658 0.000) 12.658 5.796 ( 0.000 2.355 0.000) 2.355 5.867 ( 0.000 -5.407 0.000) 5.407 5.891 ( 0.000 -10.477 0.000) 10.477 5.982 ( 0.000 -0.394 0.000) 0.394 6.123 ( 0.000 3.650 0.000) 3.650 6.137 ( 0.000 -5.200 0.000) 5.200 6.234 ( 0.000 -2.093 0.000) 2.093 6.459 ( 0.000 2.608 0.000) 2.608 6.564 ( 0.000 -7.386 0.000) 7.386 6.585 ( 0.000 -0.173 0.000) 0.173 6.695 ( 0.000 -3.672 0.000) 3.672 6.756 ( 0.000 0.778 0.000) 0.778 6.759 ( 0.000 -1.368 0.000) 1.368 7.143 ( 0.000 -2.921 0.000) 2.921 7.160 ( 0.000 2.833 0.000) 2.833 7.197 ( 0.000 -7.838 0.000) 7.838 7.237 ( 0.000 -6.537 0.000) 6.537 7.292 ( 0.000 2.242 0.000) 2.242 7.464 ( 0.000 -7.296 0.000) 7.296 7.477 ( 0.000 -3.063 0.000) 3.063 7.643 ( 0.000 5.966 0.000) 5.966 7.684 ( 0.000 -9.160 0.000) 9.160 7.895 ( 0.000 -0.648 0.000) 0.648 7.949 ( 0.000 5.722 0.000) 5.722 8.018 ( 0.000 3.139 0.000) 3.139 8.192 ( 0.000 -2.158 0.000) 2.158 8.204 ( 0.000 -0.652 0.000) 0.652 8.417 ( 0.000 -0.661 0.000) 0.661 8.519 ( 0.000 9.618 0.000) 9.618 8.731 ( 0.000 -4.145 0.000) 4.145 8.773 ( 0.000 8.583 0.000) 8.583 9.012 ( 0.000 -1.047 0.000) 1.047 9.046 ( 0.000 -5.809 0.000) 5.809 9.065 ( 0.000 -3.514 0.000) 3.514 9.168 ( 0.000 -3.274 0.000) 3.274 9.277 ( 0.000 -2.865 0.000) 2.865 9.290 ( 0.000 -2.053 0.000) 2.053 9.378 ( 0.000 0.832 0.000) 0.832 9.495 ( 0.000 -1.669 0.000) 1.669 9.656 ( 0.000 -1.385 0.000) 1.385 9.737 ( 0.000 -5.737 0.000) 5.737 10.180 ( 0.000 1.294 0.000) 1.294 10.190 ( 0.000 0.887 0.000) 0.887 10.380 ( 0.000 2.603 0.000) 2.603 10.383 ( 0.000 2.713 0.000) 2.713 10.411 ( 0.000 0.708 0.000) 0.708 10.674 ( 0.000 -10.499 0.000) 10.499 11.030 ( 0.000 3.484 0.000) 3.484 11.216 ( 0.000 -3.990 0.000) 3.990 11.621 ( 0.000 0.208 0.000) 0.208 11.642 ( 0.000 4.156 0.000) 4.156 11.949 ( 0.000 3.087 0.000) 3.087 12.130 ( 0.000 4.485 0.000) 4.485 12.167 ( 0.000 -1.224 0.000) 1.224 12.342 ( 0.000 -4.898 0.000) 4.898 12.982 ( 0.000 1.106 0.000) 1.106 13.083 ( 0.000 -2.084 0.000) 2.084 13.344 ( 0.000 6.757 0.000) 6.757 13.577 ( 0.000 4.330 0.000) 4.330 13.730 ( 0.000 -6.780 0.000) 6.780 13.908 ( 0.000 -9.551 0.000) 9.551 14.147 ( 0.000 0.615 0.000) 0.615 14.201 ( 0.000 0.364 0.000) 0.364 14.779 ( 0.000 5.083 0.000) 5.083 14.981 ( 0.000 -4.518 0.000) 4.518 16.080 ( 0.000 -2.057 0.000) 2.057 16.089 ( 0.000 -1.564 0.000) 1.564 16.229 ( 0.000 6.364 0.000) 6.364 16.400 ( 0.000 -0.780 0.000) 0.780 17.240 ( 0.000 5.132 0.000) 5.132 17.241 ( 0.000 3.233 0.000) 3.233 17.718 ( 0.000 8.604 0.000) 8.604 18.090 ( 0.000 -6.694 0.000) 6.694 18.444 ( 0.000 3.372 0.000) 3.372 18.507 ( 0.000 1.066 0.000) 1.066 18.673 ( 0.000 -5.588 0.000) 5.588 18.710 ( 0.000 -7.747 0.000) 7.747 19.873 ( 0.000 3.311 0.000) 3.311 19.978 ( 0.000 -1.327 0.000) 1.327 20.106 ( 0.000 7.499 0.000) 7.499 20.396 ( 0.000 -5.863 0.000) 5.863 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 10.260 20.632 1.504) 23.091 2.427 ( 0.113 10.513 6.458) 12.338 2.628 ( 4.183 6.851 0.364) 8.036 3.136 ( 0.674 -5.330 3.400) 6.358 3.329 ( -2.240 5.733 1.941) 6.454 3.543 ( -3.065 6.599 -5.025) 8.843 3.570 ( -4.733 -3.056 -6.729) 8.777 3.644 ( 4.653 -1.112 1.846) 5.128 3.765 ( -5.136 0.520 -5.222) 7.343 3.862 ( 2.068 3.698 2.640) 4.992 4.081 ( 4.161 5.548 1.156) 7.031 4.161 ( 5.181 8.083 2.629) 9.955 4.286 ( 5.888 13.501 -0.885) 14.756 4.327 ( -2.495 3.955 -0.964) 4.775 4.396 ( -9.042 8.037 -7.572) 14.272 4.588 ( 2.666 -1.695 3.962) 5.068 4.681 ( -2.077 6.647 3.162) 7.648 4.835 ( -1.682 3.067 -3.338) 4.835 4.871 ( -6.424 0.119 5.297) 8.327 4.925 ( -4.048 2.184 10.065) 11.066 5.013 ( 5.239 -1.930 -0.705) 5.627 5.127 ( 12.591 -1.301 0.807) 12.684 5.231 ( 6.543 -5.244 -8.263) 11.772 5.273 ( 5.700 3.317 -0.089) 6.595 5.281 ( -2.541 -1.726 2.163) 3.757 5.408 ( 4.290 5.249 3.952) 7.847 5.535 ( 5.371 -4.904 2.113) 7.574 5.785 ( -8.202 -1.794 4.331) 9.447 5.808 ( 2.329 1.219 -4.425) 5.147 5.860 ( -5.670 -3.337 2.310) 6.973 6.009 ( 0.869 3.149 -1.287) 3.511 6.090 ( 6.617 -7.014 -4.510) 10.645 6.148 ( -2.740 -1.425 -0.535) 3.134 6.220 ( -0.239 -3.338 1.160) 3.542 6.283 ( -7.541 -6.400 -11.942) 15.506 6.498 ( -4.079 1.251 0.116) 4.268 6.603 ( 0.539 -5.812 -1.756) 6.096 6.676 ( -0.666 0.570 0.269) 0.917 6.782 ( 0.579 -3.773 0.269) 3.827 6.891 ( 3.561 -0.787 6.720) 7.646 7.078 ( -7.575 4.359 3.722) 9.499 7.102 ( -7.063 -4.158 1.631) 8.357 7.204 ( -0.710 4.462 3.456) 5.689 7.236 ( -1.207 -6.254 -1.802) 6.619 7.292 ( 0.992 -0.235 3.184) 3.344 7.403 ( -3.712 -6.721 -0.036) 7.678 7.522 ( -0.081 -8.034 2.288) 8.354 7.657 ( 1.342 2.731 -3.641) 4.745 7.704 ( 5.061 -2.626 0.714) 5.746 7.875 ( 0.922 0.858 -5.075) 5.229 8.004 ( 3.642 5.347 0.400) 6.482 8.052 ( 1.449 -1.811 -0.683) 2.418 8.059 ( -4.260 -1.091 -6.843) 8.134 8.252 ( 2.119 2.243 -8.006) 8.580 8.314 ( -9.020 7.734 -4.129) 12.578 8.448 ( -0.039 -4.327 3.539) 5.590 8.726 ( -1.062 -1.588 -2.945) 3.511 8.812 ( 1.674 -0.112 -0.384) 1.721 8.987 ( -1.728 -1.114 -2.379) 3.144 9.050 ( -1.474 -1.836 1.876) 3.010 9.071 ( -2.354 -9.149 -3.165) 9.963 9.112 ( -2.993 1.183 0.481) 3.254 9.227 ( 0.230 0.093 2.116) 2.131 9.320 ( 1.689 0.428 5.473) 5.744 9.420 ( -2.568 -2.554 0.472) 3.653 9.540 ( 2.886 -5.546 3.643) 7.236 9.688 ( 3.930 1.006 0.867) 4.148 9.787 ( 5.486 -3.655 -0.363) 6.602 10.194 ( 0.718 0.922 -0.699) 1.362 10.204 ( 3.070 -0.746 2.446) 3.995 10.362 ( -0.721 2.634 -0.349) 2.754 10.400 ( 1.901 1.768 -1.493) 2.995 10.500 ( 6.596 2.347 1.913) 7.257 10.698 ( 1.121 -8.630 1.174) 8.781 11.027 ( 0.798 3.459 -2.171) 4.161 11.233 ( 2.796 -5.363 -2.813) 6.670 11.602 ( 0.061 6.457 1.028) 6.539 11.707 ( 1.879 -0.153 3.326) 3.823 11.948 ( -1.303 0.706 3.749) 4.031 12.115 ( -6.807 -1.222 4.996) 8.531 12.139 ( 1.606 4.466 -4.056) 6.244 12.325 ( 0.466 -4.085 -4.687) 6.235 12.965 ( 0.317 0.858 -2.507) 2.669 13.026 ( -3.279 -0.761 -4.872) 5.922 13.393 ( 2.774 3.697 3.684) 5.911 13.534 ( -3.376 1.824 2.278) 4.462 13.744 ( -0.916 -4.957 0.798) 5.104 13.878 ( -3.534 -8.592 2.745) 9.688 14.181 ( 4.418 4.843 4.231) 7.802 14.311 ( 5.742 -2.874 3.996) 7.563 14.728 ( -3.624 2.600 -2.808) 5.270 14.839 ( -9.479 -2.333 -9.064) 13.321 16.051 ( 0.524 2.083 1.616) 2.688 16.196 ( -0.569 3.309 0.012) 3.358 16.246 ( 5.296 -2.689 3.728) 7.013 16.408 ( 2.317 -1.804 -1.077) 3.128 17.237 ( -0.503 4.892 1.226) 5.068 17.275 ( 3.302 3.940 -0.249) 5.146 17.647 ( -5.615 8.360 -2.878) 10.474 17.975 ( -12.036 -3.885 3.758) 13.194 18.485 ( 4.523 0.998 -3.538) 5.829 18.530 ( 0.982 0.965 3.142) 3.430 18.689 ( 1.702 -5.437 -0.097) 5.698 18.727 ( 1.841 -7.146 -1.637) 7.559 19.836 ( -3.282 3.211 0.655) 4.638 19.943 ( -3.590 -1.442 0.381) 3.887 20.158 ( 4.946 6.257 -0.684) 8.005 20.394 ( 0.245 -4.403 -1.434) 4.637 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 13.646 12.487 -1.012) 18.524 2.492 ( -4.234 -3.272 3.567) 6.430 2.689 ( 5.674 16.488 7.811) 19.107 3.073 ( -9.042 -1.297 -2.146) 9.383 3.303 ( 2.005 5.196 -3.160) 6.403 3.420 ( -7.553 5.533 -2.780) 9.766 3.462 ( -2.589 6.007 -3.032) 7.210 3.697 ( -1.329 2.382 4.072) 4.902 3.811 ( 10.705 -1.571 -0.084) 10.820 3.893 ( -0.105 -4.128 -4.956) 6.450 4.093 ( -2.022 -0.867 -1.568) 2.702 4.159 ( -1.196 6.213 -3.489) 7.225 4.308 ( -0.850 11.000 6.300) 12.705 4.402 ( 7.587 12.586 7.457) 16.480 4.427 ( 8.804 14.593 -1.936) 17.152 4.613 ( -1.544 -0.261 2.308) 2.789 4.713 ( 0.546 -4.753 -0.090) 4.785 4.806 ( 4.977 -0.698 -4.345) 6.644 4.874 ( -0.465 1.031 9.016) 9.086 4.967 ( -0.460 8.565 3.859) 9.405 5.097 ( 0.156 0.351 3.934) 3.953 5.159 ( -4.629 0.229 -4.605) 6.533 5.246 ( 3.687 -2.763 -4.874) 6.707 5.345 ( 6.794 -5.567 1.581) 8.925 5.378 ( 5.968 -0.569 0.693) 6.035 5.447 ( -4.532 -3.381 1.940) 5.978 5.573 ( -1.338 -2.301 -4.364) 5.112 5.672 ( -5.454 -1.121 1.986) 5.912 5.787 ( -5.223 -2.347 0.400) 5.740 5.853 ( -2.061 3.602 1.291) 4.347 5.966 ( 0.226 -5.371 -5.840) 7.937 6.068 ( -0.202 2.788 -3.348) 4.361 6.136 ( 3.035 6.676 0.586) 7.357 6.187 ( 5.482 -3.759 -2.677) 7.166 6.318 ( 6.088 -10.291 1.853) 12.099 6.429 ( -1.770 0.133 -2.752) 3.274 6.611 ( 0.816 -6.833 -1.022) 6.957 6.634 ( -4.462 0.215 1.978) 4.886 6.755 ( -5.952 -2.686 2.266) 6.912 6.897 ( -4.040 0.005 2.027) 4.520 6.983 ( -6.290 2.194 4.274) 7.915 7.033 ( 1.424 3.401 -8.048) 8.852 7.142 ( -7.754 5.290 3.829) 10.137 7.200 ( -0.141 -4.254 2.304) 4.840 7.331 ( 0.002 -1.237 1.740) 2.135 7.426 ( 0.107 -4.468 8.041) 9.199 7.495 ( -2.715 -5.958 -1.388) 6.694 7.641 ( 0.981 3.479 -2.005) 4.133 7.805 ( 1.176 4.560 -7.402) 8.773 7.817 ( -2.271 -3.926 -1.191) 4.689 7.970 ( 2.089 -4.348 -5.510) 7.324 8.028 ( 0.618 0.391 -3.714) 3.786 8.048 ( 2.924 -3.452 -3.510) 5.725 8.144 ( 3.123 5.353 -2.926) 6.854 8.328 ( 1.207 4.561 2.506) 5.342 8.462 ( -1.503 -6.469 2.282) 7.022 8.606 ( -6.948 -3.490 -4.441) 8.954 8.784 ( -3.266 -6.284 -0.366) 7.092 8.955 ( 0.973 0.304 -2.878) 3.054 8.978 ( -3.042 -5.717 -0.396) 6.488 9.056 ( -2.171 -1.515 2.426) 3.591 9.105 ( -0.301 -1.977 0.646) 2.102 9.201 ( -0.949 0.233 -0.267) 1.013 9.402 ( 0.759 -6.301 0.126) 6.348 9.431 ( 1.475 3.554 4.944) 6.265 9.591 ( 0.880 -3.825 2.275) 4.536 9.775 ( 4.400 2.799 0.346) 5.226 9.909 ( 6.775 -4.208 -0.919) 8.028 10.217 ( 2.290 2.314 0.124) 3.258 10.299 ( 2.149 -0.700 0.765) 2.386 10.376 ( 3.263 1.943 2.270) 4.425 10.445 ( 3.180 0.238 -0.200) 3.195 10.597 ( 2.259 2.188 0.861) 3.261 10.720 ( 0.627 -5.826 0.497) 5.881 11.013 ( -0.769 4.464 -1.757) 4.858 11.249 ( 0.643 -4.491 -1.059) 4.658 11.620 ( 0.500 6.902 0.011) 6.920 11.756 ( 1.651 -2.572 1.140) 3.262 11.976 ( 0.006 -2.350 3.526) 4.238 12.018 ( -6.947 -0.578 5.155) 8.670 12.130 ( 1.261 3.697 -4.293) 5.804 12.278 ( -0.307 -3.158 -5.354) 6.224 12.917 ( -3.189 1.909 -3.809) 5.322 12.964 ( 0.779 -0.981 -0.655) 1.414 13.459 ( 0.744 -0.400 1.894) 2.074 13.535 ( 0.290 -2.362 3.539) 4.265 13.705 ( -3.207 -0.638 0.372) 3.291 13.900 ( 2.115 -5.563 7.201) 9.342 14.332 ( 6.618 2.810 2.554) 7.630 14.418 ( 1.540 -2.237 2.930) 3.995 14.547 ( -11.111 1.593 -10.249) 15.200 14.633 ( -3.149 -2.375 -1.928) 4.390 16.087 ( 0.643 4.968 1.101) 5.129 16.164 ( -0.415 5.862 -1.091) 5.977 16.321 ( 0.717 -2.638 0.074) 2.735 16.506 ( 5.663 -8.579 3.079) 10.731 17.241 ( -0.145 7.089 1.046) 7.167 17.351 ( 4.881 2.982 -0.203) 5.724 17.505 ( -5.703 8.305 -3.320) 10.608 17.787 ( -10.853 -1.404 2.962) 11.337 18.523 ( 2.033 -0.542 -1.337) 2.493 18.587 ( 2.201 -0.358 2.733) 3.527 18.717 ( -0.935 -6.579 -1.037) 6.725 18.726 ( 1.953 -3.891 -1.560) 4.624 19.799 ( -0.818 2.043 0.287) 2.219 19.873 ( -4.026 -1.041 0.260) 4.167 20.244 ( 4.765 3.948 -0.458) 6.205 20.374 ( -1.178 -1.706 -1.189) 2.390 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -0.000 2.435 0.000) 2.435 2.397 ( 0.000 1.780 -0.000) 1.780 2.866 ( -0.000 8.993 0.000) 8.993 2.954 ( 0.000 2.938 -0.000) 2.938 3.223 ( 0.000 16.009 0.000) 16.009 3.353 ( -0.000 5.375 0.000) 5.375 3.427 ( -0.000 8.867 0.000) 8.867 3.768 ( 0.000 2.913 0.000) 2.913 3.770 ( -0.000 -7.684 -0.000) 7.684 3.914 ( -0.000 -4.349 0.000) 4.349 4.133 ( 0.000 -2.269 -0.000) 2.269 4.133 ( -0.000 8.782 0.000) 8.782 4.336 ( -0.000 8.453 0.000) 8.453 4.431 ( 0.000 14.884 -0.000) 14.884 4.581 ( -0.000 -1.057 -0.000) 1.057 4.624 ( -0.000 10.785 0.000) 10.785 4.761 ( -0.000 -4.224 -0.000) 4.224 4.884 ( 0.000 -2.203 -0.000) 2.203 4.891 ( 0.000 1.579 0.000) 1.579 4.940 ( -0.000 1.080 0.000) 1.080 4.979 ( 0.000 6.729 -0.000) 6.729 5.207 ( 0.000 -6.398 0.000) 6.398 5.305 ( -0.000 0.292 0.000) 0.292 5.375 ( 0.000 4.300 -0.000) 4.300 5.445 ( -0.000 -4.458 0.000) 4.458 5.472 ( 0.000 -9.714 -0.000) 9.714 5.521 ( 0.000 -2.185 0.000) 2.185 5.578 ( -0.000 -0.055 -0.000) 0.055 5.655 ( 0.000 -9.192 -0.000) 9.192 5.765 ( -0.000 -0.197 -0.000) 0.197 6.030 ( 0.000 15.196 0.000) 15.196 6.101 ( -0.000 2.116 -0.000) 2.116 6.175 ( 0.000 1.902 -0.000) 1.902 6.240 ( 0.000 -2.546 0.000) 2.546 6.380 ( 0.000 2.026 0.000) 2.026 6.410 ( 0.000 -13.109 0.000) 13.109 6.591 ( 0.000 0.151 -0.000) 0.151 6.610 ( 0.000 -3.629 0.000) 3.629 6.660 ( 0.000 -0.155 -0.000) 0.155 6.876 ( -0.000 0.394 -0.000) 0.394 6.960 ( -0.000 0.532 0.000) 0.532 6.965 ( 0.000 -1.820 -0.000) 1.820 7.116 ( 0.000 9.911 0.000) 9.911 7.260 ( -0.000 -7.830 -0.000) 7.830 7.302 ( 0.000 -0.636 0.000) 0.636 7.418 ( 0.000 3.273 0.000) 3.273 7.492 ( 0.000 -5.356 0.000) 5.356 7.659 ( -0.000 2.518 0.000) 2.518 7.737 ( 0.000 -8.687 -0.000) 8.687 7.757 ( -0.000 5.915 0.000) 5.915 7.982 ( 0.000 -6.013 -0.000) 6.013 8.040 ( 0.000 -2.737 0.000) 2.737 8.093 ( 0.000 -3.413 -0.000) 3.413 8.164 ( -0.000 9.220 0.000) 9.220 8.395 ( 0.000 1.050 0.000) 1.050 8.420 ( 0.000 0.782 -0.000) 0.782 8.487 ( -0.000 -11.894 -0.000) 11.894 8.748 ( 0.000 -3.148 0.000) 3.148 8.944 ( 0.000 -13.999 0.000) 13.999 8.977 ( -0.000 3.081 0.000) 3.081 9.014 ( 0.000 -2.623 -0.000) 2.623 9.108 ( 0.000 0.341 0.000) 0.341 9.200 ( 0.000 -0.794 -0.000) 0.794 9.407 ( 0.000 -6.047 0.000) 6.047 9.465 ( -0.000 6.416 0.000) 6.416 9.616 ( 0.000 -4.117 0.000) 4.117 9.824 ( -0.000 3.263 0.000) 3.263 9.972 ( 0.000 -4.307 -0.000) 4.307 10.245 ( -0.000 3.924 0.000) 3.924 10.308 ( 0.000 2.258 0.000) 2.258 10.452 ( 0.000 -2.971 0.000) 2.971 10.475 ( 0.000 -1.644 0.000) 1.644 10.616 ( 0.000 2.492 0.000) 2.492 10.730 ( -0.000 -4.725 -0.000) 4.725 10.985 ( -0.000 6.861 0.000) 6.861 11.247 ( 0.000 -3.326 0.000) 3.326 11.622 ( 0.000 4.845 0.000) 4.845 11.776 ( 0.000 -3.981 0.000) 3.981 11.975 ( 0.000 1.302 -0.000) 1.302 12.002 ( 0.000 -4.332 0.000) 4.332 12.119 ( 0.000 2.839 0.000) 2.839 12.244 ( -0.000 -2.655 -0.000) 2.655 12.869 ( 0.000 3.416 -0.000) 3.416 12.969 ( 0.000 -2.182 0.000) 2.182 13.471 ( 0.000 -1.662 0.000) 1.662 13.560 ( 0.000 -7.433 0.000) 7.433 13.672 ( 0.000 5.423 0.000) 5.423 14.006 ( 0.000 -8.261 0.000) 8.261 14.335 ( -0.000 4.650 -0.000) 4.650 14.420 ( 0.000 -0.280 -0.000) 0.280 14.436 ( -0.000 1.296 0.000) 1.296 14.602 ( 0.000 -4.430 0.000) 4.430 16.088 ( 0.000 6.398 0.000) 6.398 16.166 ( 0.000 5.610 0.000) 5.610 16.323 ( 0.000 -1.775 0.000) 1.775 16.582 ( 0.000 -11.290 -0.000) 11.290 17.247 ( 0.000 8.929 0.000) 8.929 17.409 ( 0.000 0.755 0.000) 0.755 17.429 ( 0.000 9.758 0.000) 9.758 17.684 ( -0.000 -0.621 0.000) 0.621 18.535 ( 0.000 -0.733 -0.000) 0.733 18.657 ( 0.000 -5.056 0.000) 5.056 18.659 ( 0.000 -0.618 -0.000) 0.618 18.743 ( 0.000 -5.012 0.000) 5.012 19.813 ( -0.000 0.474 0.000) 0.474 19.815 ( 0.000 0.152 -0.000) 0.152 20.303 ( 0.000 1.965 0.000) 1.965 20.341 ( -0.000 0.306 0.000) 0.306 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 -16.002 0.000) 16.002 2.239 ( 0.000 16.002 0.000) 16.002 2.917 ( 0.000 -14.310 0.000) 14.310 2.917 ( 0.000 14.310 0.000) 14.310 3.506 ( 0.000 -7.560 0.000) 7.560 3.506 ( 0.000 7.560 0.000) 7.560 3.603 ( 0.000 -4.055 0.000) 4.055 3.603 ( 0.000 4.055 0.000) 4.055 3.850 ( 0.000 -4.230 0.000) 4.230 3.850 ( 0.000 4.230 0.000) 4.230 4.146 ( 0.000 -1.613 0.000) 1.613 4.146 ( 0.000 1.613 0.000) 1.613 4.448 ( 0.000 -3.641 0.000) 3.641 4.448 ( 0.000 3.641 0.000) 3.641 4.519 ( 0.000 -11.323 0.000) 11.323 4.519 ( 0.000 11.323 0.000) 11.323 4.852 ( 0.000 -1.630 0.000) 1.630 4.852 ( 0.000 1.630 0.000) 1.630 4.877 ( 0.000 -1.441 0.000) 1.441 4.877 ( 0.000 1.441 0.000) 1.441 5.003 ( 0.000 -0.429 0.000) 0.429 5.003 ( 0.000 0.429 0.000) 0.429 5.201 ( 0.000 -8.703 0.000) 8.703 5.201 ( 0.000 8.703 0.000) 8.703 5.339 ( 0.000 -4.641 0.000) 4.641 5.339 ( 0.000 4.641 0.000) 4.641 5.636 ( 0.000 -16.465 0.000) 16.465 5.636 ( 0.000 16.465 0.000) 16.465 5.784 ( 0.000 -0.906 0.000) 0.906 5.784 ( 0.000 0.906 0.000) 0.906 6.014 ( 0.000 -6.175 0.000) 6.175 6.014 ( 0.000 6.175 0.000) 6.175 6.269 ( 0.000 -11.198 0.000) 11.198 6.269 ( 0.000 11.198 0.000) 11.198 6.442 ( 0.000 -14.707 0.000) 14.707 6.442 ( 0.000 14.707 0.000) 14.707 6.561 ( 0.000 -0.355 0.000) 0.355 6.561 ( 0.000 0.355 0.000) 0.355 6.876 ( 0.000 -10.504 0.000) 10.504 6.876 ( 0.000 10.504 0.000) 10.504 6.943 ( 0.000 -12.713 0.000) 12.713 6.943 ( 0.000 12.713 0.000) 12.713 7.240 ( 0.000 -0.393 0.000) 0.393 7.240 ( 0.000 0.393 0.000) 0.393 7.377 ( 0.000 -5.074 0.000) 5.074 7.377 ( 0.000 5.074 0.000) 5.074 7.494 ( 0.000 -5.159 0.000) 5.159 7.494 ( 0.000 5.159 0.000) 5.159 7.820 ( 0.000 -7.418 0.000) 7.418 7.820 ( 0.000 7.418 0.000) 7.418 8.055 ( 0.000 -1.399 0.000) 1.399 8.055 ( 0.000 1.399 0.000) 1.399 8.127 ( 0.000 -0.393 0.000) 0.393 8.127 ( 0.000 0.393 0.000) 0.393 8.515 ( 0.000 -7.753 0.000) 7.753 8.515 ( 0.000 7.753 0.000) 7.753 8.798 ( 0.000 -8.009 0.000) 8.009 8.798 ( 0.000 8.009 0.000) 8.009 8.991 ( 0.000 -1.141 0.000) 1.141 8.991 ( 0.000 1.141 0.000) 1.141 9.087 ( 0.000 -4.299 0.000) 4.299 9.087 ( 0.000 4.299 0.000) 4.299 9.240 ( 0.000 -0.822 0.000) 0.822 9.240 ( 0.000 0.822 0.000) 0.822 9.433 ( 0.000 -3.597 0.000) 3.597 9.433 ( 0.000 3.597 0.000) 3.597 9.660 ( 0.000 -1.740 0.000) 1.740 9.660 ( 0.000 1.740 0.000) 1.740 10.198 ( 0.000 -0.223 0.000) 0.223 10.198 ( 0.000 0.223 0.000) 0.223 10.408 ( 0.000 -0.088 0.000) 0.088 10.408 ( 0.000 0.088 0.000) 0.088 10.492 ( 0.000 -6.630 0.000) 6.630 10.492 ( 0.000 6.630 0.000) 6.630 11.118 ( 0.000 -4.825 0.000) 4.825 11.118 ( 0.000 4.825 0.000) 4.825 11.650 ( 0.000 -1.745 0.000) 1.745 11.650 ( 0.000 1.745 0.000) 1.745 12.069 ( 0.000 -6.458 0.000) 6.458 12.069 ( 0.000 6.458 0.000) 6.458 12.239 ( 0.000 -4.903 0.000) 4.903 12.239 ( 0.000 4.903 0.000) 4.903 13.024 ( 0.000 -2.786 0.000) 2.786 13.024 ( 0.000 2.786 0.000) 2.786 13.537 ( 0.000 -10.470 0.000) 10.470 13.537 ( 0.000 10.470 0.000) 10.470 13.710 ( 0.000 -8.337 0.000) 8.337 13.710 ( 0.000 8.337 0.000) 8.337 14.186 ( 0.000 -1.735 0.000) 1.735 14.186 ( 0.000 1.735 0.000) 1.735 14.885 ( 0.000 -4.895 0.000) 4.895 14.885 ( 0.000 4.895 0.000) 4.895 16.065 ( 0.000 -0.483 0.000) 0.483 16.065 ( 0.000 0.483 0.000) 0.483 16.346 ( 0.000 -4.388 0.000) 4.388 16.346 ( 0.000 4.388 0.000) 4.388 17.280 ( 0.000 -0.437 0.000) 0.437 17.280 ( 0.000 0.437 0.000) 0.437 17.919 ( 0.000 -9.492 0.000) 9.492 17.919 ( 0.000 9.492 0.000) 9.492 18.523 ( 0.000 -2.175 0.000) 2.175 18.523 ( 0.000 2.175 0.000) 2.175 18.594 ( 0.000 -0.276 0.000) 0.276 18.594 ( 0.000 0.276 0.000) 0.276 19.936 ( 0.000 -2.595 0.000) 2.595 19.936 ( 0.000 2.595 0.000) 2.595 20.260 ( 0.000 -7.095 0.000) 7.095 20.260 ( 0.000 7.095 0.000) 7.095 ======================= Grid point 30 (18/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 4.456 -13.298 1.415) 14.096 2.291 ( 4.456 13.298 1.415) 14.096 2.949 ( 0.478 -13.036 2.766) 13.335 2.949 ( 0.478 13.036 2.766) 13.335 3.474 ( -3.151 -6.553 0.744) 7.309 3.474 ( -3.151 6.553 0.744) 7.309 3.617 ( 2.217 -3.975 -3.854) 5.964 3.617 ( 2.217 3.975 -3.854) 5.964 3.791 ( -1.735 -5.368 -0.984) 5.727 3.791 ( -1.735 5.368 -0.984) 5.727 4.193 ( 3.493 -3.770 -1.090) 5.254 4.193 ( 3.493 3.770 -1.090) 5.254 4.431 ( 1.355 -6.159 -3.961) 7.448 4.431 ( 1.355 6.159 -3.961) 7.448 4.555 ( 0.608 -3.027 3.917) 4.987 4.555 ( 0.608 3.027 3.917) 4.987 4.790 ( -6.644 -1.806 2.507) 7.328 4.790 ( -6.644 1.806 2.507) 7.328 4.866 ( -0.910 -6.288 5.055) 8.119 4.866 ( -0.910 6.288 5.055) 8.119 5.070 ( 4.437 -5.303 -0.951) 6.980 5.070 ( 4.437 5.303 -0.951) 6.980 5.208 ( 2.751 -2.351 -0.510) 3.655 5.208 ( 2.751 2.351 -0.510) 3.655 5.404 ( 4.321 -5.992 -1.436) 7.526 5.404 ( 4.321 5.992 -1.436) 7.526 5.693 ( 1.217 -13.640 5.545) 14.774 5.693 ( 1.217 13.640 5.545) 14.774 5.817 ( 3.167 -2.879 -2.843) 5.138 5.817 ( 3.167 2.879 -2.843) 5.138 5.966 ( -4.108 -6.909 0.864) 8.085 5.966 ( -4.108 6.909 0.864) 8.085 6.148 ( -4.462 -3.967 -5.725) 8.272 6.148 ( -4.462 3.967 -5.725) 8.272 6.418 ( -0.117 -12.059 -1.850) 12.201 6.418 ( -0.117 12.059 -1.850) 12.201 6.571 ( 0.470 -6.383 -3.331) 7.215 6.571 ( 0.470 6.383 -3.331) 7.215 6.903 ( -5.220 -7.984 4.475) 10.537 6.903 ( -5.220 7.984 4.475) 10.537 6.985 ( 4.872 -6.170 5.184) 9.417 6.985 ( 4.872 6.170 5.184) 9.417 7.199 ( -4.956 -5.276 3.766) 8.159 7.199 ( -4.956 5.276 3.766) 8.159 7.358 ( -2.472 -1.074 -1.830) 3.258 7.358 ( -2.472 1.074 -1.830) 3.258 7.511 ( 2.131 -7.185 1.609) 7.665 7.511 ( 2.131 7.185 1.609) 7.665 7.827 ( 2.895 -6.342 -3.713) 7.898 7.827 ( 2.895 6.342 -3.713) 7.898 8.022 ( -2.029 -0.324 -4.211) 4.686 8.022 ( -2.029 0.324 -4.211) 4.686 8.170 ( 4.929 -8.179 -0.560) 9.566 8.170 ( 4.929 8.179 -0.560) 9.566 8.453 ( -5.957 -0.861 -4.948) 7.792 8.453 ( -5.957 0.861 -4.948) 7.792 8.714 ( -3.766 -6.328 -4.073) 8.415 8.714 ( -3.766 6.328 -4.073) 8.415 8.961 ( -0.903 -2.290 -2.947) 3.840 8.961 ( -0.903 2.290 -2.947) 3.840 9.069 ( -1.197 -3.500 2.578) 4.509 9.069 ( -1.197 3.500 2.578) 4.509 9.303 ( -1.871 -3.973 1.610) 4.677 9.303 ( -1.871 3.973 1.610) 4.677 9.429 ( 2.015 -3.976 5.268) 6.901 9.429 ( 2.015 3.976 5.268) 6.901 9.722 ( 4.536 -2.368 1.589) 5.358 9.722 ( 4.536 2.368 1.589) 5.358 10.201 ( 1.633 -0.095 0.009) 1.636 10.201 ( 1.633 0.095 0.009) 1.636 10.414 ( 0.954 -1.194 -0.351) 1.568 10.414 ( 0.954 1.194 -0.351) 1.568 10.559 ( 4.650 -4.306 1.182) 6.447 10.559 ( 4.650 4.306 1.182) 6.447 11.120 ( 1.747 -5.197 -2.715) 6.118 11.120 ( 1.747 5.197 -2.715) 6.118 11.683 ( 2.062 -2.411 1.662) 3.582 11.683 ( 2.062 2.411 1.662) 3.582 12.034 ( -5.680 -5.673 4.666) 9.285 12.034 ( -5.680 5.673 4.666) 9.285 12.235 ( 1.368 -4.501 -4.208) 6.312 12.235 ( 1.368 4.501 -4.208) 6.312 12.996 ( -1.251 -1.917 -2.826) 3.637 12.996 ( -1.251 1.917 -2.826) 3.637 13.509 ( -2.454 -5.707 0.644) 6.246 13.509 ( -2.454 5.707 0.644) 6.246 13.720 ( -0.669 -4.852 3.935) 6.283 13.720 ( -0.669 4.852 3.935) 6.283 14.258 ( 4.866 -2.754 3.977) 6.861 14.258 ( 4.866 2.754 3.977) 6.861 14.784 ( -6.788 -2.740 -6.406) 9.727 14.784 ( -6.788 2.740 -6.406) 9.727 16.121 ( 3.400 -4.389 3.354) 6.486 16.121 ( 3.400 4.389 3.354) 6.486 16.337 ( 0.279 -4.959 -1.891) 5.314 16.337 ( 0.279 4.959 -1.891) 5.314 17.298 ( 1.670 -1.178 0.410) 2.085 17.298 ( 1.670 1.178 0.410) 2.085 17.841 ( -7.914 -8.699 0.721) 11.782 17.841 ( -7.914 8.699 0.721) 11.782 18.533 ( 1.826 -2.542 -2.109) 3.774 18.533 ( 1.826 2.542 -2.109) 3.774 18.625 ( 2.126 -1.934 1.148) 3.095 18.625 ( 2.126 1.934 1.148) 3.095 19.899 ( -3.602 -2.710 0.499) 4.535 19.899 ( -3.602 2.710 0.499) 4.535 20.286 ( 2.565 -5.807 -0.759) 6.393 20.286 ( 2.565 5.807 -0.759) 6.393 ======================= Grid point 32 (19/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 2.832 -7.545 0.053) 8.059 2.378 ( 2.832 7.545 0.053) 8.059 2.958 ( -0.548 -9.258 2.227) 9.538 2.958 ( -0.548 9.258 2.227) 9.538 3.429 ( -0.683 -4.504 -1.951) 4.956 3.429 ( -0.683 4.504 -1.951) 4.956 3.609 ( -2.606 -7.200 2.877) 8.179 3.609 ( -2.606 7.200 2.877) 8.179 3.821 ( 4.825 -2.450 -3.937) 6.692 3.821 ( 4.825 2.450 -3.937) 6.692 4.167 ( -1.835 -5.440 -1.841) 6.029 4.167 ( -1.835 5.440 -1.841) 6.029 4.531 ( 2.760 -6.489 9.546) 11.868 4.531 ( 2.760 6.489 9.546) 11.868 4.591 ( 3.881 -5.461 -2.575) 7.177 4.591 ( 3.881 5.461 -2.575) 7.177 4.716 ( 1.308 -7.639 -2.386) 8.109 4.716 ( 1.308 7.639 -2.386) 8.109 4.935 ( 3.259 -7.673 3.096) 8.893 4.935 ( 3.259 7.673 3.096) 8.893 5.101 ( -2.601 -2.835 3.744) 5.369 5.101 ( -2.601 2.835 3.744) 5.369 5.272 ( 0.816 -5.361 -0.008) 5.422 5.272 ( 0.816 5.361 -0.008) 5.422 5.383 ( -3.052 -2.273 -3.225) 4.988 5.383 ( -3.052 2.273 -3.225) 4.988 5.629 ( -4.099 -7.446 -6.695) 10.820 5.629 ( -4.099 7.446 -6.695) 10.820 5.788 ( -4.646 -6.268 0.682) 7.832 5.788 ( -4.646 6.268 0.682) 7.832 6.043 ( 8.398 -7.766 3.389) 11.930 6.043 ( 8.398 7.766 3.389) 11.930 6.134 ( 4.523 -2.530 0.025) 5.182 6.134 ( 4.523 2.530 0.025) 5.182 6.428 ( 2.203 -11.409 -1.283) 11.690 6.428 ( 2.203 11.409 -1.283) 11.690 6.510 ( -3.112 -8.306 -2.954) 9.348 6.510 ( -3.112 8.306 -2.954) 9.348 6.834 ( -5.395 -9.218 3.819) 11.343 6.834 ( -5.395 9.218 3.819) 11.343 7.012 ( -4.912 -2.725 2.031) 5.973 7.012 ( -4.912 2.725 2.031) 5.973 7.234 ( 0.853 -5.165 -1.343) 5.405 7.234 ( 0.853 5.165 -1.343) 5.405 7.282 ( -1.027 -2.732 6.733) 7.338 7.282 ( -1.028 2.732 6.733) 7.338 7.578 ( 2.206 -8.668 1.698) 9.104 7.578 ( 2.206 8.668 1.698) 9.104 7.802 ( -0.189 -2.371 -8.105) 8.447 7.802 ( -0.189 2.371 -8.105) 8.447 8.000 ( 2.063 -1.465 -2.836) 3.801 8.000 ( 2.063 1.465 -2.836) 3.801 8.148 ( -3.769 -11.290 -5.338) 13.045 8.148 ( -3.769 11.290 -5.338) 13.045 8.368 ( 1.734 -5.044 1.617) 5.574 8.368 ( 1.734 5.044 1.617) 5.574 8.587 ( -5.717 -5.119 -4.904) 9.107 8.587 ( -5.717 5.119 -4.904) 9.107 8.944 ( -0.738 -1.576 -0.047) 1.741 8.944 ( -0.738 1.576 -0.047) 1.741 9.057 ( -2.013 -2.352 1.404) 3.400 9.057 ( -2.013 2.352 1.404) 3.400 9.267 ( -0.496 -5.594 0.370) 5.628 9.267 ( -0.496 5.594 0.370) 5.628 9.527 ( 1.485 -3.555 5.149) 6.431 9.527 ( 1.485 3.555 5.149) 6.431 9.829 ( 5.541 -3.031 0.134) 6.317 9.829 ( 5.541 3.031 0.134) 6.317 10.261 ( 3.711 -2.097 0.726) 4.323 10.261 ( 3.711 2.097 0.726) 4.323 10.432 ( 0.941 -1.982 0.045) 2.194 10.432 ( 0.941 1.982 0.045) 2.194 10.634 ( 2.475 -2.209 0.485) 3.353 10.634 ( 2.475 2.209 0.485) 3.353 11.132 ( 1.263 -6.115 -1.390) 6.396 11.132 ( 1.263 6.115 -1.390) 6.396 11.718 ( 0.446 -2.181 -0.328) 2.250 11.718 ( 0.446 2.181 -0.328) 2.250 11.979 ( -4.111 -2.584 4.785) 6.818 11.979 ( -4.111 2.584 4.786) 6.818 12.209 ( 0.298 -3.581 -4.528) 5.781 12.209 ( 0.298 3.581 -4.528) 5.781 12.950 ( -1.100 -1.064 -1.741) 2.318 12.950 ( -1.100 1.064 -1.741) 2.318 13.476 ( -2.087 -2.323 1.272) 3.372 13.476 ( -2.087 2.323 1.272) 3.372 13.769 ( 1.523 -5.823 4.961) 7.800 13.769 ( 1.523 5.823 4.961) 7.800 14.379 ( 3.472 -1.889 2.669) 4.769 14.379 ( 3.472 1.889 2.669) 4.769 14.584 ( -6.823 -2.120 -6.266) 9.503 14.584 ( -6.823 2.120 -6.266) 9.503 16.194 ( 1.140 -4.480 1.515) 4.865 16.194 ( 1.140 4.480 1.515) 4.865 16.344 ( 2.079 -6.558 -0.574) 6.904 16.344 ( 2.079 6.558 -0.574) 6.904 17.343 ( 2.694 -2.787 0.383) 3.895 17.343 ( 2.694 2.787 0.383) 3.895 17.692 ( -7.869 -7.553 0.523) 10.920 17.692 ( -7.869 7.553 0.523) 10.920 18.548 ( 1.648 -2.906 -1.648) 3.725 18.548 ( 1.648 2.906 -1.648) 3.726 18.665 ( 0.946 -1.688 0.869) 2.121 18.665 ( 0.946 1.688 0.869) 2.121 19.841 ( -2.614 -1.898 0.264) 3.241 19.841 ( -2.614 1.898 0.264) 3.241 20.321 ( 1.708 -3.231 -0.587) 3.702 20.321 ( 1.708 3.231 -0.587) 3.702 ======================= Grid point 34 (20/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 -1.641 0.000) 1.641 2.393 ( 0.000 1.641 0.000) 1.641 2.978 ( 0.000 -1.185 0.000) 1.185 2.978 ( 0.000 1.185 0.000) 1.185 3.417 ( 0.000 -0.166 0.000) 0.166 3.417 ( 0.000 0.166 0.000) 0.166 3.583 ( 0.000 -7.214 -0.000) 7.214 3.583 ( 0.000 7.214 0.000) 7.214 3.842 ( 0.000 -2.928 0.000) 2.928 3.842 ( 0.000 2.928 0.000) 2.928 4.156 ( 0.000 -3.327 0.000) 3.327 4.156 ( 0.000 3.327 0.000) 3.327 4.572 ( 0.000 -7.501 0.000) 7.501 4.572 ( 0.000 7.501 0.000) 7.501 4.608 ( 0.000 -2.987 0.000) 2.987 4.608 ( 0.000 2.987 0.000) 2.987 4.881 ( -0.000 -0.715 0.000) 0.715 4.881 ( -0.000 0.715 0.000) 0.715 4.937 ( 0.000 -16.280 0.000) 16.280 4.937 ( 0.000 16.280 0.000) 16.280 5.030 ( -0.000 -11.573 -0.000) 11.573 5.030 ( 0.000 11.573 -0.000) 11.573 5.250 ( -0.000 -6.410 0.000) 6.410 5.250 ( -0.000 6.410 0.000) 6.410 5.334 ( 0.000 -3.080 0.000) 3.080 5.334 ( 0.000 3.080 0.000) 3.080 5.575 ( 0.000 -1.211 0.000) 1.211 5.575 ( 0.000 1.211 0.000) 1.211 5.731 ( 0.000 -5.030 0.000) 5.030 5.731 ( 0.000 5.030 -0.000) 5.030 6.163 ( 0.000 -5.455 -0.000) 5.455 6.163 ( 0.000 5.455 -0.000) 5.455 6.192 ( -0.000 -2.034 0.000) 2.034 6.192 ( -0.000 2.034 0.000) 2.034 6.451 ( -0.000 -15.089 0.000) 15.089 6.451 ( -0.000 15.089 -0.000) 15.089 6.456 ( 0.000 -4.420 0.000) 4.420 6.456 ( -0.000 4.420 -0.000) 4.420 6.786 ( 0.000 -10.019 -0.000) 10.019 6.786 ( 0.000 10.019 -0.000) 10.019 6.987 ( 0.000 -0.968 0.000) 0.968 6.987 ( 0.000 0.968 0.000) 0.968 7.157 ( -0.000 -0.496 -0.000) 0.496 7.157 ( 0.000 0.496 0.000) 0.496 7.394 ( 0.000 -2.414 0.000) 2.414 7.394 ( 0.000 2.414 0.000) 2.414 7.586 ( 0.000 -6.659 0.000) 6.659 7.586 ( 0.000 6.659 0.000) 6.659 7.755 ( 0.000 -8.941 0.000) 8.941 7.755 ( 0.000 8.941 0.000) 8.941 7.954 ( 0.000 -5.998 0.000) 5.998 7.954 ( 0.000 5.998 0.000) 5.998 8.138 ( 0.000 -10.767 -0.000) 10.767 8.138 ( 0.000 10.767 0.000) 10.767 8.412 ( -0.000 -4.735 -0.000) 4.735 8.412 ( 0.000 4.735 -0.000) 4.735 8.485 ( 0.000 -11.207 0.000) 11.207 8.485 ( 0.000 11.207 0.000) 11.207 8.925 ( -0.000 -4.983 0.000) 4.983 8.925 ( 0.000 4.983 0.000) 4.983 9.048 ( 0.000 -4.260 0.000) 4.260 9.048 ( 0.000 4.260 0.000) 4.260 9.272 ( 0.000 -6.312 0.000) 6.312 9.272 ( 0.000 6.312 0.000) 6.312 9.565 ( -0.000 -2.452 0.000) 2.452 9.565 ( 0.000 2.452 0.000) 2.452 9.886 ( 0.000 -3.530 0.000) 3.530 9.886 ( 0.000 3.530 -0.000) 3.530 10.308 ( 0.000 -2.032 0.000) 2.032 10.308 ( 0.000 2.032 0.000) 2.032 10.441 ( 0.000 -1.408 0.000) 1.408 10.441 ( 0.000 1.408 0.000) 1.408 10.658 ( 0.000 -2.132 0.000) 2.132 10.658 ( 0.000 2.132 0.000) 2.132 11.135 ( 0.000 -6.746 0.000) 6.746 11.135 ( 0.000 6.746 0.000) 6.746 11.712 ( 0.000 -3.001 0.000) 3.001 11.712 ( 0.000 3.001 0.000) 3.001 11.970 ( 0.000 -0.827 -0.000) 0.827 11.970 ( 0.000 0.827 -0.000) 0.827 12.186 ( 0.000 -3.076 0.000) 3.076 12.186 ( 0.000 3.076 0.000) 3.076 12.932 ( 0.000 -2.063 0.000) 2.063 12.932 ( 0.000 2.063 0.000) 2.063 13.462 ( 0.000 -1.765 0.000) 1.765 13.462 ( 0.000 1.765 0.000) 1.765 13.821 ( 0.000 -8.595 0.000) 8.595 13.821 ( 0.000 8.595 0.000) 8.595 14.396 ( 0.000 -1.918 0.000) 1.918 14.396 ( 0.000 1.918 -0.000) 1.918 14.506 ( 0.000 -4.455 0.000) 4.455 14.506 ( 0.000 4.455 0.000) 4.455 16.204 ( 0.000 -3.963 0.000) 3.963 16.204 ( 0.000 3.963 0.000) 3.963 16.370 ( 0.000 -8.236 0.000) 8.236 16.370 ( 0.000 8.236 0.000) 8.236 17.379 ( 0.000 -3.648 0.000) 3.648 17.379 ( 0.000 3.648 0.000) 3.648 17.610 ( 0.000 -6.518 0.000) 6.518 17.610 ( 0.000 6.518 0.000) 6.518 18.557 ( 0.000 -3.284 0.000) 3.284 18.557 ( 0.000 3.284 0.000) 3.284 18.676 ( 0.000 -1.979 -0.000) 1.979 18.676 ( 0.000 1.979 0.000) 1.979 19.818 ( 0.000 -0.009 0.000) 0.009 19.818 ( 0.000 0.009 0.000) 0.009 20.334 ( 0.000 -0.924 0.000) 0.924 20.334 ( 0.000 0.924 -0.000) 0.924 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 11.663 0.000 33.863) 35.815 0.886 ( -0.574 0.000 43.038) 43.042 1.358 ( 5.735 0.000 65.503) 65.753 2.536 ( -9.619 0.000 -22.457) 24.430 2.987 ( 0.720 0.000 4.600) 4.656 3.129 ( -1.228 0.000 -27.649) 27.676 3.310 ( 10.621 0.000 -1.066) 10.675 3.427 ( 4.472 0.000 6.406) 7.812 3.663 ( 3.338 0.000 0.955) 3.472 3.804 ( 2.183 0.000 2.567) 3.370 3.922 ( -4.822 0.000 -7.417) 8.846 4.093 ( 4.150 0.000 -13.679) 14.295 4.154 ( -9.317 0.000 0.401) 9.326 4.194 ( 2.640 0.000 4.219) 4.977 4.309 ( -4.405 0.000 3.016) 5.338 4.338 ( -10.439 0.000 -5.446) 11.774 4.494 ( -5.498 0.000 3.895) 6.738 4.700 ( 8.943 0.000 -3.683) 9.672 4.869 ( 4.633 0.000 -1.305) 4.814 5.000 ( -4.865 0.000 -10.250) 11.346 5.074 ( -15.657 0.000 3.154) 15.972 5.118 ( 1.097 0.000 -2.202) 2.460 5.194 ( 9.311 0.000 -5.009) 10.573 5.195 ( 0.327 0.000 0.393) 0.511 5.297 ( -7.647 0.000 5.056) 9.167 5.508 ( 2.254 0.000 12.472) 12.674 5.670 ( 11.059 0.000 13.624) 17.548 5.708 ( -1.159 0.000 -7.267) 7.359 6.011 ( 1.401 0.000 -4.205) 4.432 6.065 ( -9.959 0.000 -1.948) 10.148 6.093 ( -1.861 0.000 8.930) 9.122 6.212 ( 10.174 0.000 -1.045) 10.228 6.241 ( -7.432 0.000 2.011) 7.699 6.392 ( 2.961 0.000 -5.731) 6.451 6.404 ( -6.257 0.000 -5.885) 8.589 6.598 ( 0.859 0.000 -2.271) 2.428 6.746 ( -2.886 0.000 -1.590) 3.295 6.882 ( 2.950 0.000 -4.252) 5.175 6.921 ( -0.449 0.000 -3.883) 3.909 7.026 ( 8.763 0.000 6.766) 11.071 7.049 ( -2.732 0.000 -3.652) 4.561 7.151 ( 6.266 0.000 5.418) 8.284 7.242 ( -3.731 0.000 -6.870) 7.818 7.310 ( -5.287 0.000 8.503) 10.012 7.337 ( -1.273 0.000 -1.292) 1.814 7.517 ( 2.313 0.000 -2.464) 3.380 7.777 ( -6.315 0.000 5.747) 8.539 7.821 ( -3.336 0.000 0.249) 3.345 7.871 ( -0.373 0.000 3.328) 3.349 7.911 ( -4.003 0.000 -4.402) 5.950 7.961 ( 4.262 0.000 5.358) 6.846 8.036 ( 1.300 0.000 3.442) 3.679 8.094 ( -1.333 0.000 3.444) 3.693 8.228 ( -0.772 0.000 -7.973) 8.011 8.403 ( 9.430 0.000 -0.940) 9.477 8.468 ( 0.126 0.000 4.662) 4.664 8.593 ( 1.004 0.000 -2.209) 2.427 8.821 ( -5.045 0.000 -2.033) 5.440 8.993 ( 1.765 0.000 0.869) 1.968 9.045 ( -4.051 0.000 -1.286) 4.250 9.087 ( 0.129 0.000 6.097) 6.098 9.260 ( -31.808 0.000 -6.019) 32.373 9.310 ( 5.331 0.000 -4.462) 6.952 9.448 ( -5.732 0.000 0.673) 5.772 9.472 ( 6.268 0.000 -3.258) 7.064 9.553 ( -0.486 0.000 1.218) 1.311 9.811 ( 0.534 0.000 1.836) 1.912 9.940 ( 3.463 0.000 -1.955) 3.977 10.099 ( -2.897 0.000 2.101) 3.578 10.264 ( 0.017 0.000 -1.624) 1.624 10.288 ( -3.614 0.000 9.251) 9.932 10.366 ( 13.274 0.000 1.758) 13.390 10.522 ( -3.547 0.000 -0.781) 3.632 10.945 ( 2.905 0.000 -2.943) 4.135 11.163 ( 1.304 0.000 0.312) 1.341 11.201 ( 13.416 0.000 -2.280) 13.608 11.482 ( -3.027 0.000 2.150) 3.713 11.684 ( 11.339 0.000 -6.310) 12.976 11.887 ( -0.590 0.000 2.582) 2.649 12.144 ( -3.802 0.000 8.141) 8.985 12.273 ( 10.683 0.000 -5.787) 12.150 12.584 ( -14.554 0.000 4.028) 15.101 12.591 ( -0.358 0.000 -1.611) 1.650 13.054 ( -4.913 0.000 -13.654) 14.511 13.442 ( 0.667 0.000 1.845) 1.962 13.497 ( 0.239 0.000 -0.740) 0.778 13.618 ( 9.782 0.000 6.351) 11.663 13.953 ( -9.837 0.000 -4.925) 11.001 14.182 ( 2.508 0.000 6.937) 7.376 14.546 ( -3.705 0.000 -1.621) 4.044 14.720 ( 9.378 0.000 5.678) 10.963 15.117 ( -18.921 0.000 -2.075) 19.035 15.993 ( -1.956 0.000 1.149) 2.269 16.221 ( 4.510 0.000 -5.112) 6.817 16.358 ( -4.629 0.000 1.046) 4.745 16.534 ( 17.567 0.000 -3.259) 17.866 16.912 ( -5.843 0.000 2.692) 6.433 17.117 ( 3.742 0.000 -1.936) 4.213 17.392 ( 79.767 0.000 4.203) 79.878 17.575 ( -8.472 0.000 -0.896) 8.519 18.483 ( -0.726 0.000 -0.697) 1.006 18.635 ( 2.247 0.000 -5.253) 5.714 19.008 ( 2.658 0.000 4.125) 4.907 19.165 ( -39.548 0.000 -0.652) 39.553 19.717 ( -0.555 0.000 0.916) 1.071 19.795 ( 0.341 0.000 -0.736) 0.811 20.099 ( -18.502 0.000 2.155) 18.627 20.184 ( 0.290 0.000 0.069) 0.299 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 10.603 0.000 35.143) 36.708 1.393 ( 29.014 0.000 28.714) 40.821 2.233 ( 2.224 0.000 -24.797) 24.897 2.408 ( 38.848 0.000 52.526) 65.331 2.877 ( 2.194 0.000 -29.259) 29.341 2.968 ( -5.680 0.000 0.549) 5.706 3.414 ( -2.022 0.000 2.610) 3.302 3.603 ( -9.786 0.000 -0.572) 9.803 3.604 ( -23.354 0.000 -0.078) 23.354 3.712 ( 3.769 0.000 0.859) 3.866 3.759 ( -7.859 0.000 -4.403) 9.009 3.792 ( -0.089 0.000 -4.764) 4.765 3.911 ( -1.726 0.000 -15.688) 15.783 4.212 ( 1.847 0.000 -10.124) 10.291 4.254 ( 3.627 0.000 8.684) 9.411 4.464 ( 8.901 0.000 1.364) 9.005 4.531 ( -1.309 0.000 5.550) 5.702 4.808 ( -1.037 0.000 -4.315) 4.438 4.809 ( -3.987 0.000 2.550) 4.733 4.879 ( 5.160 0.000 -0.481) 5.182 5.088 ( 2.871 0.000 2.991) 4.146 5.115 ( 9.363 0.000 -10.166) 13.821 5.240 ( -2.619 0.000 2.564) 3.666 5.287 ( 2.553 0.000 0.199) 2.560 5.323 ( 0.527 0.000 -2.822) 2.870 5.593 ( -7.214 0.000 -9.248) 11.729 5.645 ( -3.833 0.000 10.316) 11.005 5.785 ( -5.812 0.000 -3.953) 7.029 5.964 ( 5.252 0.000 1.067) 5.359 6.016 ( 10.099 0.000 6.516) 12.019 6.083 ( -9.745 0.000 -0.451) 9.755 6.114 ( -6.075 0.000 -8.318) 10.300 6.314 ( 6.370 0.000 9.238) 11.222 6.400 ( -6.116 0.000 -2.789) 6.722 6.467 ( 7.308 0.000 2.886) 7.858 6.630 ( -2.624 0.000 -3.747) 4.574 6.647 ( 6.370 0.000 3.074) 7.073 6.818 ( -6.153 0.000 -0.976) 6.230 6.874 ( -2.142 0.000 -3.236) 3.881 6.916 ( 0.534 0.000 -8.272) 8.289 7.138 ( -0.540 0.000 -3.883) 3.920 7.194 ( -3.924 0.000 3.859) 5.503 7.246 ( -6.420 0.000 -3.217) 7.181 7.258 ( 6.949 0.000 9.450) 11.730 7.406 ( 1.537 0.000 15.576) 15.652 7.612 ( 6.017 0.000 3.036) 6.740 7.642 ( -8.004 0.000 -0.994) 8.065 7.721 ( -2.986 0.000 -2.739) 4.052 7.774 ( -5.234 0.000 -3.051) 6.058 7.808 ( -9.397 0.000 -3.041) 9.876 7.952 ( 3.773 0.000 4.151) 5.609 8.050 ( -1.594 0.000 -5.585) 5.808 8.290 ( 7.307 0.000 2.920) 7.869 8.292 ( 8.548 0.000 1.254) 8.640 8.454 ( -8.982 0.000 -7.688) 11.823 8.475 ( 2.961 0.000 9.045) 9.517 8.587 ( 1.491 0.000 1.178) 1.900 8.763 ( 0.016 0.000 -1.442) 1.442 8.899 ( -11.855 0.000 -1.563) 11.957 9.003 ( -1.564 0.000 0.375) 1.609 9.028 ( 2.572 0.000 -1.588) 3.023 9.130 ( 1.189 0.000 4.334) 4.494 9.317 ( -3.714 0.000 1.912) 4.177 9.468 ( -2.364 0.000 -2.906) 3.746 9.472 ( 9.104 0.000 -4.012) 9.949 9.614 ( 4.102 0.000 3.293) 5.260 9.852 ( 1.101 0.000 0.258) 1.131 9.943 ( -1.393 0.000 -2.823) 3.148 10.105 ( 0.123 0.000 4.370) 4.371 10.276 ( 2.455 0.000 -1.449) 2.851 10.349 ( 2.473 0.000 8.789) 9.130 10.396 ( -6.815 0.000 -3.859) 7.832 10.484 ( 1.558 0.000 1.172) 1.949 10.937 ( 1.556 0.000 -1.918) 2.469 11.085 ( -9.375 0.000 0.929) 9.421 11.384 ( 10.675 0.000 -13.667) 17.342 11.524 ( 4.931 0.000 0.499) 4.956 11.814 ( 7.053 0.000 -8.901) 11.357 11.870 ( -3.385 0.000 0.733) 3.463 12.140 ( -0.379 0.000 3.189) 3.211 12.382 ( -2.531 0.000 10.144) 10.455 12.588 ( 3.158 0.000 -3.575) 4.770 12.658 ( 19.856 0.000 -3.612) 20.182 12.952 ( 2.727 0.000 -6.389) 6.946 13.455 ( 0.735 0.000 0.555) 0.921 13.496 ( 0.007 0.000 -0.112) 0.113 13.730 ( -8.439 0.000 -6.182) 10.461 13.915 ( 14.816 0.000 6.792) 16.299 14.244 ( -1.909 0.000 5.953) 6.252 14.441 ( -5.592 0.000 -1.761) 5.862 14.739 ( -20.560 0.000 5.580) 21.303 14.911 ( 2.682 0.000 7.987) 8.425 15.931 ( -5.228 0.000 0.335) 5.239 16.232 ( -7.503 0.000 -2.235) 7.829 16.240 ( 2.510 0.000 -4.031) 4.749 16.633 ( 3.778 0.000 -3.300) 5.017 16.852 ( -2.034 0.000 -0.015) 2.034 17.192 ( 5.366 0.000 0.160) 5.368 17.397 ( -5.968 0.000 -7.044) 9.233 18.207 ( -33.090 0.000 13.372) 35.690 18.346 ( 37.091 0.000 -24.447) 44.423 18.602 ( -0.185 0.000 -4.859) 4.862 18.746 ( -6.186 0.000 13.101) 14.488 19.104 ( 1.497 0.000 6.088) 6.269 19.731 ( 0.912 0.000 0.898) 1.280 19.804 ( 1.203 0.000 -0.564) 1.328 20.042 ( 1.807 0.000 2.938) 3.450 20.207 ( 1.518 0.000 0.919) 1.775 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 16.145 0.000 14.845) 21.933 2.187 ( 31.121 0.000 24.443) 39.572 2.244 ( 18.535 0.000 -10.240) 21.176 2.674 ( 5.602 0.000 -30.315) 30.828 2.794 ( -15.303 0.000 -7.818) 17.184 2.946 ( -37.185 0.000 -3.699) 37.368 3.176 ( -16.160 0.000 0.356) 16.164 3.319 ( -8.492 0.000 0.222) 8.494 3.508 ( 28.327 0.000 33.312) 43.728 3.757 ( 3.223 0.000 9.592) 10.119 3.846 ( 9.011 0.000 0.994) 9.066 3.864 ( 7.399 0.000 -7.661) 10.650 4.016 ( 11.353 0.000 3.578) 11.903 4.189 ( 5.503 0.000 -11.455) 12.708 4.310 ( -5.573 0.000 -1.635) 5.807 4.505 ( -3.594 0.000 1.210) 3.792 4.586 ( 3.345 0.000 0.098) 3.346 4.701 ( -1.283 0.000 -3.355) 3.592 4.805 ( -5.637 0.000 -2.415) 6.132 4.961 ( -6.778 0.000 -4.023) 7.882 5.024 ( -13.328 0.000 -9.165) 16.175 5.100 ( -7.652 0.000 1.093) 7.730 5.161 ( -3.773 0.000 8.367) 9.178 5.231 ( 1.340 0.000 2.749) 3.058 5.318 ( 11.076 0.000 -6.022) 12.607 5.382 ( 4.004 0.000 -1.716) 4.356 5.631 ( -5.860 0.000 5.283) 7.890 5.790 ( -1.410 0.000 -3.155) 3.456 5.878 ( -3.409 0.000 -9.778) 10.355 6.025 ( 3.404 0.000 4.058) 5.297 6.111 ( 0.712 0.000 -11.948) 11.969 6.213 ( 10.498 0.000 4.539) 11.437 6.324 ( 0.434 0.000 8.047) 8.059 6.417 ( -1.898 0.000 -0.738) 2.036 6.501 ( -2.086 0.000 8.156) 8.419 6.596 ( -5.744 0.000 -2.539) 6.280 6.730 ( -1.599 0.000 -0.936) 1.853 6.810 ( 8.886 0.000 -1.760) 9.059 6.861 ( 3.255 0.000 1.216) 3.475 6.923 ( -0.769 0.000 -4.731) 4.793 7.061 ( -8.019 0.000 5.344) 9.637 7.105 ( -9.518 0.000 1.624) 9.655 7.137 ( 7.194 0.000 -10.515) 12.741 7.325 ( -2.059 0.000 -0.126) 2.063 7.527 ( -2.627 0.000 8.635) 9.026 7.588 ( -4.176 0.000 -2.095) 4.672 7.657 ( -1.181 0.000 6.560) 6.665 7.718 ( 1.259 0.000 1.302) 1.811 7.748 ( 7.314 0.000 9.949) 12.348 7.854 ( 9.671 0.000 2.195) 9.917 7.890 ( -7.754 0.000 -9.266) 12.083 8.048 ( 1.607 0.000 5.749) 5.970 8.239 ( -3.826 0.000 -5.538) 6.731 8.382 ( -1.067 0.000 0.810) 1.340 8.383 ( 0.962 0.000 -1.589) 1.857 8.508 ( -0.837 0.000 -0.588) 1.023 8.645 ( -2.195 0.000 2.918) 3.651 8.686 ( -7.689 0.000 6.027) 9.769 8.828 ( 6.202 0.000 3.674) 7.209 8.952 ( -4.414 0.000 -0.167) 4.417 9.104 ( 4.803 0.000 -0.967) 4.899 9.185 ( 0.798 0.000 -0.510) 0.947 9.287 ( -0.698 0.000 3.494) 3.563 9.413 ( -0.380 0.000 -3.475) 3.495 9.606 ( 7.961 0.000 -2.767) 8.428 9.706 ( 1.958 0.000 3.661) 4.152 9.842 ( -0.835 0.000 -1.133) 1.407 9.877 ( -2.175 0.000 -1.687) 2.753 10.134 ( -4.027 0.000 3.063) 5.059 10.260 ( -1.520 0.000 -1.299) 1.999 10.300 ( 0.755 0.000 -0.222) 0.787 10.502 ( -0.383 0.000 1.444) 1.494 10.527 ( 8.088 0.000 5.983) 10.060 10.879 ( -12.751 0.000 -0.293) 12.754 11.001 ( 7.970 0.000 -3.073) 8.542 11.333 ( -2.156 0.000 -13.446) 13.618 11.632 ( 5.818 0.000 0.698) 5.860 11.793 ( -4.319 0.000 -0.030) 4.319 11.813 ( 2.936 0.000 -7.291) 7.860 12.189 ( 2.602 0.000 2.331) 3.494 12.486 ( 3.001 0.000 7.686) 8.251 12.645 ( 5.564 0.000 -3.032) 6.337 12.978 ( 15.878 0.000 -1.535) 15.952 12.981 ( 2.488 0.000 0.333) 2.510 13.482 ( -2.784 0.000 0.273) 2.797 13.496 ( 2.827 0.000 0.721) 2.917 13.579 ( -0.286 0.000 -5.566) 5.573 14.189 ( 5.266 0.000 0.757) 5.320 14.220 ( -6.224 0.000 4.143) 7.477 14.376 ( 5.154 0.000 -0.081) 5.155 14.464 ( -13.388 0.000 2.194) 13.567 14.864 ( -13.519 0.000 -0.618) 13.534 15.847 ( -3.155 0.000 1.103) 3.342 16.116 ( -2.177 0.000 -0.650) 2.272 16.241 ( 1.464 0.000 -3.850) 4.119 16.659 ( 2.516 0.000 -3.525) 4.331 16.826 ( 0.469 0.000 -3.615) 3.645 17.227 ( -0.447 0.000 -9.984) 9.994 17.344 ( 4.967 0.000 4.955) 7.016 17.804 ( -25.461 0.000 15.468) 29.791 18.556 ( 0.390 0.000 -5.233) 5.247 18.566 ( 11.965 0.000 -17.156) 20.916 18.845 ( 3.579 0.000 8.936) 9.626 19.146 ( -2.311 0.000 4.747) 5.279 19.762 ( 1.422 0.000 0.761) 1.612 19.822 ( 0.996 0.000 -0.213) 1.018 20.122 ( 3.794 0.000 2.537) 4.564 20.243 ( 0.767 0.000 1.724) 1.887 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -4.615 0.000 4.943) 6.763 2.182 ( -34.274 0.000 -12.478) 36.475 2.249 ( -14.826 0.000 -9.364) 17.535 2.596 ( 11.177 0.000 -18.965) 22.013 2.659 ( 24.927 0.000 2.980) 25.105 2.951 ( 29.060 0.000 19.140) 34.797 3.150 ( -15.168 0.000 2.792) 15.423 3.204 ( 8.874 0.000 7.626) 11.700 3.625 ( -32.741 0.000 3.433) 32.920 3.800 ( -6.892 0.000 1.664) 7.090 3.881 ( 5.572 0.000 -19.955) 20.719 3.910 ( 1.715 0.000 1.011) 1.991 3.997 ( -12.630 0.000 3.664) 13.151 4.210 ( 1.283 0.000 -2.714) 3.002 4.301 ( -2.220 0.000 -1.985) 2.978 4.483 ( -4.463 0.000 -1.092) 4.595 4.689 ( 0.608 0.000 -6.449) 6.478 4.698 ( 19.059 0.000 -0.034) 19.059 4.706 ( 7.659 0.000 8.033) 11.099 4.841 ( 11.825 0.000 -4.090) 12.513 4.990 ( -5.102 0.000 3.162) 6.002 5.098 ( 5.755 0.000 4.962) 7.599 5.178 ( -2.812 0.000 7.192) 7.722 5.323 ( 0.955 0.000 8.133) 8.189 5.463 ( 3.038 0.000 -2.758) 4.103 5.475 ( 5.847 0.000 4.106) 7.145 5.520 ( -1.262 0.000 -2.353) 2.670 5.754 ( -0.038 0.000 -3.365) 3.365 5.822 ( 2.113 0.000 -4.319) 4.809 5.891 ( -1.843 0.000 -5.631) 5.925 6.203 ( -2.766 0.000 -1.698) 3.246 6.323 ( -13.074 0.000 -0.117) 13.074 6.372 ( 2.399 0.000 2.778) 3.671 6.400 ( 8.388 0.000 4.130) 9.350 6.489 ( 5.926 0.000 0.856) 5.987 6.564 ( -0.187 0.000 1.968) 1.977 6.675 ( -2.684 0.000 1.135) 2.914 6.705 ( -7.590 0.000 -6.624) 10.074 6.874 ( -5.571 0.000 -10.646) 12.016 6.966 ( 6.775 0.000 -1.567) 6.954 7.016 ( -3.710 0.000 3.248) 4.931 7.031 ( 1.553 0.000 8.125) 8.272 7.199 ( 7.883 0.000 -11.406) 13.865 7.317 ( 0.473 0.000 -0.268) 0.544 7.381 ( -12.867 0.000 -10.177) 16.406 7.608 ( 1.378 0.000 10.752) 10.840 7.625 ( 0.646 0.000 3.529) 3.587 7.759 ( 1.374 0.000 1.125) 1.776 7.784 ( -5.616 0.000 13.077) 14.232 7.885 ( -6.093 0.000 -6.474) 8.890 8.084 ( 13.234 0.000 9.450) 16.262 8.100 ( -0.255 0.000 1.629) 1.648 8.188 ( 0.453 0.000 -2.320) 2.363 8.326 ( -1.018 0.000 -0.238) 1.045 8.408 ( 4.219 0.000 4.149) 5.917 8.505 ( -5.083 0.000 -1.989) 5.459 8.682 ( 4.326 0.000 8.426) 9.472 8.691 ( 0.593 0.000 9.951) 9.969 8.833 ( -6.529 0.000 -3.294) 7.313 8.962 ( 1.984 0.000 5.152) 5.521 9.143 ( 0.286 0.000 -0.995) 1.035 9.168 ( 0.139 0.000 -1.674) 1.679 9.299 ( -3.491 0.000 1.916) 3.982 9.386 ( 1.598 0.000 -5.084) 5.329 9.685 ( 3.560 0.000 -3.111) 4.727 9.720 ( -3.162 0.000 2.121) 3.807 9.852 ( 2.132 0.000 0.982) 2.348 9.873 ( 1.435 0.000 0.991) 1.744 10.049 ( -2.315 0.000 0.735) 2.429 10.313 ( 0.431 0.000 1.226) 1.299 10.313 ( 2.613 0.000 4.481) 5.187 10.492 ( -1.464 0.000 -0.245) 1.484 10.595 ( -9.949 0.000 -2.616) 10.287 10.763 ( 5.524 0.000 5.029) 7.470 11.098 ( -2.801 0.000 -6.594) 7.164 11.183 ( 9.483 0.000 -12.009) 15.302 11.700 ( -0.140 0.000 -1.206) 1.214 11.772 ( 1.318 0.000 4.786) 4.964 11.792 ( 1.795 0.000 -7.901) 8.103 12.263 ( 2.851 0.000 2.503) 3.794 12.554 ( -2.318 0.000 4.469) 5.034 12.693 ( 1.618 0.000 -2.341) 2.846 13.053 ( 3.002 0.000 5.347) 6.132 13.184 ( 4.926 0.000 5.988) 7.754 13.420 ( -1.570 0.000 -2.805) 3.214 13.532 ( -0.637 0.000 0.555) 0.845 13.628 ( 7.968 0.000 -1.440) 8.097 14.051 ( -12.538 0.000 -2.647) 12.814 14.178 ( 0.782 0.000 -2.431) 2.554 14.330 ( -3.895 0.000 1.876) 4.323 14.428 ( -19.393 0.000 -11.068) 22.329 14.589 ( 8.697 0.000 -5.208) 10.137 15.846 ( 0.411 0.000 3.211) 3.237 16.156 ( 3.641 0.000 4.643) 5.901 16.226 ( 1.227 0.000 -4.685) 4.843 16.659 ( 2.793 0.000 -7.829) 8.313 16.786 ( -0.654 0.000 -5.312) 5.352 17.141 ( 0.660 0.000 -8.508) 8.534 17.509 ( 4.992 0.000 9.046) 10.332 17.524 ( -19.260 0.000 10.944) 22.152 18.528 ( 2.405 0.000 -6.297) 6.741 18.560 ( 2.659 0.000 -10.957) 11.275 19.009 ( 5.958 0.000 7.936) 9.923 19.112 ( -4.327 0.000 1.942) 4.743 19.785 ( 0.115 0.000 0.961) 0.967 19.831 ( 0.064 0.000 -0.094) 0.113 20.220 ( 3.352 0.000 4.839) 5.887 20.254 ( -1.244 0.000 1.393) 1.868 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -38.382 0.000 -7.668) 39.140 1.462 ( -39.986 0.000 -1.573) 40.017 2.340 ( -48.908 0.000 3.586) 49.040 2.603 ( 7.464 0.000 2.138) 7.765 2.712 ( 12.893 0.000 -6.944) 14.644 3.044 ( 15.457 0.000 -7.950) 17.381 3.338 ( -1.172 0.000 10.130) 10.197 3.369 ( 7.535 0.000 -3.978) 8.521 3.592 ( 10.484 0.000 7.916) 13.137 3.813 ( 3.114 0.000 -3.349) 4.573 3.813 ( 12.073 0.000 -0.488) 12.083 3.834 ( -5.052 0.000 -2.015) 5.439 4.001 ( -3.548 0.000 -1.890) 4.020 4.129 ( -7.114 0.000 0.199) 7.116 4.154 ( 2.484 0.000 7.078) 7.501 4.373 ( 5.024 0.000 -10.228) 11.395 4.713 ( -3.973 0.000 6.764) 7.845 4.775 ( -16.630 0.000 0.984) 16.660 4.865 ( 9.204 0.000 1.074) 9.266 5.008 ( 5.526 0.000 -4.355) 7.036 5.091 ( 9.369 0.000 9.607) 13.419 5.241 ( 6.955 0.000 -0.138) 6.956 5.250 ( 7.720 0.000 -0.297) 7.726 5.332 ( -4.515 0.000 -1.485) 4.752 5.457 ( -0.654 0.000 6.323) 6.357 5.491 ( -1.875 0.000 -4.266) 4.660 5.602 ( -7.011 0.000 -9.848) 12.089 5.761 ( 11.311 0.000 4.240) 12.080 5.838 ( 2.850 0.000 -7.439) 7.966 5.943 ( 2.065 0.000 4.332) 4.798 6.114 ( -1.379 0.000 4.105) 4.331 6.117 ( -7.761 0.000 3.450) 8.493 6.370 ( -6.099 0.000 2.436) 6.567 6.516 ( 1.112 0.000 -2.172) 2.440 6.625 ( 2.044 0.000 2.689) 3.378 6.635 ( 1.074 0.000 -0.019) 1.074 6.639 ( -1.216 0.000 -1.449) 1.892 6.647 ( 7.549 0.000 1.371) 7.673 6.693 ( 6.366 0.000 -7.290) 9.679 6.964 ( -1.014 0.000 -4.251) 4.370 7.056 ( -10.175 0.000 -6.675) 12.169 7.064 ( -0.473 0.000 -2.762) 2.802 7.122 ( 9.773 0.000 2.809) 10.168 7.254 ( 6.592 0.000 -4.918) 8.224 7.320 ( -2.898 0.000 5.730) 6.421 7.649 ( -5.666 0.000 -7.869) 9.697 7.747 ( 0.676 0.000 10.388) 10.410 7.768 ( 7.376 0.000 3.592) 8.205 7.800 ( -0.508 0.000 4.137) 4.168 7.820 ( -3.991 0.000 13.768) 14.334 8.021 ( -4.225 0.000 -10.028) 10.881 8.150 ( -1.882 0.000 -4.121) 4.530 8.289 ( -8.854 0.000 -2.037) 9.085 8.317 ( 4.179 0.000 8.988) 9.912 8.380 ( -4.794 0.000 2.447) 5.382 8.605 ( 6.110 0.000 0.331) 6.119 8.660 ( -3.828 0.000 5.195) 6.452 8.686 ( -1.604 0.000 0.311) 1.633 8.935 ( 1.823 0.000 6.712) 6.955 8.996 ( -0.630 0.000 2.337) 2.421 9.130 ( -6.600 0.000 -0.716) 6.639 9.219 ( 11.545 0.000 8.073) 14.087 9.232 ( 0.876 0.000 -1.934) 2.124 9.378 ( 2.398 0.000 -4.932) 5.484 9.665 ( -4.901 0.000 3.150) 5.827 9.682 ( -2.172 0.000 -1.533) 2.658 9.884 ( 0.861 0.000 -1.617) 1.832 9.898 ( 0.494 0.000 2.309) 2.361 10.124 ( 3.546 0.000 8.673) 9.370 10.318 ( -1.288 0.000 -0.468) 1.370 10.338 ( -8.308 0.000 -0.165) 8.310 10.443 ( 0.907 0.000 3.408) 3.527 10.459 ( -0.674 0.000 -1.406) 1.559 10.924 ( 7.368 0.000 1.919) 7.613 10.939 ( -1.550 0.000 -11.533) 11.637 11.312 ( 12.291 0.000 -13.183) 18.025 11.660 ( -4.176 0.000 1.632) 4.484 11.738 ( 0.895 0.000 -8.908) 8.953 11.840 ( 1.007 0.000 3.406) 3.552 12.317 ( 0.150 0.000 1.047) 1.058 12.486 ( -5.270 0.000 -5.059) 7.306 12.670 ( -1.656 0.000 -1.391) 2.163 13.175 ( 3.314 0.000 7.962) 8.624 13.272 ( -6.545 0.000 9.080) 11.193 13.424 ( 4.576 0.000 9.003) 10.099 13.490 ( -3.153 0.000 0.335) 3.171 13.714 ( -3.324 0.000 -9.294) 9.870 13.872 ( 2.089 0.000 8.532) 8.784 13.882 ( -19.500 0.000 -16.392) 25.474 14.285 ( 8.793 0.000 -1.444) 8.911 14.292 ( -2.663 0.000 0.454) 2.702 14.666 ( 4.042 0.000 -6.936) 8.028 15.909 ( 2.540 0.000 3.875) 4.633 16.208 ( 2.139 0.000 -5.874) 6.251 16.281 ( 3.847 0.000 5.818) 6.975 16.567 ( 0.626 0.000 -24.401) 24.409 16.730 ( -3.164 0.000 3.195) 4.496 17.097 ( 1.556 0.000 -5.983) 6.182 17.280 ( -16.538 0.000 6.755) 17.864 17.654 ( 0.328 0.000 10.617) 10.623 18.503 ( 0.154 0.000 -5.906) 5.908 18.539 ( 5.581 0.000 -7.171) 9.087 19.039 ( -4.335 0.000 0.097) 4.336 19.201 ( 7.542 0.000 6.991) 10.284 19.781 ( -1.691 0.000 1.248) 2.101 19.823 ( -0.710 0.000 -0.336) 0.785 20.228 ( -2.186 0.000 0.498) 2.242 20.338 ( 3.708 0.000 7.575) 8.433 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -34.341 0.000 8.710) 35.429 0.784 ( -33.592 0.000 15.160) 36.854 1.434 ( -54.810 0.000 36.829) 66.034 2.803 ( -1.192 0.000 -1.527) 1.937 2.880 ( 7.723 0.000 0.708) 7.755 3.124 ( 10.820 0.000 -9.150) 14.170 3.335 ( 0.743 0.000 -10.104) 10.131 3.467 ( -8.101 0.000 -12.117) 14.575 3.505 ( 12.390 0.000 -2.478) 12.635 3.790 ( -2.647 0.000 -0.364) 2.672 3.928 ( 10.244 0.000 2.292) 10.497 3.979 ( 7.013 0.000 3.096) 7.666 4.042 ( -0.565 0.000 -2.579) 2.640 4.232 ( 9.565 0.000 10.005) 13.841 4.310 ( -2.987 0.000 3.099) 4.304 4.492 ( 16.650 0.000 -4.950) 17.370 4.525 ( -8.609 0.000 4.049) 9.514 4.632 ( -9.225 0.000 2.649) 9.598 4.975 ( -1.519 0.000 -1.567) 2.183 5.015 ( 2.505 0.000 -4.995) 5.588 5.206 ( -6.040 0.000 1.456) 6.213 5.209 ( -6.370 0.000 -3.538) 7.287 5.275 ( -3.937 0.000 -7.564) 8.528 5.339 ( -4.627 0.000 7.129) 8.499 5.345 ( -4.864 0.000 -0.280) 4.872 5.416 ( 10.427 0.000 -1.782) 10.578 5.542 ( -7.753 0.000 2.160) 8.048 5.808 ( -3.291 0.000 -8.247) 8.879 5.840 ( 13.297 0.000 -7.186) 15.114 6.087 ( -2.642 0.000 6.526) 7.041 6.088 ( 3.862 0.000 4.305) 5.783 6.225 ( 9.294 0.000 13.137) 16.092 6.229 ( -6.974 0.000 -2.616) 7.448 6.505 ( -4.012 0.000 -3.401) 5.260 6.534 ( -2.239 0.000 -3.563) 4.208 6.596 ( -1.524 0.000 -5.795) 5.992 6.730 ( 6.064 0.000 -0.455) 6.081 6.841 ( 9.212 0.000 -2.537) 9.555 6.862 ( 5.569 0.000 -2.085) 5.946 6.928 ( 2.912 0.000 2.751) 4.006 6.999 ( 7.845 0.000 -1.271) 7.947 7.028 ( 0.719 0.000 -3.741) 3.810 7.268 ( 5.064 0.000 -6.119) 7.943 7.311 ( -0.235 0.000 1.105) 1.130 7.326 ( -3.854 0.000 8.600) 9.424 7.619 ( 4.661 0.000 -7.029) 8.434 7.753 ( -6.022 0.000 3.957) 7.205 7.805 ( -5.129 0.000 7.984) 9.489 7.818 ( 0.697 0.000 4.427) 4.481 7.927 ( 2.578 0.000 3.125) 4.051 7.929 ( -0.616 0.000 3.807) 3.857 8.063 ( -3.669 0.000 -1.547) 3.982 8.076 ( -1.682 0.000 -0.588) 1.782 8.272 ( -12.029 0.000 4.916) 12.994 8.375 ( -5.286 0.000 -3.582) 6.386 8.532 ( 2.711 0.000 -0.367) 2.735 8.606 ( -6.170 0.000 0.250) 6.175 8.862 ( 6.251 0.000 1.540) 6.438 8.986 ( -5.287 0.000 0.964) 5.374 9.006 ( 4.700 0.000 2.498) 5.323 9.020 ( 0.981 0.000 1.497) 1.790 9.266 ( 3.109 0.000 -1.728) 3.557 9.390 ( 3.289 0.000 -3.001) 4.453 9.534 ( 5.552 0.000 -0.970) 5.636 9.580 ( -7.465 0.000 -0.169) 7.467 9.703 ( 8.265 0.000 15.058) 17.177 9.898 ( 2.693 0.000 -2.325) 3.557 9.901 ( -2.447 0.000 2.177) 3.276 10.177 ( -6.830 0.000 0.225) 6.834 10.249 ( -1.067 0.000 10.932) 10.984 10.250 ( -3.621 0.000 -10.155) 10.781 10.358 ( -8.843 0.000 -11.071) 14.170 10.523 ( 2.144 0.000 2.480) 3.278 10.857 ( 4.457 0.000 -9.751) 10.721 11.066 ( 7.228 0.000 0.231) 7.232 11.303 ( -1.908 0.000 -18.995) 19.090 11.572 ( -7.261 0.000 2.467) 7.669 11.655 ( -0.693 0.000 -9.748) 9.773 11.869 ( -0.281 0.000 2.588) 2.603 12.209 ( -13.066 0.000 -1.310) 13.132 12.299 ( 1.387 0.000 -15.638) 15.700 12.624 ( -1.948 0.000 -0.950) 2.167 12.961 ( -21.706 0.000 -10.362) 24.052 13.291 ( -1.499 0.000 2.185) 2.649 13.393 ( -5.140 0.000 -6.135) 8.003 13.508 ( -1.181 0.000 -0.936) 1.507 13.526 ( -2.018 0.000 -3.912) 4.402 13.999 ( 10.280 0.000 16.185) 19.174 14.111 ( 0.464 0.000 9.498) 9.509 14.419 ( 35.659 0.000 50.613) 61.913 14.474 ( 9.871 0.000 3.491) 10.470 14.637 ( 0.224 0.000 -6.039) 6.043 15.980 ( 1.353 0.000 2.625) 2.953 16.167 ( -3.666 0.000 -16.215) 16.624 16.258 ( -5.053 0.000 -9.572) 10.824 16.371 ( 0.570 0.000 4.000) 4.040 16.739 ( 0.091 0.000 6.971) 6.971 17.060 ( -12.849 0.000 5.505) 13.979 17.088 ( 2.417 0.000 -3.904) 4.591 17.685 ( -5.894 0.000 6.912) 9.084 18.476 ( 0.834 0.000 -1.847) 2.026 18.598 ( 6.900 0.000 -6.279) 9.329 18.978 ( -1.965 0.000 0.783) 2.115 19.385 ( 6.634 0.000 1.089) 6.723 19.749 ( -2.805 0.000 0.992) 2.975 19.805 ( -0.620 0.000 -0.636) 0.888 20.195 ( -1.399 0.000 -0.044) 1.400 20.452 ( 1.123 0.000 -3.789) 3.952 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.979 25.922 29.818) 40.751 1.255 ( -0.945 26.461 32.484) 41.908 1.815 ( 15.902 45.347 34.963) 59.428 2.711 ( -6.807 14.025 -19.135) 24.682 2.980 ( 2.050 0.286 3.457) 4.030 3.159 ( -1.874 2.869 -16.966) 17.309 3.339 ( 8.534 2.984 -8.394) 12.336 3.477 ( 2.496 4.003 4.861) 6.774 3.683 ( -1.218 -2.918 2.839) 4.250 3.734 ( 6.737 1.922 0.598) 7.032 3.979 ( 0.976 0.360 -1.958) 2.217 4.041 ( -9.089 0.332 -10.510) 13.899 4.104 ( -1.114 -3.959 -1.530) 4.388 4.239 ( 2.618 2.189 -1.928) 3.920 4.341 ( -0.749 2.319 0.175) 2.443 4.417 ( -12.626 5.313 -0.218) 13.700 4.509 ( -6.304 2.522 2.719) 7.314 4.703 ( 6.902 -0.754 -2.882) 7.518 4.860 ( 6.061 -0.408 -0.482) 6.094 4.936 ( -4.774 -1.283 -3.826) 6.251 5.087 ( -1.080 -1.926 1.020) 2.432 5.157 ( -2.444 -1.591 -6.911) 7.501 5.163 ( 3.413 -0.063 -5.544) 6.510 5.249 ( 3.718 1.940 3.886) 5.717 5.320 ( -8.145 1.100 3.205) 8.822 5.469 ( 4.235 -2.116 6.634) 8.150 5.671 ( 6.302 0.720 13.496) 14.912 5.688 ( -4.383 -1.890 -7.312) 8.732 5.936 ( -6.110 -1.469 -3.782) 7.335 6.060 ( 12.693 -4.108 0.789) 13.364 6.108 ( 0.403 -0.441 9.696) 9.714 6.180 ( -2.269 -3.404 3.164) 5.171 6.263 ( -7.600 3.004 -4.005) 9.101 6.326 ( 0.410 -0.852 -1.122) 1.467 6.473 ( 1.420 0.460 -1.111) 1.861 6.537 ( -0.116 -3.232 -2.304) 3.971 6.762 ( -4.294 -0.399 -6.844) 8.089 6.796 ( -1.501 -4.173 -0.282) 4.444 6.948 ( 4.450 -5.335 -1.504) 7.108 7.002 ( 3.416 2.876 1.077) 4.594 7.069 ( -0.689 -3.223 4.140) 5.291 7.112 ( 2.761 -1.967 1.819) 3.848 7.188 ( -5.363 1.376 -10.852) 12.183 7.268 ( 2.119 1.176 5.718) 6.211 7.393 ( 0.415 -1.720 0.448) 1.825 7.543 ( -0.497 1.970 -0.981) 2.256 7.654 ( -1.859 -8.544 -5.951) 10.577 7.731 ( -0.876 -1.780 2.910) 3.522 7.879 ( -5.195 0.494 3.531) 6.301 7.893 ( 1.904 0.692 -2.926) 3.559 8.033 ( 3.948 -3.285 2.259) 5.611 8.076 ( -7.365 -2.052 -0.386) 7.655 8.114 ( 0.211 1.373 4.954) 5.145 8.152 ( 4.358 -3.449 0.883) 5.628 8.361 ( -0.607 -0.888 0.209) 1.096 8.458 ( 0.746 1.388 5.084) 5.323 8.599 ( -0.036 0.772 -0.930) 1.209 8.819 ( -3.711 -3.608 1.213) 5.316 8.948 ( 0.927 3.324 -4.290) 5.506 9.094 ( -0.412 0.402 1.428) 1.540 9.156 ( -9.354 -2.997 1.559) 9.945 9.223 ( -0.315 6.863 0.277) 6.875 9.343 ( 1.056 0.378 -2.259) 2.523 9.421 ( -4.896 -1.935 1.957) 5.616 9.474 ( 1.240 -2.054 -3.094) 3.915 9.587 ( 1.053 4.204 -0.260) 4.342 9.723 ( 1.375 -7.778 1.161) 7.983 9.907 ( -1.072 -3.508 -3.964) 5.400 10.142 ( -3.482 2.475 0.710) 4.331 10.261 ( 0.303 -0.269 0.508) 0.650 10.309 ( -2.087 1.776 7.592) 8.071 10.321 ( 10.938 -2.226 4.284) 11.956 10.494 ( -4.465 -2.277 -0.019) 5.012 10.891 ( 2.023 -1.449 -4.162) 4.849 11.116 ( 8.479 -5.997 0.168) 10.387 11.246 ( 4.856 1.851 -4.404) 6.812 11.421 ( -8.357 -3.373 4.289) 9.981 11.630 ( 5.717 0.535 -1.734) 5.998 11.917 ( 3.448 0.578 -0.370) 3.515 12.104 ( 4.537 -0.085 6.509) 7.934 12.141 ( -4.013 -2.576 2.203) 5.253 12.543 ( -7.137 -1.998 3.211) 8.077 12.836 ( 0.563 5.587 -10.929) 12.287 13.015 ( -4.277 -2.362 -9.095) 10.324 13.431 ( 1.372 -1.163 2.559) 3.128 13.498 ( -0.120 0.855 1.067) 1.372 13.694 ( 8.808 6.097 4.802) 11.739 13.976 ( -7.808 1.088 -4.119) 8.894 14.210 ( 0.033 2.061 6.513) 6.831 14.488 ( 0.602 -4.888 4.445) 6.634 14.659 ( 6.505 -3.033 1.584) 7.350 15.073 ( -11.609 -4.738 -7.801) 14.768 16.026 ( -2.162 2.951 1.123) 3.826 16.189 ( -2.704 -3.292 0.590) 4.300 16.320 ( 5.067 -0.069 -1.033) 5.171 16.415 ( 16.464 -8.604 2.487) 18.743 16.869 ( 0.980 4.125 8.065) 9.112 17.046 ( -3.731 6.296 4.129) 8.403 17.578 ( -8.621 1.316 -0.301) 8.726 17.892 ( 37.975 16.759 -16.135) 44.534 18.450 ( -4.684 -2.847 0.362) 5.494 18.615 ( 1.318 -1.706 0.992) 2.373 18.856 ( -11.653 -7.841 1.737) 14.152 19.062 ( -5.054 -7.908 0.470) 9.397 19.748 ( -0.239 2.710 1.131) 2.946 19.840 ( -0.958 3.671 -0.486) 3.825 20.043 ( -3.681 -0.405 4.564) 5.878 20.392 ( -4.073 6.216 -10.103) 12.542 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 7.432 13.293 29.673) 33.353 1.696 ( 17.297 22.036 27.569) 39.304 2.456 ( 0.818 17.514 -14.508) 22.757 2.718 ( 35.913 26.927 33.057) 55.745 2.935 ( 0.634 3.185 -24.559) 24.773 2.980 ( -4.191 4.327 0.479) 6.043 3.387 ( -0.316 -3.256 -2.319) 4.010 3.560 ( -16.763 -2.279 -3.828) 17.345 3.634 ( -5.816 2.753 5.792) 8.658 3.754 ( -5.059 2.589 -7.139) 9.125 3.768 ( 1.679 3.485 1.841) 4.284 3.882 ( 0.493 6.251 -7.357) 9.667 3.982 ( -5.591 6.296 -5.871) 10.265 4.170 ( 1.132 -2.457 -1.218) 2.967 4.242 ( -0.043 -0.893 -0.247) 0.928 4.469 ( 5.522 0.488 -0.043) 5.544 4.566 ( 2.714 2.306 5.252) 6.345 4.806 ( -1.885 1.562 5.537) 6.054 4.814 ( -2.775 -0.626 -6.068) 6.701 4.894 ( 4.190 0.974 -2.469) 4.960 5.041 ( 3.847 -2.334 -1.331) 4.692 5.143 ( 4.208 2.041 -4.567) 6.537 5.213 ( -2.176 -1.121 0.295) 2.465 5.312 ( 1.822 0.915 0.505) 2.101 5.366 ( 3.648 1.705 -2.988) 5.015 5.504 ( -1.190 -4.826 -0.968) 5.064 5.715 ( 2.502 -3.664 -1.018) 4.552 5.735 ( -6.326 4.982 2.986) 8.588 5.971 ( 7.852 -3.414 8.188) 11.847 6.027 ( -5.454 1.147 -1.767) 5.847 6.048 ( -8.688 -1.197 -1.703) 8.934 6.176 ( -5.478 -1.796 -4.929) 7.585 6.245 ( 2.367 -3.661 -1.241) 4.533 6.313 ( 3.678 -0.993 4.278) 5.728 6.481 ( -3.545 -4.141 4.991) 7.391 6.592 ( 2.918 -3.628 -1.937) 5.043 6.689 ( 4.966 3.339 1.977) 6.303 6.735 ( -7.135 0.032 -0.081) 7.135 6.854 ( -2.435 -4.921 -8.279) 9.934 6.973 ( -5.120 1.371 -1.067) 5.407 7.031 ( 2.328 -5.270 -3.883) 6.948 7.173 ( 1.940 -0.908 4.960) 5.403 7.209 ( -1.735 -3.205 3.031) 4.740 7.290 ( -1.606 1.386 1.636) 2.679 7.405 ( -0.345 0.186 8.461) 8.470 7.528 ( -3.303 -8.066 -5.838) 10.490 7.636 ( 7.615 1.145 2.779) 8.187 7.690 ( -4.502 0.038 0.055) 4.502 7.753 ( -6.862 -0.782 -0.593) 6.932 7.896 ( -2.029 -1.536 -10.212) 10.524 7.957 ( 0.279 2.204 4.950) 5.426 8.038 ( -2.539 0.135 -2.331) 3.449 8.189 ( 4.040 -7.200 0.234) 8.259 8.291 ( 6.809 -2.468 2.996) 7.837 8.368 ( -4.035 -6.965 5.252) 9.611 8.529 ( -3.252 3.427 -5.521) 7.266 8.615 ( 5.870 4.754 6.271) 9.817 8.802 ( 0.804 1.239 2.510) 2.913 8.901 ( -0.764 -2.840 -4.761) 5.596 8.929 ( -8.858 2.046 -1.120) 9.160 9.156 ( 1.337 1.700 2.498) 3.304 9.173 ( -3.257 8.355 1.690) 9.125 9.315 ( -3.455 -0.721 1.933) 4.024 9.389 ( -3.182 -4.341 -1.047) 5.483 9.516 ( 7.332 2.708 -2.236) 8.130 9.677 ( 5.893 3.374 0.006) 6.791 9.781 ( 3.562 -5.754 0.183) 6.770 9.876 ( 0.076 -6.831 -3.769) 7.803 10.134 ( -0.652 2.440 3.497) 4.314 10.282 ( 1.969 0.865 -1.153) 2.440 10.367 ( -1.782 -1.296 -0.954) 2.401 10.378 ( -1.740 1.300 6.799) 7.138 10.496 ( 3.970 0.246 2.159) 4.526 10.853 ( -1.270 -4.535 -3.393) 5.805 11.189 ( -4.092 4.395 -2.478) 6.496 11.336 ( 2.956 -3.246 -6.018) 7.449 11.387 ( 9.866 -10.219 0.643) 14.219 11.741 ( 7.136 -1.723 -3.075) 7.960 11.930 ( -2.260 2.336 -2.727) 4.243 12.119 ( -1.392 -1.071 4.896) 5.201 12.255 ( 4.588 -6.456 7.248) 10.736 12.454 ( -3.055 -3.765 2.392) 5.407 12.836 ( 10.015 3.968 -8.917) 13.984 12.925 ( 0.723 -2.261 -6.164) 6.605 13.450 ( -0.423 0.010 1.863) 1.910 13.548 ( 3.852 3.669 1.576) 5.549 13.769 ( -6.716 2.835 -4.684) 8.665 13.975 ( 13.148 4.689 4.993) 14.825 14.195 ( -6.360 -2.967 5.082) 8.665 14.505 ( -0.525 3.662 0.134) 3.702 14.707 ( -17.111 -2.655 -0.770) 17.333 14.822 ( 1.436 -7.396 5.776) 9.494 15.969 ( -5.141 3.513 0.740) 6.271 16.143 ( -3.393 -4.506 0.551) 5.668 16.279 ( 0.083 1.223 -5.039) 5.186 16.672 ( 10.250 0.081 -6.541) 12.159 16.932 ( -2.491 6.714 4.871) 8.661 17.087 ( 3.576 -3.078 7.280) 8.675 17.393 ( -6.887 0.702 -6.824) 9.721 18.190 ( -25.223 -1.647 9.388) 26.964 18.354 ( 24.263 0.571 -14.953) 28.506 18.647 ( 1.977 2.385 -8.497) 9.044 18.698 ( -2.362 -3.431 9.144) 10.048 19.076 ( 0.551 -4.697 3.228) 5.726 19.741 ( -0.763 1.546 0.951) 1.969 19.857 ( 1.954 4.384 -0.623) 4.840 20.042 ( 0.348 0.148 3.489) 3.509 20.298 ( 0.102 5.731 -3.484) 6.708 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 15.730 6.000 17.526) 24.302 2.282 ( 20.998 13.055 13.736) 28.285 2.461 ( 12.903 14.009 1.667) 19.118 2.692 ( -2.962 1.012 -21.783) 22.006 2.831 ( -9.125 6.594 -11.658) 16.207 3.057 ( -31.909 7.927 -0.293) 32.880 3.146 ( -12.676 -1.895 -1.510) 12.906 3.434 ( -0.380 8.780 -5.115) 10.168 3.630 ( 16.949 9.271 19.492) 27.443 3.849 ( 7.417 1.178 -4.985) 9.014 3.889 ( 2.817 2.530 -8.934) 9.703 3.947 ( 15.662 17.826 19.204) 30.526 4.013 ( 6.928 -0.177 5.574) 8.894 4.176 ( 5.342 -1.639 -9.260) 10.815 4.269 ( -1.264 -1.178 4.107) 4.456 4.571 ( -2.607 4.142 1.380) 5.085 4.598 ( 4.998 1.696 -0.113) 5.279 4.737 ( -3.088 -4.197 -2.663) 5.852 4.756 ( 1.668 2.865 -3.991) 5.188 4.935 ( -2.109 -2.131 -3.267) 4.434 5.029 ( -15.779 0.386 -9.891) 18.627 5.126 ( -3.526 3.752 3.236) 6.081 5.187 ( -4.023 -0.035 2.701) 4.846 5.268 ( -2.062 5.970 6.511) 9.071 5.337 ( 4.318 1.244 -4.942) 6.680 5.426 ( 3.468 1.941 -6.219) 7.381 5.572 ( -5.711 -4.429 1.880) 7.468 5.803 ( -1.822 1.710 -0.978) 2.683 5.845 ( -4.464 -1.611 -6.015) 7.662 6.006 ( 6.673 -1.982 4.779) 8.443 6.030 ( -5.944 -7.312 -10.894) 14.404 6.208 ( 8.022 -2.288 3.236) 8.948 6.311 ( 1.001 -1.881 8.333) 8.601 6.358 ( 4.075 -2.944 1.492) 5.244 6.501 ( -8.366 -2.613 0.417) 8.775 6.559 ( 0.476 -4.935 4.424) 6.645 6.679 ( 1.096 -2.186 -2.607) 3.574 6.766 ( 4.212 -5.363 1.123) 6.911 6.822 ( -9.119 1.039 -2.992) 9.653 6.900 ( 3.538 -3.315 -0.018) 4.848 7.049 ( -4.316 -3.302 -4.714) 7.194 7.091 ( 1.947 -0.293 0.218) 1.981 7.183 ( -3.315 3.229 -0.776) 4.692 7.322 ( 1.629 -2.465 0.579) 3.011 7.424 ( -1.582 -2.589 -2.672) 4.043 7.534 ( -1.098 -6.311 9.698) 11.623 7.634 ( -1.453 -2.291 4.754) 5.473 7.698 ( -2.589 -3.517 3.219) 5.425 7.759 ( 0.061 2.148 -1.222) 2.472 7.826 ( 6.078 2.261 -1.317) 6.617 7.977 ( 1.930 2.451 -2.514) 4.007 8.053 ( 1.152 -1.054 6.565) 6.748 8.178 ( -1.921 -7.243 -6.360) 9.828 8.306 ( -4.251 -2.495 3.929) 6.303 8.390 ( 1.031 -0.963 1.011) 1.736 8.475 ( 0.525 -1.560 1.883) 2.501 8.688 ( -4.160 5.197 0.926) 6.721 8.790 ( -2.688 5.567 4.099) 7.417 8.871 ( 1.025 -0.467 3.282) 3.469 8.875 ( 0.222 -2.103 -1.512) 2.600 9.144 ( 1.527 3.220 -1.651) 3.927 9.218 ( 0.106 1.897 -1.696) 2.547 9.269 ( -1.023 -1.254 2.172) 2.708 9.351 ( -0.547 -3.806 -0.214) 3.851 9.614 ( 4.743 1.738 -1.142) 5.179 9.726 ( 0.192 -1.596 -0.082) 1.609 9.835 ( -1.281 -6.796 -1.606) 7.100 9.876 ( 6.518 4.865 -1.010) 8.196 10.153 ( -2.530 2.056 3.386) 4.700 10.216 ( -2.386 -0.915 -1.011) 2.748 10.372 ( 2.989 3.820 0.277) 4.859 10.530 ( 7.007 0.844 5.893) 9.194 10.537 ( -0.310 2.446 1.497) 2.884 10.787 ( -4.833 -5.560 -2.216) 7.693 11.078 ( -1.401 2.730 -4.735) 5.642 11.270 ( -3.352 -4.087 -6.682) 8.520 11.563 ( 8.831 -5.289 -2.659) 10.632 11.808 ( -2.202 1.387 -2.140) 3.369 11.822 ( 1.834 0.160 -5.044) 5.369 12.168 ( 1.478 -1.394 4.753) 5.169 12.398 ( 3.935 -9.712 4.984) 11.604 12.478 ( 1.836 -7.670 2.023) 8.142 12.896 ( 1.430 -5.700 -3.151) 6.669 12.997 ( 9.890 -0.367 -0.998) 9.947 13.465 ( 0.138 0.406 0.894) 0.992 13.550 ( -2.397 1.527 -3.158) 4.249 13.757 ( 8.241 12.467 0.195) 14.946 14.075 ( -6.763 -6.828 0.583) 9.628 14.244 ( 3.678 3.106 5.115) 7.024 14.383 ( -9.350 -3.533 -3.352) 10.542 14.516 ( 0.088 4.291 0.730) 4.353 14.800 ( -9.997 -5.054 0.916) 11.239 15.885 ( -3.505 3.638 1.034) 5.157 16.095 ( -1.430 -1.134 0.846) 2.011 16.260 ( 1.736 1.417 -3.769) 4.384 16.730 ( 4.500 4.554 -8.694) 10.797 16.902 ( -2.592 7.085 0.298) 7.551 17.244 ( -1.229 1.380 -8.685) 8.880 17.254 ( 5.442 -5.292 9.493) 12.155 17.843 ( -21.488 2.310 10.146) 23.875 18.515 ( 6.500 -2.067 -8.284) 10.731 18.601 ( 3.936 1.297 -11.670) 12.384 18.811 ( 3.879 -2.910 7.999) 9.354 19.093 ( -2.503 -5.249 4.147) 7.142 19.754 ( 1.453 -0.012 0.644) 1.589 19.857 ( -1.540 2.383 0.125) 2.840 20.128 ( 5.434 0.865 2.254) 5.946 20.287 ( -0.511 3.254 0.105) 3.296 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -29.780 6.795 -7.947) 31.562 2.233 ( 9.888 5.760 0.904) 11.479 2.369 ( -30.085 5.544 1.455) 30.626 2.685 ( 11.049 7.438 -13.992) 19.318 2.739 ( 19.173 11.113 -1.730) 22.228 2.989 ( 20.050 3.765 19.420) 28.166 3.193 ( 9.565 0.979 3.830) 10.350 3.357 ( -7.454 16.531 0.111) 18.134 3.775 ( -13.985 -0.549 -11.165) 17.904 3.800 ( 0.459 2.626 2.402) 3.588 3.898 ( -2.357 5.248 -4.771) 7.474 3.948 ( -1.588 3.689 -0.089) 4.017 4.044 ( -16.627 10.161 0.016) 19.486 4.212 ( -1.700 0.067 -1.670) 2.384 4.323 ( -6.109 2.738 -2.401) 7.112 4.554 ( 0.448 5.194 -0.698) 5.260 4.651 ( 2.041 -3.401 -0.629) 4.016 4.720 ( 7.051 1.097 -2.622) 7.602 4.802 ( 1.825 5.524 2.932) 6.515 4.892 ( 18.196 8.475 -3.601) 20.394 4.948 ( 3.395 -2.305 5.807) 7.110 5.028 ( -1.824 -5.109 2.436) 5.947 5.196 ( -2.802 0.537 5.952) 6.600 5.347 ( 4.880 2.094 9.109) 10.544 5.435 ( -2.978 -3.163 -7.187) 8.397 5.481 ( 6.109 -0.806 1.368) 6.312 5.528 ( 6.212 1.512 0.533) 6.415 5.701 ( -2.851 -3.555 -5.229) 6.936 5.816 ( 1.694 0.272 0.855) 1.917 5.857 ( -2.652 -3.261 -6.802) 7.996 6.191 ( 1.852 -1.602 2.414) 3.439 6.280 ( -5.767 -5.262 0.677) 7.837 6.325 ( 0.100 -0.988 0.989) 1.401 6.380 ( 2.115 -4.071 2.550) 5.249 6.445 ( -3.375 -2.993 4.959) 6.704 6.570 ( -2.121 -4.573 -2.110) 5.465 6.656 ( 2.527 6.663 2.573) 7.577 6.696 ( -0.123 -4.286 -5.447) 6.932 6.819 ( -3.713 -3.943 -2.996) 6.189 6.870 ( 0.054 -9.057 0.183) 9.059 7.030 ( 3.395 -1.164 -5.176) 6.298 7.055 ( -2.975 2.621 2.713) 4.804 7.169 ( 2.053 -3.413 -4.751) 6.200 7.344 ( -0.763 0.834 -8.364) 8.440 7.366 ( -0.492 2.843 -0.376) 2.909 7.554 ( -0.739 -4.767 2.298) 5.343 7.641 ( -7.039 -10.125 12.197) 17.345 7.697 ( 1.886 2.849 8.114) 8.804 7.772 ( 2.816 1.509 -1.669) 3.604 7.894 ( -3.473 2.118 0.003) 4.068 8.053 ( 6.146 -3.318 3.556) 7.837 8.094 ( -1.526 -5.674 -4.711) 7.531 8.148 ( 0.504 0.064 8.449) 8.464 8.314 ( -1.632 -3.428 2.671) 4.642 8.390 ( 5.437 2.427 1.787) 6.217 8.554 ( -4.300 -3.316 5.390) 7.651 8.640 ( 3.532 3.431 0.595) 4.960 8.758 ( -2.770 3.837 3.856) 6.104 8.847 ( -1.472 1.654 -0.149) 2.219 8.947 ( 0.790 -2.345 4.847) 5.443 9.152 ( 0.029 1.060 -2.590) 2.798 9.177 ( 0.754 0.665 -3.441) 3.585 9.265 ( -2.886 -3.295 -0.566) 4.416 9.337 ( 0.114 -2.638 -1.489) 3.032 9.661 ( 0.510 0.760 0.082) 0.919 9.720 ( 0.025 -0.257 -0.459) 0.526 9.842 ( 2.300 -6.043 2.030) 6.777 9.967 ( 3.997 7.103 -0.688) 8.179 10.092 ( -3.671 5.169 1.549) 6.526 10.256 ( 2.057 -1.929 4.827) 5.591 10.406 ( -0.001 4.840 0.610) 4.879 10.522 ( -1.592 1.719 -0.237) 2.355 10.593 ( -10.681 -0.170 -2.771) 11.036 10.724 ( 6.765 -2.416 3.824) 8.138 11.093 ( 7.579 -7.890 -9.717) 14.633 11.124 ( -3.661 2.551 -6.414) 7.814 11.667 ( 4.475 -5.308 -2.362) 7.334 11.727 ( -1.423 1.759 -1.537) 2.735 11.856 ( 2.824 2.049 -2.365) 4.215 12.242 ( 1.552 -1.697 4.752) 5.279 12.411 ( -5.110 -19.053 -3.163) 19.978 12.511 ( -1.961 -3.016 5.829) 6.850 12.940 ( 3.243 -6.140 2.348) 7.330 13.144 ( 5.506 -5.171 3.839) 8.473 13.435 ( -2.767 2.369 -2.097) 4.203 13.540 ( 2.540 -0.582 -1.893) 3.221 13.895 ( 0.094 13.685 1.096) 13.729 13.985 ( -2.454 -7.730 -0.461) 8.123 14.100 ( -1.689 1.869 -1.536) 2.951 14.394 ( -1.773 3.403 0.738) 3.907 14.496 ( -12.594 0.525 -8.487) 15.195 14.591 ( 4.987 2.545 -2.701) 6.216 15.880 ( 0.491 3.310 3.048) 4.526 16.117 ( 1.164 -1.923 2.722) 3.530 16.269 ( 2.671 2.655 -2.496) 4.518 16.691 ( 1.998 1.097 -13.702) 13.890 16.848 ( -3.296 6.607 0.282) 7.388 17.193 ( 2.472 4.717 -5.975) 8.004 17.426 ( 0.953 -3.601 11.216) 11.818 17.602 ( -11.202 3.422 5.680) 13.018 18.519 ( 2.443 -0.865 -6.067) 6.597 18.557 ( 1.802 -0.268 -10.061) 10.225 18.964 ( 5.131 -4.001 7.388) 9.845 19.060 ( -4.071 -4.834 2.247) 6.707 19.792 ( 0.291 0.580 0.936) 1.139 19.826 ( -0.569 -0.397 0.222) 0.728 20.226 ( -0.514 1.204 2.719) 3.018 20.288 ( 2.758 2.159 1.496) 3.809 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -31.531 16.218 -5.496) 35.881 1.738 ( -35.775 16.808 8.224) 40.373 2.521 ( 9.175 3.782 1.371) 10.018 2.672 ( -31.094 20.939 -5.187) 37.844 2.876 ( 5.439 12.391 -4.385) 14.224 3.134 ( 21.498 5.107 -3.974) 22.451 3.326 ( -3.940 2.080 -7.969) 9.130 3.498 ( 1.662 7.698 7.750) 11.049 3.550 ( 11.113 -1.388 10.452) 15.319 3.761 ( -1.936 -2.417 -4.103) 5.141 3.837 ( -1.761 1.172 -13.079) 13.249 3.946 ( 6.258 10.397 7.667) 14.355 4.048 ( -1.439 4.053 0.156) 4.304 4.095 ( -1.272 -1.139 2.145) 2.742 4.181 ( -2.939 4.013 7.702) 9.168 4.459 ( 5.120 4.313 -11.342) 13.170 4.658 ( -9.914 -3.374 4.293) 11.318 4.811 ( -9.295 1.198 3.344) 9.951 4.897 ( 11.007 -2.011 -2.582) 11.483 4.927 ( 1.602 -0.756 -4.602) 4.931 5.053 ( 3.660 -6.164 10.883) 13.032 5.175 ( 4.704 1.499 4.793) 6.881 5.314 ( -3.649 -1.235 -1.097) 4.005 5.374 ( 12.523 4.122 -4.287) 13.864 5.453 ( -2.888 -2.601 -4.753) 6.140 5.471 ( -2.270 2.123 2.916) 4.262 5.574 ( -2.549 -2.093 -9.424) 9.984 5.739 ( 10.644 -3.187 1.454) 11.205 5.779 ( -3.456 -3.355 -1.514) 5.049 5.939 ( 7.642 -0.399 -0.266) 7.657 6.089 ( -10.074 -0.864 6.105) 11.811 6.190 ( -2.125 1.637 2.830) 3.899 6.306 ( -4.420 -2.579 0.021) 5.118 6.415 ( -1.276 -8.171 -0.153) 8.271 6.542 ( 3.538 -1.621 5.697) 6.899 6.577 ( 6.043 -1.831 0.413) 6.327 6.688 ( 3.455 -0.488 3.846) 5.193 6.722 ( -1.457 2.636 -4.825) 5.688 6.761 ( 5.522 3.035 -3.722) 7.319 6.864 ( 2.742 -6.768 -3.207) 7.975 6.994 ( -3.178 -6.324 -3.746) 8.008 7.076 ( -0.899 -0.542 1.213) 1.604 7.092 ( 4.101 1.821 -3.502) 5.692 7.304 ( -4.642 1.297 -0.012) 4.820 7.348 ( 3.775 4.163 -4.069) 6.939 7.532 ( -1.293 -9.589 -3.855) 10.416 7.664 ( -0.254 -6.427 7.853) 10.151 7.792 ( 0.201 1.965 1.620) 2.555 7.847 ( 0.633 3.281 9.931) 10.479 7.899 ( 3.669 3.070 6.295) 7.907 7.998 ( -2.751 -2.656 -3.984) 5.522 8.093 ( -3.894 -3.334 -3.388) 6.145 8.215 ( 0.184 -4.275 4.557) 6.251 8.295 ( -3.977 -4.104 2.415) 6.204 8.429 ( -6.605 3.723 2.225) 7.901 8.560 ( -3.342 -2.907 0.846) 4.509 8.662 ( 9.933 0.721 2.182) 10.196 8.766 ( -5.469 5.345 1.674) 7.828 8.940 ( 5.092 -1.357 7.148) 8.881 8.966 ( -0.845 -2.231 0.926) 2.559 9.100 ( -2.117 -0.353 -2.581) 3.356 9.187 ( -1.144 -0.578 -1.116) 1.700 9.213 ( 5.415 -2.519 0.608) 6.003 9.346 ( 2.235 -2.869 -1.366) 3.885 9.641 ( -2.861 0.304 1.129) 3.091 9.706 ( -1.690 0.405 -1.429) 2.250 9.859 ( -3.881 -2.981 -0.076) 4.894 10.014 ( 1.341 5.488 0.630) 5.684 10.110 ( 1.286 0.558 8.564) 8.678 10.302 ( -3.960 -1.066 -1.256) 4.289 10.368 ( -6.422 1.939 0.783) 6.754 10.425 ( 0.529 -0.900 3.100) 3.271 10.486 ( -1.902 1.069 -1.635) 2.726 10.850 ( 5.013 -3.265 -3.157) 6.765 11.032 ( 2.956 5.740 -6.572) 9.213 11.165 ( 6.817 -10.521 -8.870) 15.357 11.631 ( -3.468 -4.871 -2.654) 6.542 11.757 ( 3.813 3.974 -3.708) 6.640 11.880 ( 0.688 1.184 -0.030) 1.370 12.178 ( -14.456 -20.409 -5.431) 25.593 12.284 ( -1.613 -2.870 2.557) 4.169 12.526 ( -3.132 -2.458 10.036) 10.797 13.005 ( 1.050 -6.353 1.985) 6.738 13.284 ( 0.936 -7.160 8.386) 11.066 13.345 ( -1.660 1.882 -3.889) 4.628 13.501 ( -3.682 -1.972 -5.722) 7.084 13.878 ( -0.078 0.772 4.810) 4.872 13.911 ( -4.499 1.903 -3.318) 5.905 14.079 ( -6.611 4.638 -3.684) 8.876 14.366 ( 16.680 17.691 1.588) 24.366 14.435 ( 0.785 6.226 0.214) 6.279 14.634 ( 3.376 -1.806 -5.273) 6.516 15.935 ( 1.895 2.375 3.097) 4.339 16.146 ( 0.489 -3.376 -0.404) 3.435 16.319 ( 3.175 2.508 0.569) 4.086 16.536 ( -3.203 -3.004 -18.612) 19.123 16.808 ( -2.362 7.467 2.762) 8.305 17.189 ( -2.466 6.066 1.323) 6.681 17.386 ( -1.343 9.205 -3.458) 9.924 17.639 ( 0.806 -1.246 10.005) 10.115 18.496 ( 0.517 -0.718 -5.905) 5.971 18.526 ( 4.165 -0.955 -6.323) 7.631 18.993 ( -4.207 -4.232 0.564) 5.994 19.117 ( 4.041 -6.972 6.387) 10.283 19.761 ( -2.475 -0.693 0.724) 2.670 19.858 ( 1.818 2.032 0.242) 2.738 20.172 ( -5.645 -1.719 2.150) 6.280 20.402 ( 5.677 2.598 2.814) 6.848 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -15.082 29.473 15.357) 36.496 1.288 ( -25.772 25.465 21.306) 42.031 1.867 ( -38.389 43.709 10.669) 59.143 2.829 ( 11.009 -0.119 3.805) 11.649 2.957 ( -1.690 7.941 -7.363) 10.961 3.188 ( 2.976 3.375 -6.796) 8.151 3.377 ( 7.597 4.076 -13.585) 16.090 3.479 ( -3.902 5.809 1.921) 7.256 3.601 ( 3.567 5.974 -8.882) 11.283 3.700 ( -2.116 -4.982 -1.300) 5.566 3.889 ( 9.329 -1.605 3.830) 10.212 4.020 ( 3.648 2.100 -4.141) 5.905 4.085 ( 4.603 1.858 6.080) 7.849 4.276 ( 7.491 4.092 6.492) 10.724 4.329 ( -5.405 3.139 3.909) 7.372 4.445 ( -2.964 -4.562 3.862) 6.672 4.570 ( 13.345 4.015 -5.867) 15.120 4.693 ( -9.135 3.229 2.693) 10.056 4.866 ( 0.294 -7.142 -3.594) 8.001 5.000 ( -3.755 -1.612 -4.451) 6.042 5.136 ( -4.577 -1.311 0.548) 4.792 5.221 ( -3.683 -3.881 0.778) 5.406 5.247 ( 2.263 -4.593 5.248) 7.332 5.274 ( -6.756 -2.257 -4.734) 8.553 5.336 ( -4.832 -1.358 -1.658) 5.286 5.517 ( 3.743 6.926 1.266) 7.974 5.542 ( -8.423 0.502 0.419) 8.448 5.756 ( 9.670 -1.503 0.337) 9.792 5.866 ( 2.684 -0.678 -7.435) 7.934 6.037 ( 1.123 -1.763 -1.269) 2.445 6.070 ( -2.419 -3.376 7.334) 8.429 6.153 ( -0.993 -1.901 6.280) 6.636 6.235 ( 0.410 -0.285 -0.225) 0.547 6.381 ( -1.282 -7.849 -1.319) 8.061 6.548 ( -5.753 3.015 -5.461) 8.485 6.603 ( -0.814 -0.500 -0.281) 0.996 6.745 ( 4.676 -2.944 -1.758) 5.799 6.813 ( 2.746 -3.603 4.114) 6.120 6.851 ( 8.901 0.929 -3.442) 9.589 6.950 ( 0.326 0.577 1.674) 1.800 6.995 ( 10.728 -1.425 -2.974) 11.224 7.050 ( 1.675 -0.422 -1.246) 2.129 7.161 ( -3.356 -4.821 -0.679) 5.913 7.283 ( 6.870 -0.947 4.980) 8.538 7.380 ( -0.304 3.581 -3.176) 4.796 7.532 ( 5.389 -6.405 -3.573) 9.101 7.703 ( -0.670 -3.293 1.640) 3.740 7.788 ( -4.686 0.541 -0.054) 4.717 7.846 ( -2.782 3.288 -3.112) 5.314 7.916 ( -5.431 0.870 9.163) 10.687 7.963 ( 0.259 -0.354 2.592) 2.629 8.092 ( 3.405 0.173 3.803) 5.108 8.141 ( -7.217 -3.168 -1.801) 8.085 8.211 ( -4.412 -5.473 0.396) 7.041 8.376 ( -3.446 2.628 -1.174) 4.490 8.526 ( -2.251 2.253 5.128) 6.036 8.608 ( -6.780 1.220 -0.342) 6.898 8.853 ( 0.667 -6.374 3.233) 7.179 8.933 ( 1.534 2.950 -2.364) 4.080 9.049 ( 2.853 2.435 -1.278) 3.963 9.104 ( 7.654 3.197 1.178) 8.378 9.198 ( 0.242 -2.575 1.762) 3.130 9.373 ( 2.098 -5.942 3.295) 7.112 9.413 ( 7.112 -7.885 1.797) 10.769 9.566 ( -7.566 -2.432 0.184) 7.950 9.630 ( -3.762 3.293 -0.773) 5.059 9.751 ( -5.025 -5.581 -1.192) 7.604 10.023 ( -2.480 1.226 -0.628) 2.837 10.159 ( -3.186 -0.884 0.591) 3.359 10.216 ( -0.741 -1.643 6.764) 7.000 10.311 ( -2.541 3.317 0.656) 4.230 10.351 ( -9.258 -0.393 -6.811) 11.500 10.504 ( 1.385 -1.718 3.629) 4.247 10.865 ( 4.394 0.640 -7.468) 8.689 11.067 ( 4.402 -6.545 -7.512) 10.892 11.189 ( 2.259 2.646 -0.291) 3.491 11.529 ( -4.820 -8.349 -1.841) 9.814 11.675 ( -8.343 3.082 -3.835) 9.685 11.871 ( 0.724 -1.414 -0.112) 1.593 12.002 ( 0.978 -1.921 0.972) 2.364 12.224 ( -6.429 -3.149 2.605) 7.618 12.575 ( -1.852 -1.970 7.709) 8.169 12.967 ( -3.393 -2.576 -7.482) 8.610 13.205 ( -8.409 -4.299 -0.432) 9.454 13.395 ( 0.188 1.937 -2.499) 3.167 13.424 ( 4.686 -4.962 2.309) 7.205 13.690 ( -7.989 9.461 -3.781) 12.947 14.029 ( 6.037 0.734 6.828) 9.143 14.102 ( 1.776 -1.679 3.326) 4.127 14.428 ( 0.185 -0.600 2.421) 2.501 14.601 ( 2.967 -0.734 -4.473) 5.418 14.910 ( 28.144 12.843 8.518) 32.087 15.998 ( 3.420 1.620 2.371) 4.466 16.117 ( -1.859 -0.972 -2.990) 3.652 16.275 ( -5.525 0.913 -7.965) 9.736 16.379 ( 0.325 -1.533 -0.526) 1.653 16.811 ( -0.480 7.231 3.888) 8.224 17.109 ( -7.892 5.443 5.847) 11.230 17.473 ( 19.763 22.053 -13.723) 32.638 17.684 ( -5.183 -0.016 7.502) 9.118 18.470 ( 0.631 -0.696 -2.072) 2.275 18.569 ( 5.376 -2.300 -4.342) 7.283 18.930 ( -2.579 -4.223 0.122) 4.949 19.184 ( -3.362 -13.632 3.519) 14.475 19.739 ( -0.437 0.494 0.688) 0.953 19.871 ( -0.642 4.306 -0.239) 4.360 20.089 ( -5.463 -3.504 3.211) 7.242 20.499 ( 3.227 0.412 -4.359) 5.439 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -11.730 20.291 29.894) 37.986 1.909 ( 3.201 32.883 16.873) 37.098 2.635 ( 5.888 10.230 1.847) 11.947 3.017 ( 1.187 27.295 7.325) 28.286 3.158 ( 2.260 14.413 -6.609) 16.017 3.212 ( 0.006 2.251 -6.404) 6.788 3.417 ( 5.548 3.301 -16.241) 17.477 3.551 ( -2.217 4.580 3.418) 6.130 3.650 ( 1.661 2.460 0.659) 3.041 3.846 ( -0.164 5.213 -4.388) 6.816 4.005 ( 0.114 -3.096 -4.386) 5.370 4.022 ( -0.166 1.666 0.488) 1.744 4.026 ( -4.444 -0.677 -1.450) 4.723 4.321 ( 3.367 6.153 -2.082) 7.317 4.434 ( -8.722 6.184 1.831) 10.847 4.484 ( 1.157 3.498 0.254) 3.693 4.634 ( -8.136 6.988 4.774) 11.740 4.672 ( 3.153 -0.054 -4.063) 5.143 4.876 ( 1.094 1.956 -3.700) 4.325 4.948 ( 1.140 0.486 -1.683) 2.090 5.011 ( 5.383 -4.282 4.129) 8.022 5.122 ( 2.131 -0.713 -3.502) 4.160 5.149 ( 2.903 0.544 -1.752) 3.434 5.211 ( 3.013 -4.396 4.695) 7.102 5.308 ( -7.806 -1.470 4.952) 9.361 5.393 ( 5.945 -5.789 3.584) 9.039 5.653 ( -5.630 -3.517 -7.669) 10.143 5.744 ( 0.908 4.947 6.123) 7.924 5.896 ( 4.598 -6.514 -0.256) 7.977 5.974 ( -1.785 4.247 -0.449) 4.629 6.099 ( -1.796 -3.703 -2.812) 4.984 6.129 ( -3.163 -3.590 3.137) 5.721 6.219 ( -2.902 -1.925 2.204) 4.122 6.313 ( -0.901 -8.287 1.511) 8.472 6.401 ( 1.930 1.114 3.187) 3.889 6.561 ( -3.125 2.245 -2.564) 4.623 6.696 ( -3.834 -4.412 -2.113) 6.216 6.730 ( 1.234 -6.525 1.590) 6.828 6.791 ( 3.980 -3.648 -3.507) 6.438 6.976 ( -1.794 -4.388 2.943) 5.580 7.089 ( 3.416 3.289 -2.144) 5.204 7.097 ( 5.957 0.128 -0.932) 6.031 7.242 ( -7.398 0.152 2.059) 7.681 7.283 ( 5.458 0.594 2.480) 6.025 7.362 ( 3.195 0.026 -0.671) 3.265 7.495 ( -1.189 -1.377 -4.787) 5.121 7.648 ( -4.041 -0.659 -2.715) 4.912 7.664 ( -1.966 -3.690 -1.278) 4.372 7.782 ( -0.838 -6.984 0.778) 7.077 7.894 ( 1.174 -3.368 2.511) 4.362 7.929 ( 1.939 -4.713 -4.466) 6.776 7.967 ( 3.435 -3.610 -2.594) 5.618 8.102 ( -6.373 3.053 -2.706) 7.567 8.171 ( -3.206 1.401 4.818) 5.955 8.382 ( -8.155 1.823 0.827) 8.397 8.544 ( 3.273 2.128 6.714) 7.766 8.629 ( 2.156 3.605 0.364) 4.216 8.756 ( -1.458 -1.268 1.189) 2.268 9.026 ( 1.656 -1.221 -4.896) 5.311 9.039 ( -2.192 -0.588 -2.876) 3.663 9.162 ( -2.200 0.193 1.304) 2.565 9.255 ( -1.538 -2.822 -2.731) 4.218 9.327 ( 4.282 -3.673 5.981) 8.222 9.385 ( -1.892 -2.525 2.535) 4.048 9.426 ( 3.547 -0.231 1.715) 3.946 9.553 ( 1.640 -5.355 -0.055) 5.600 9.658 ( 0.515 0.736 -1.517) 1.763 9.808 ( -4.489 -4.804 -5.625) 8.652 10.176 ( 0.751 0.874 2.370) 2.635 10.242 ( 1.161 -0.734 3.569) 3.824 10.334 ( 4.328 2.549 1.471) 5.234 10.347 ( -2.193 1.876 3.572) 4.592 10.445 ( -4.836 -2.114 1.252) 5.424 10.877 ( -0.863 -5.937 -6.157) 8.597 10.941 ( 6.394 -3.614 0.534) 7.364 11.234 ( -0.814 -1.588 -4.085) 4.458 11.492 ( -1.354 7.089 1.534) 7.378 11.637 ( 4.878 -0.121 -1.158) 5.015 11.911 ( 2.620 -0.953 -0.456) 2.825 12.097 ( 4.936 -0.278 -2.377) 5.486 12.167 ( -4.447 3.026 7.622) 9.329 12.498 ( -6.815 -2.057 5.107) 8.761 12.865 ( 1.070 0.202 -10.321) 10.378 13.000 ( -3.286 0.499 -7.398) 8.110 13.388 ( 1.675 -1.516 6.745) 7.113 13.550 ( 1.277 2.819 2.503) 3.980 13.789 ( 3.365 1.566 1.599) 4.041 13.983 ( -2.241 -0.554 -2.591) 3.470 14.240 ( -4.012 0.755 5.528) 6.872 14.343 ( 6.756 -8.218 7.883) 13.241 14.651 ( 2.450 2.128 -3.231) 4.580 14.960 ( -7.275 -5.084 -9.824) 13.240 16.085 ( -1.461 1.022 -0.267) 1.803 16.156 ( -5.681 1.985 4.223) 7.351 16.270 ( 12.153 -5.061 5.895) 14.424 16.346 ( 0.895 1.163 -4.013) 4.273 17.048 ( 2.186 10.323 1.315) 10.634 17.175 ( -2.432 5.184 1.710) 5.976 17.631 ( -9.117 4.108 2.928) 10.420 18.084 ( 20.219 3.497 -9.199) 22.487 18.390 ( -6.954 -2.240 0.947) 7.367 18.578 ( 0.865 -1.581 3.812) 4.217 18.741 ( -4.207 -4.036 -3.681) 6.894 18.868 ( 1.042 -10.037 -1.279) 10.172 19.817 ( 0.523 3.667 1.506) 3.998 19.940 ( -0.622 5.594 -0.937) 5.706 20.044 ( -2.039 0.121 4.104) 4.584 20.423 ( -0.567 -1.788 -6.641) 6.901 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.810 17.713 23.299) 29.279 2.207 ( 10.079 25.492 21.145) 34.620 2.728 ( -1.585 2.324 2.764) 3.944 3.030 ( -6.095 12.472 -13.808) 19.579 3.137 ( 1.979 9.309 -11.311) 14.783 3.286 ( 7.926 6.087 -0.151) 9.995 3.344 ( 9.466 10.740 0.368) 14.320 3.521 ( -10.302 -1.920 -4.214) 11.295 3.717 ( 4.512 -0.877 -3.753) 5.934 3.788 ( 8.530 9.509 7.028) 14.580 3.957 ( -4.584 8.758 -3.429) 10.463 4.027 ( 1.520 10.063 -1.367) 10.269 4.078 ( -5.058 3.221 3.511) 6.949 4.161 ( 0.449 3.194 0.491) 3.263 4.301 ( 1.359 2.993 -3.088) 4.510 4.499 ( -3.479 6.383 -1.843) 7.500 4.622 ( 1.991 4.053 4.904) 6.666 4.785 ( 2.539 -1.607 3.665) 4.739 4.870 ( -5.776 4.105 2.823) 7.628 4.948 ( 7.846 3.386 0.235) 8.549 5.024 ( 2.153 2.204 -9.217) 9.718 5.175 ( -7.479 -2.562 3.018) 8.462 5.203 ( 4.876 2.646 -4.235) 6.980 5.266 ( 3.627 -4.745 -2.402) 6.437 5.341 ( 7.327 -4.447 2.235) 8.858 5.457 ( 2.493 -0.038 -2.001) 3.197 5.653 ( 6.241 -3.175 -2.473) 7.426 5.810 ( -4.437 -1.102 6.074) 7.603 5.888 ( -4.371 -2.060 3.515) 5.975 5.982 ( 6.536 -5.938 -7.046) 11.297 6.009 ( -4.206 -0.274 3.748) 5.640 6.031 ( -6.807 -3.793 -0.487) 7.808 6.188 ( -5.841 -5.941 1.592) 8.482 6.328 ( -0.794 -6.178 2.559) 6.734 6.371 ( -1.908 -0.314 2.408) 3.088 6.520 ( -1.441 -2.144 -1.108) 2.810 6.680 ( -0.528 -5.415 3.124) 6.274 6.790 ( -0.542 -7.250 -2.468) 7.678 6.796 ( 0.265 2.151 -2.740) 3.493 6.861 ( -3.565 5.185 -4.415) 7.687 7.051 ( -5.090 -2.690 -3.365) 6.668 7.106 ( -4.154 -0.981 3.790) 5.708 7.212 ( 2.627 1.330 0.108) 2.946 7.334 ( -2.098 2.167 6.101) 6.806 7.381 ( -3.788 -0.959 4.933) 6.293 7.429 ( 0.962 0.583 -4.920) 5.047 7.648 ( 0.927 -1.187 -0.473) 1.578 7.670 ( 3.782 -2.189 0.972) 4.477 7.700 ( -5.891 -5.425 -3.226) 8.633 7.853 ( -0.089 1.422 -5.275) 5.464 7.971 ( 3.121 -6.270 -5.939) 9.183 8.003 ( 0.959 -1.593 5.643) 5.941 8.060 ( -2.046 -2.176 -2.656) 3.996 8.144 ( 3.580 -8.478 0.715) 9.230 8.301 ( -3.613 -0.836 5.365) 6.522 8.573 ( -2.592 0.799 -0.108) 2.714 8.720 ( 0.203 0.175 3.295) 3.306 8.795 ( 5.488 1.772 2.142) 6.152 8.922 ( -5.182 2.992 -4.458) 7.461 8.977 ( -2.258 2.737 -0.976) 3.680 9.147 ( 1.183 -2.798 -0.399) 3.064 9.213 ( -1.672 -6.523 0.412) 6.746 9.333 ( -4.732 -1.571 2.345) 5.510 9.363 ( -4.379 6.341 3.710) 8.553 9.550 ( 5.429 -5.477 0.570) 7.733 9.621 ( 4.430 -0.917 -0.610) 4.565 9.702 ( -0.291 -7.233 -3.417) 8.005 9.755 ( 9.593 0.859 -2.850) 10.045 10.180 ( -1.315 1.545 1.508) 2.528 10.303 ( -0.975 0.880 -0.552) 1.425 10.354 ( 2.048 0.880 -0.167) 2.235 10.382 ( 1.272 -1.513 8.391) 8.621 10.500 ( 6.130 0.756 2.512) 6.668 10.793 ( -1.433 -2.317 -5.996) 6.586 11.042 ( 1.617 -9.303 -0.813) 9.477 11.261 ( 7.735 -4.197 -3.449) 9.452 11.444 ( -3.294 8.950 0.877) 9.577 11.726 ( 5.175 -0.152 -2.652) 5.817 11.942 ( 0.631 -1.082 -3.875) 4.072 12.126 ( -0.172 1.190 2.759) 3.010 12.171 ( -1.856 -1.948 4.865) 5.559 12.406 ( -7.197 -0.874 5.988) 9.403 12.853 ( 6.135 -0.857 -9.061) 10.976 12.893 ( -0.536 0.261 -5.061) 5.096 13.468 ( 0.128 1.156 3.786) 3.961 13.588 ( 1.637 0.339 3.368) 3.760 13.802 ( -2.852 -0.427 -0.911) 3.025 14.013 ( 4.836 -2.634 -0.601) 5.540 14.206 ( -1.870 4.751 8.244) 9.697 14.515 ( 2.567 -3.479 4.350) 6.134 14.651 ( -12.876 -2.445 -9.691) 16.300 14.683 ( 0.824 -3.929 0.364) 4.031 16.068 ( -4.961 5.547 1.079) 7.520 16.084 ( -1.371 -0.769 2.584) 3.025 16.296 ( 0.776 0.381 -4.791) 4.869 16.570 ( 12.744 -7.586 1.328) 14.890 17.115 ( 2.229 9.827 3.605) 10.703 17.150 ( -1.553 5.611 1.310) 5.968 17.450 ( -9.438 5.350 -2.585) 11.153 18.137 ( -16.280 -3.556 4.667) 17.305 18.365 ( 12.835 0.643 -7.931) 15.102 18.633 ( -0.012 -2.561 5.039) 5.653 18.670 ( 2.446 -0.095 -6.557) 6.999 18.910 ( 2.108 -9.989 0.923) 10.251 19.792 ( -3.020 3.022 1.245) 4.450 19.954 ( -0.830 3.686 -0.018) 3.778 20.055 ( 2.254 1.786 2.447) 3.777 20.368 ( 0.441 0.746 -4.538) 4.620 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 9.705 9.487 13.612) 19.222 2.611 ( 10.955 12.882 15.168) 22.716 2.704 ( -5.751 4.250 9.253) 11.694 2.760 ( -3.508 11.537 -11.518) 16.676 3.071 ( -4.975 14.753 -12.131) 19.737 3.157 ( -4.196 5.857 -8.704) 11.299 3.210 ( -14.906 4.133 2.988) 15.755 3.600 ( 5.989 6.113 -4.432) 9.637 3.778 ( 3.158 3.611 -4.662) 6.689 3.870 ( 7.800 0.525 -3.150) 8.428 3.925 ( 2.965 1.144 0.079) 3.179 4.122 ( -0.642 10.442 2.017) 10.655 4.142 ( 4.694 1.237 -5.287) 7.178 4.265 ( 6.577 4.436 8.586) 11.690 4.424 ( 8.880 13.541 2.840) 16.440 4.534 ( 8.279 -2.782 10.462) 13.628 4.681 ( -7.100 2.858 -4.265) 8.762 4.717 ( 4.196 7.093 0.774) 8.278 4.875 ( -2.879 0.133 2.256) 3.660 4.938 ( 2.151 9.645 -6.054) 11.589 5.013 ( 0.116 0.056 -6.171) 6.173 5.174 ( -5.779 -0.809 0.354) 5.846 5.212 ( 4.398 1.190 5.888) 7.445 5.327 ( 2.908 -2.335 -1.208) 3.920 5.390 ( -3.130 2.527 -0.315) 4.034 5.462 ( -0.502 2.803 -3.156) 4.251 5.525 ( -7.168 1.704 -4.848) 8.820 5.791 ( -6.292 -8.919 -3.671) 11.516 5.824 ( -6.150 -1.179 -2.006) 6.575 5.901 ( 3.468 2.607 -1.889) 4.732 5.990 ( 2.302 -0.605 3.090) 3.900 6.123 ( -1.154 -8.953 8.763) 12.581 6.164 ( 4.700 -4.680 2.314) 7.025 6.348 ( 3.194 -1.112 4.697) 5.789 6.373 ( -3.072 -7.650 -3.165) 8.831 6.471 ( -2.139 -1.830 2.153) 3.544 6.624 ( -5.759 -2.973 -1.767) 6.718 6.682 ( -0.343 -1.945 -1.988) 2.803 6.780 ( -0.213 -5.862 -1.141) 5.976 6.907 ( 0.180 -8.724 -3.247) 9.311 6.929 ( -5.883 7.211 0.568) 9.323 7.025 ( -1.509 -5.490 0.006) 5.694 7.249 ( 5.428 -2.685 -6.886) 9.170 7.294 ( -7.503 4.719 4.729) 10.046 7.413 ( -1.041 0.213 2.387) 2.613 7.417 ( -2.699 -3.745 6.924) 8.322 7.609 ( -1.298 -1.025 1.787) 2.435 7.649 ( -0.587 -0.322 3.746) 3.805 7.733 ( 2.420 -4.300 -3.502) 6.051 7.859 ( 4.094 -2.202 -2.318) 5.195 7.984 ( -3.613 -2.346 -0.534) 4.341 7.995 ( 2.171 -1.250 -4.034) 4.749 8.043 ( 4.982 -3.654 1.505) 6.359 8.252 ( -0.667 -3.044 11.038) 11.469 8.346 ( 3.200 -1.849 1.501) 3.989 8.492 ( -4.076 1.745 -0.057) 4.434 8.708 ( -2.488 -6.731 0.256) 7.181 8.795 ( -4.208 0.738 -0.480) 4.299 8.881 ( 1.145 3.719 0.483) 3.921 8.980 ( -0.002 6.734 2.587) 7.213 9.161 ( 0.247 -5.589 -1.837) 5.888 9.192 ( -0.945 -4.008 -0.943) 4.225 9.260 ( -2.841 -0.284 0.203) 2.863 9.331 ( -0.564 3.641 -1.688) 4.053 9.568 ( 0.485 -10.525 -2.242) 10.772 9.687 ( 3.136 1.681 -0.352) 3.575 9.713 ( 1.766 -2.699 1.090) 3.405 9.928 ( 9.177 -0.885 -1.250) 9.304 10.193 ( 0.271 2.230 2.502) 3.363 10.252 ( -1.663 3.478 -0.548) 3.894 10.423 ( 3.984 1.154 1.337) 4.358 10.535 ( 5.245 -2.873 5.477) 8.109 10.571 ( -0.276 1.574 1.454) 2.161 10.733 ( 0.087 0.558 -4.453) 4.489 10.984 ( -3.015 -6.777 -6.070) 9.585 11.298 ( -4.654 2.836 2.022) 5.813 11.477 ( 8.262 -0.915 -4.401) 9.405 11.781 ( 4.532 -3.431 -5.008) 7.575 11.856 ( -2.476 2.524 -5.254) 6.333 12.155 ( 2.131 -4.132 -2.385) 5.225 12.194 ( -3.351 -2.998 9.171) 10.214 12.391 ( -2.056 -2.262 9.485) 9.966 12.803 ( 0.560 -1.820 -4.891) 5.249 12.971 ( 5.671 -1.697 -0.838) 5.979 13.481 ( 0.362 0.497 -0.511) 0.799 13.585 ( -1.743 1.893 -1.998) 3.258 13.802 ( -1.028 -7.251 2.282) 7.671 14.068 ( 4.916 2.881 3.792) 6.844 14.292 ( -14.299 -1.996 -10.254) 17.709 14.333 ( 5.544 3.859 4.538) 8.138 14.535 ( -1.477 -2.097 0.767) 2.677 14.704 ( -2.833 -3.869 1.954) 5.178 15.987 ( -3.387 5.588 0.836) 6.587 16.101 ( -0.393 2.126 2.861) 3.586 16.286 ( 2.365 0.784 -3.790) 4.536 16.722 ( 5.748 -6.004 -6.869) 10.783 17.101 ( -4.504 10.231 3.244) 11.640 17.228 ( 3.890 4.520 5.715) 8.260 17.308 ( -0.638 4.467 -4.644) 6.475 17.866 ( -16.194 -0.373 4.182) 16.729 18.476 ( 6.038 -1.620 -6.351) 8.912 18.616 ( 1.461 0.411 -7.954) 8.097 18.740 ( 3.394 -3.666 5.332) 7.306 18.939 ( -1.140 -8.782 3.362) 9.472 19.771 ( 0.184 1.478 0.613) 1.611 19.893 ( -4.739 0.747 0.813) 4.866 20.167 ( 6.819 2.852 0.927) 7.450 20.342 ( -1.027 1.544 -1.226) 2.223 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 10.110 2.515 3.361) 10.947 2.447 ( -17.816 15.324 -9.158) 25.221 2.495 ( -27.346 6.360 13.316) 31.074 2.864 ( 5.566 8.383 -6.816) 12.154 3.046 ( 10.004 12.818 -3.168) 16.566 3.128 ( 11.641 11.931 14.440) 22.054 3.265 ( 11.486 5.842 2.849) 13.198 3.625 ( -7.627 -2.887 -10.628) 13.396 3.742 ( 7.860 11.903 -2.859) 14.548 3.879 ( -1.254 0.930 -6.513) 6.698 4.009 ( -8.366 6.894 -5.260) 12.050 4.034 ( 3.819 8.815 4.741) 10.712 4.179 ( -0.229 -1.703 -2.770) 3.260 4.389 ( 0.751 -0.961 2.829) 3.081 4.411 ( -10.759 2.737 -0.970) 11.144 4.515 ( -12.969 13.905 -2.726) 19.208 4.701 ( 9.976 2.171 3.672) 10.850 4.808 ( 0.833 -0.570 -4.605) 4.714 4.840 ( 0.403 1.077 -2.326) 2.595 4.907 ( -2.999 2.295 -4.322) 5.740 4.971 ( -6.097 0.518 4.857) 7.812 5.166 ( 3.840 6.298 -1.459) 7.519 5.205 ( 7.527 6.185 4.637) 10.790 5.355 ( 0.683 -0.804 -6.575) 6.659 5.406 ( 2.541 2.684 6.889) 7.818 5.473 ( 7.900 -0.199 -2.551) 8.304 5.521 ( 0.139 -0.471 -2.102) 2.159 5.615 ( -4.455 -5.759 -5.076) 8.876 5.811 ( 3.502 1.674 0.804) 3.963 5.891 ( -4.534 4.358 6.925) 9.355 6.095 ( 3.415 -6.759 -0.705) 7.605 6.185 ( -2.742 -5.150 11.015) 12.465 6.228 ( -2.765 -7.753 -1.138) 8.310 6.278 ( 3.087 -1.221 1.175) 3.522 6.417 ( -4.514 -1.500 4.631) 6.638 6.508 ( 5.664 -4.534 -0.908) 7.312 6.573 ( 4.210 -3.517 -4.177) 6.895 6.656 ( -1.513 -4.674 1.521) 5.143 6.723 ( -3.892 -6.159 -3.861) 8.246 6.831 ( -4.541 0.119 -3.637) 5.819 6.892 ( 5.640 1.414 0.521) 5.838 7.064 ( 0.253 -9.122 3.437) 9.751 7.167 ( -2.061 3.829 -4.487) 6.249 7.315 ( 6.150 -5.868 -8.757) 12.204 7.380 ( -2.690 -1.721 -0.052) 3.193 7.455 ( -5.899 -4.825 16.200) 17.903 7.521 ( -5.290 2.624 -4.179) 7.234 7.717 ( 1.782 -4.225 5.263) 6.980 7.784 ( 4.570 0.234 -0.113) 4.578 7.894 ( -0.680 -4.933 1.421) 5.178 7.964 ( 0.919 1.795 1.900) 2.771 8.025 ( 3.231 0.381 0.310) 3.269 8.188 ( 2.818 -1.659 6.666) 7.425 8.240 ( -4.339 1.373 1.922) 4.941 8.374 ( 0.241 -4.616 2.200) 5.119 8.507 ( -1.037 -0.546 6.174) 6.284 8.630 ( -1.709 -4.757 -3.322) 6.049 8.813 ( 3.319 -2.541 3.646) 5.546 8.887 ( -0.119 3.031 0.363) 3.055 8.968 ( -2.981 6.416 1.700) 7.276 9.138 ( 0.228 -3.750 -3.755) 5.312 9.158 ( -0.775 -7.400 -4.430) 8.659 9.202 ( -0.307 2.092 -2.364) 3.172 9.325 ( -0.319 1.876 -1.301) 2.305 9.611 ( 4.002 -11.061 2.129) 11.954 9.712 ( -0.005 -0.567 -1.217) 1.342 9.733 ( -1.634 0.523 2.272) 2.847 10.035 ( 3.330 -1.739 -1.431) 4.020 10.204 ( -2.752 3.944 3.334) 5.852 10.249 ( 1.340 2.729 2.214) 3.761 10.495 ( 1.975 1.895 -0.345) 2.759 10.525 ( -4.237 -0.368 1.048) 4.380 10.545 ( -7.442 -3.245 -3.379) 8.794 10.742 ( 3.747 1.666 -1.357) 4.319 10.933 ( 4.401 -3.612 -3.159) 6.511 11.211 ( -2.515 5.021 -4.225) 7.028 11.562 ( 2.727 -3.773 -1.484) 4.887 11.770 ( 2.891 0.209 -5.357) 6.090 11.854 ( 3.361 -0.509 -3.183) 4.657 12.091 ( -4.913 -10.870 -5.618) 13.185 12.234 ( -2.939 1.597 11.044) 11.540 12.455 ( -1.680 -2.532 9.502) 9.977 12.835 ( 5.073 -2.478 0.292) 5.653 13.031 ( 2.015 -5.075 -0.071) 5.460 13.469 ( -1.013 0.327 -2.292) 2.527 13.549 ( 0.023 1.515 -3.542) 3.852 13.767 ( -1.562 -10.152 0.940) 10.315 13.977 ( -9.752 -2.631 -7.733) 12.721 14.295 ( 11.919 9.799 5.268) 16.305 14.431 ( 2.415 0.225 1.249) 2.728 14.466 ( -7.083 -1.019 -0.067) 7.156 14.637 ( -1.511 0.026 -2.580) 2.990 15.977 ( 0.301 5.657 2.358) 6.137 16.112 ( -1.057 1.806 2.580) 3.322 16.310 ( 3.102 0.947 -2.122) 3.876 16.661 ( -2.105 -3.833 -11.550) 12.350 17.046 ( -3.645 11.024 2.070) 11.795 17.308 ( 3.228 5.630 -1.432) 6.646 17.391 ( 5.348 0.626 7.058) 8.877 17.655 ( -8.159 1.604 0.696) 8.344 18.498 ( 2.792 -0.866 -5.075) 5.857 18.555 ( -0.114 0.401 -7.581) 7.593 18.859 ( 3.721 -5.797 5.663) 8.917 18.926 ( -3.293 -7.534 2.720) 8.661 19.807 ( 1.076 0.781 0.767) 1.535 19.820 ( -1.929 -0.068 0.488) 1.991 20.265 ( -1.220 2.163 1.085) 2.710 20.324 ( 3.264 1.195 0.270) 3.486 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -25.700 22.551 3.236) 34.344 2.085 ( -22.880 17.168 6.717) 29.383 2.566 ( 12.064 2.307 4.122) 12.956 3.021 ( 9.998 8.228 -1.548) 13.040 3.142 ( 2.329 1.605 -10.130) 10.517 3.381 ( 0.216 19.335 -8.630) 21.175 3.438 ( -2.603 7.921 0.886) 8.385 3.563 ( 3.886 9.983 4.970) 11.809 3.629 ( 0.807 5.267 6.955) 8.762 3.722 ( -3.008 0.203 -6.747) 7.390 3.903 ( 1.015 4.379 -8.099) 9.263 4.083 ( -2.240 0.372 -2.896) 3.680 4.135 ( -2.772 4.997 2.060) 6.075 4.280 ( -4.163 7.958 10.770) 14.023 4.373 ( 0.309 20.208 1.492) 20.265 4.440 ( 2.868 -3.037 1.898) 4.588 4.662 ( -7.707 3.562 -4.097) 9.427 4.741 ( -2.237 -5.644 -6.775) 9.098 4.857 ( -4.841 -3.301 2.284) 6.289 4.866 ( 4.881 -3.909 4.498) 7.703 5.002 ( 3.587 0.959 -2.722) 4.604 5.251 ( 1.720 2.239 1.926) 3.418 5.278 ( -2.753 -0.437 -4.177) 5.022 5.365 ( -3.579 -2.649 -6.469) 7.854 5.428 ( 1.708 -0.865 -1.563) 2.472 5.480 ( 1.483 -2.751 1.281) 3.378 5.586 ( 3.020 -0.476 0.185) 3.063 5.608 ( 11.353 -2.028 -3.335) 12.005 5.810 ( -7.988 0.831 1.689) 8.207 5.909 ( 2.191 0.672 5.293) 5.768 6.053 ( -5.615 -3.522 2.634) 7.133 6.138 ( -2.121 -0.560 1.864) 2.879 6.268 ( -0.856 -2.928 -1.328) 3.328 6.341 ( 0.772 -1.801 1.481) 2.456 6.486 ( 1.333 -3.775 10.184) 10.942 6.553 ( 4.025 -3.775 -5.430) 7.742 6.606 ( -2.489 -4.849 6.720) 8.653 6.686 ( 9.002 -4.031 -3.059) 10.327 6.763 ( 2.299 -4.429 2.247) 5.473 6.777 ( 8.864 1.860 -3.746) 9.802 6.968 ( 1.544 2.445 -3.306) 4.392 7.024 ( -4.897 -3.929 -4.039) 7.465 7.151 ( 2.260 2.203 -1.677) 3.575 7.316 ( -8.978 -0.567 3.282) 9.576 7.324 ( 3.504 -7.988 -3.346) 9.342 7.390 ( 3.762 -2.685 -4.523) 6.466 7.577 ( 3.706 1.791 7.952) 8.955 7.768 ( 1.125 -10.599 -1.092) 10.714 7.850 ( -0.429 -0.060 4.019) 4.043 7.893 ( -0.794 1.667 2.476) 3.089 7.989 ( -1.490 0.834 2.938) 3.399 8.057 ( -0.531 -0.081 0.139) 0.555 8.169 ( -3.275 0.094 2.672) 4.228 8.230 ( -3.965 -1.185 0.486) 4.166 8.427 ( -3.780 -5.155 12.712) 14.229 8.500 ( 1.349 -2.166 -1.572) 2.997 8.661 ( 5.518 0.283 -1.408) 5.702 8.869 ( -2.368 -3.102 0.730) 3.970 8.902 ( -0.045 4.825 -0.390) 4.841 8.973 ( 4.140 2.794 3.187) 5.925 9.102 ( 1.665 -1.492 -1.667) 2.789 9.141 ( 2.080 -3.996 -5.077) 6.787 9.192 ( 0.518 0.618 -1.254) 1.491 9.298 ( -0.128 -0.378 -0.242) 0.467 9.652 ( -2.624 -5.664 -2.479) 6.716 9.659 ( -4.142 -5.470 -1.383) 6.999 9.728 ( -1.163 -3.305 4.487) 5.692 10.013 ( -3.708 -4.973 -0.485) 6.222 10.183 ( -2.353 4.984 3.821) 6.707 10.292 ( -3.665 0.103 -1.082) 3.823 10.361 ( -2.959 -1.900 2.165) 4.130 10.450 ( -4.092 1.887 2.206) 5.017 10.501 ( -1.963 1.830 -2.252) 3.503 10.780 ( 3.937 -4.582 -4.951) 7.811 11.001 ( 1.395 -1.613 -1.537) 2.629 11.205 ( 8.112 8.461 -3.909) 12.357 11.520 ( -5.668 -4.318 -1.769) 7.341 11.780 ( -2.937 -4.781 -4.561) 7.231 11.869 ( 4.835 2.438 -3.260) 6.321 11.962 ( -1.519 -4.419 -3.911) 6.094 12.252 ( -5.352 0.921 8.648) 10.212 12.497 ( -2.302 -1.348 9.161) 9.542 12.921 ( 2.974 -1.585 -1.548) 3.709 13.096 ( 4.157 -8.157 2.591) 9.514 13.403 ( -3.517 2.288 -1.928) 4.618 13.473 ( -3.268 -1.102 -4.688) 5.820 13.807 ( 3.361 -6.370 0.765) 7.243 13.869 ( 3.504 -3.491 -1.478) 5.162 14.206 ( -12.203 5.965 -2.185) 13.757 14.436 ( -2.059 -2.619 -0.495) 3.368 14.603 ( 5.432 3.270 -2.884) 6.966 14.687 ( 13.615 4.982 5.851) 15.634 16.000 ( -0.283 3.511 1.140) 3.702 16.125 ( 0.141 1.790 2.877) 3.392 16.344 ( 1.356 -1.190 -1.463) 2.322 16.479 ( -6.022 -1.423 -9.841) 11.625 17.015 ( -1.032 11.235 0.395) 11.289 17.295 ( -5.796 4.049 3.270) 7.790 17.554 ( 9.061 3.403 0.844) 9.716 17.638 ( 4.664 3.325 0.641) 5.764 18.482 ( 0.352 -0.082 -5.859) 5.870 18.511 ( 1.954 -0.262 -3.768) 4.252 18.876 ( -3.736 -6.598 1.100) 7.661 18.951 ( 0.456 -8.366 4.534) 9.527 19.765 ( -1.636 1.065 0.436) 2.000 19.886 ( 3.909 0.524 0.714) 4.008 20.184 ( -6.472 2.414 0.988) 6.978 20.418 ( 4.548 -0.750 0.267) 4.617 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -19.486 22.560 21.654) 36.845 1.842 ( -9.847 30.291 8.761) 33.034 2.680 ( -6.532 7.818 -1.848) 10.354 2.973 ( -0.098 24.240 2.447) 24.363 3.127 ( 2.613 11.368 -4.124) 12.372 3.246 ( -0.144 7.239 -5.377) 9.018 3.462 ( 3.982 3.849 -5.303) 7.668 3.599 ( 0.645 -2.627 -8.942) 9.342 3.660 ( -2.531 8.142 0.839) 8.568 3.770 ( 5.360 7.287 -1.418) 9.156 3.972 ( 7.915 4.894 2.517) 9.640 4.023 ( -3.783 2.079 -1.120) 4.459 4.109 ( 2.484 0.816 3.199) 4.132 4.332 ( -7.817 -1.914 0.116) 8.048 4.416 ( 3.321 8.218 4.115) 9.772 4.468 ( -1.061 7.823 4.347) 9.012 4.645 ( 8.311 1.532 -11.221) 14.047 4.724 ( 6.269 -3.057 3.915) 7.998 4.746 ( -2.191 2.098 -0.177) 3.038 5.013 ( -2.630 0.365 0.935) 2.815 5.050 ( -3.690 -6.445 4.586) 8.729 5.122 ( -0.154 -2.427 2.257) 3.318 5.149 ( -2.515 -5.059 -5.922) 8.185 5.217 ( -8.347 -2.945 -4.199) 9.797 5.306 ( -4.453 0.304 -4.075) 6.044 5.515 ( -12.007 -2.305 3.689) 12.771 5.676 ( 5.599 2.429 3.488) 7.029 5.762 ( 2.207 -3.544 1.053) 4.306 5.784 ( 6.021 -0.779 -1.593) 6.276 5.950 ( 2.046 -2.753 1.119) 3.608 6.064 ( 1.362 1.110 5.081) 5.377 6.134 ( 1.142 -0.298 -3.350) 3.552 6.239 ( 2.065 0.020 -1.213) 2.395 6.321 ( -4.267 -0.455 3.790) 5.725 6.446 ( -9.657 -6.335 3.513) 12.072 6.631 ( 3.187 -0.440 -5.825) 6.654 6.664 ( 3.263 -7.906 4.525) 9.676 6.744 ( 0.277 -1.474 -6.368) 6.542 6.816 ( -2.151 -1.749 3.146) 4.193 6.905 ( 9.262 -6.358 1.097) 11.288 6.958 ( 4.713 -1.957 -4.285) 6.664 7.024 ( 6.582 4.132 -2.415) 8.138 7.188 ( -3.423 1.366 5.984) 7.027 7.216 ( 5.712 -3.411 -3.168) 7.369 7.385 ( -1.079 -3.434 0.815) 3.691 7.457 ( 8.136 -1.034 -4.608) 9.407 7.700 ( -0.086 -0.953 2.695) 2.859 7.776 ( 3.791 -7.433 -2.781) 8.795 7.790 ( -6.025 -4.532 0.531) 7.558 7.896 ( -2.874 1.128 2.613) 4.045 7.953 ( -6.177 -3.049 -4.765) 8.376 8.009 ( -2.386 -1.687 2.333) 3.739 8.133 ( -0.535 3.651 2.640) 4.537 8.181 ( -2.259 4.101 4.112) 6.231 8.425 ( -2.384 0.296 1.332) 2.747 8.544 ( -0.470 -2.647 6.659) 7.181 8.694 ( -10.404 6.448 -3.408) 12.706 8.750 ( 1.459 -1.612 2.180) 3.079 8.977 ( 6.283 -1.074 -1.633) 6.580 9.056 ( 2.543 0.933 -1.518) 3.105 9.145 ( 2.629 3.053 -0.089) 4.031 9.179 ( 5.301 -9.365 0.600) 10.778 9.227 ( 4.304 0.348 -0.312) 4.329 9.337 ( 2.210 -2.153 2.747) 4.132 9.530 ( -8.612 -3.767 -1.322) 9.492 9.562 ( -2.154 -7.417 -2.785) 8.210 9.703 ( -3.472 0.048 0.836) 3.572 9.934 ( -5.043 -8.283 -0.491) 9.710 10.158 ( -2.091 0.547 0.171) 2.169 10.215 ( -1.862 1.592 3.967) 4.663 10.360 ( -4.291 1.951 1.625) 4.986 10.382 ( -4.003 2.479 -2.761) 5.458 10.467 ( -0.685 -1.380 5.026) 5.257 10.823 ( 5.564 -6.961 -3.380) 9.531 10.966 ( -0.933 1.046 -5.056) 5.246 11.335 ( -2.866 5.061 -3.620) 6.851 11.395 ( 4.162 -0.665 2.641) 4.974 11.662 ( -3.262 -2.226 -3.978) 5.606 11.898 ( -0.467 1.147 -0.838) 1.496 11.995 ( 8.325 -0.776 -4.692) 9.588 12.207 ( -6.754 2.085 7.539) 10.335 12.531 ( -2.902 -2.437 7.266) 8.194 12.926 ( 1.563 -0.303 -6.205) 6.406 13.123 ( -3.421 -3.742 -2.363) 5.593 13.343 ( -1.736 -1.555 2.422) 3.361 13.454 ( 4.590 2.757 0.052) 5.354 13.811 ( -3.397 0.529 -1.170) 3.631 14.030 ( 4.636 -5.499 2.270) 7.542 14.053 ( 3.112 2.612 2.850) 4.963 14.363 ( -5.494 -4.828 1.046) 7.388 14.635 ( 2.927 3.896 -3.635) 6.079 14.987 ( 10.305 -1.299 0.357) 10.393 16.031 ( 4.567 1.258 2.079) 5.173 16.140 ( -1.544 2.476 1.017) 3.090 16.252 ( -7.004 -2.318 -1.243) 7.482 16.379 ( -0.163 1.573 -2.669) 3.103 17.015 ( 0.888 11.025 -0.099) 11.061 17.217 ( -4.775 4.322 2.842) 7.040 17.690 ( -2.233 0.862 8.148) 8.492 17.796 ( 19.021 9.204 -10.025) 23.388 18.446 ( 0.050 -1.237 -3.122) 3.358 18.531 ( 2.691 -0.884 -1.307) 3.120 18.820 ( -2.760 -6.017 -0.246) 6.625 18.933 ( -5.385 -10.401 1.531) 11.812 19.773 ( 1.768 2.550 0.680) 3.177 19.951 ( 1.925 2.458 0.441) 3.153 20.077 ( -5.897 2.022 2.055) 6.564 20.466 ( 1.633 -2.988 -3.144) 4.634 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -7.788 18.334 19.980) 28.213 2.541 ( 7.578 21.575 8.836) 24.515 2.582 ( -5.378 -2.226 7.017) 9.117 3.136 ( 2.308 -5.104 2.058) 5.968 3.330 ( 3.434 7.221 -0.330) 8.003 3.449 ( 4.493 0.581 -11.416) 12.282 3.545 ( -4.937 8.565 -5.495) 11.311 3.670 ( -2.691 -1.000 -3.170) 4.277 3.736 ( -2.754 3.689 -8.185) 9.390 3.853 ( -5.278 -1.733 -6.940) 8.890 3.983 ( 4.829 3.205 -3.635) 6.841 4.090 ( 3.737 4.148 0.497) 5.605 4.202 ( 4.742 15.411 3.911) 16.592 4.356 ( 0.071 -0.200 2.353) 2.363 4.477 ( -4.496 -3.266 -2.288) 6.010 4.662 ( -5.590 6.720 1.601) 8.886 4.735 ( 2.435 2.222 -1.435) 3.596 4.797 ( 8.043 11.182 0.612) 13.787 4.902 ( -2.772 0.252 -1.127) 3.003 4.932 ( 4.993 -0.142 -3.929) 6.355 5.002 ( 0.948 2.890 6.557) 7.228 5.054 ( 2.344 -3.760 8.134) 9.262 5.178 ( -0.254 1.973 0.664) 2.097 5.225 ( 0.379 0.358 -0.925) 1.062 5.292 ( -3.570 4.296 0.080) 5.586 5.358 ( 3.667 4.724 3.392) 6.875 5.477 ( -0.481 -9.381 1.784) 9.561 5.775 ( 0.974 -3.146 -0.067) 3.294 5.864 ( 4.246 1.694 -4.165) 6.184 5.929 ( -5.947 -7.900 1.656) 10.026 6.033 ( -0.484 -5.908 -1.521) 6.120 6.052 ( -4.747 -5.663 2.701) 7.868 6.150 ( -0.386 8.462 2.993) 8.984 6.283 ( -3.860 -2.291 -0.219) 4.494 6.341 ( -5.907 -5.687 -5.685) 9.978 6.532 ( -3.422 -2.871 -3.204) 5.497 6.642 ( -1.821 -1.215 2.835) 3.582 6.679 ( 3.026 -4.247 0.834) 5.281 6.754 ( -0.182 5.627 0.775) 5.683 6.888 ( 4.001 -2.901 8.110) 9.497 7.120 ( 2.722 0.041 -8.391) 8.821 7.154 ( 5.904 3.890 1.194) 7.170 7.200 ( 3.106 -7.234 2.849) 8.372 7.272 ( -1.011 0.617 7.106) 7.204 7.319 ( -0.559 -7.466 1.705) 7.679 7.433 ( -0.775 -1.722 -0.153) 1.895 7.527 ( 3.813 -2.028 2.689) 5.088 7.632 ( -2.726 -1.265 -3.288) 4.454 7.705 ( 0.523 -6.439 2.770) 7.029 7.838 ( -6.534 5.136 -4.773) 9.584 7.935 ( 3.242 3.320 -1.008) 4.749 8.007 ( 1.807 2.783 -3.137) 4.566 8.097 ( -7.327 -3.506 -7.994) 11.397 8.190 ( -3.586 0.151 -2.221) 4.220 8.437 ( 0.658 -4.011 1.599) 4.368 8.493 ( -8.460 3.674 0.333) 9.229 8.681 ( 0.195 -4.036 -4.322) 5.917 8.763 ( 1.289 2.748 -1.288) 3.297 8.995 ( 3.722 2.006 -1.379) 4.447 9.013 ( -0.373 -3.099 -1.517) 3.470 9.099 ( -2.465 -6.738 -0.692) 7.208 9.195 ( -3.085 -2.498 0.095) 3.970 9.227 ( 2.197 -1.656 3.314) 4.307 9.351 ( 0.680 -0.757 2.414) 2.619 9.429 ( 5.765 0.272 4.085) 7.071 9.508 ( 1.262 -2.583 0.700) 2.959 9.640 ( 0.570 0.194 -0.986) 1.155 9.732 ( 0.164 -3.151 -1.352) 3.432 10.199 ( 1.382 1.385 2.253) 2.984 10.234 ( -2.122 -0.198 3.501) 4.098 10.382 ( 0.087 1.857 0.133) 1.864 10.399 ( -1.918 2.485 1.853) 3.645 10.423 ( -0.231 0.618 0.782) 1.023 10.661 ( 2.434 -10.057 -1.369) 10.438 10.987 ( -0.119 3.812 -3.280) 5.031 11.176 ( -2.398 -4.119 -4.142) 6.315 11.613 ( -0.220 3.492 0.288) 3.511 11.669 ( 5.085 2.692 1.502) 5.946 11.897 ( 3.190 0.890 -2.333) 4.051 12.064 ( 6.624 -3.374 -6.181) 9.668 12.253 ( -6.196 5.218 8.694) 11.883 12.453 ( -6.310 -2.836 7.850) 10.464 12.891 ( 0.303 2.326 -8.171) 8.501 13.003 ( -1.795 -1.061 -7.458) 7.744 13.409 ( 2.032 4.210 6.070) 7.662 13.608 ( -0.889 2.943 2.022) 3.680 13.743 ( 2.158 -5.140 1.683) 5.823 13.911 ( -0.626 -7.061 -0.544) 7.109 14.222 ( 3.584 -1.136 7.111) 8.044 14.255 ( 2.700 -0.188 5.090) 5.764 14.720 ( -0.795 3.882 -5.410) 6.705 14.873 ( -5.718 -3.533 -9.403) 11.558 16.087 ( -1.554 0.451 2.177) 2.713 16.180 ( 6.826 -3.498 5.633) 9.516 16.244 ( -3.441 4.546 1.484) 5.892 16.358 ( -0.037 -0.328 -3.809) 3.823 17.227 ( 1.652 5.861 -0.145) 6.091 17.257 ( -0.773 2.808 0.467) 2.949 17.757 ( -5.580 7.869 3.756) 10.352 18.071 ( 7.903 -4.240 -2.250) 9.247 18.385 ( -2.458 2.120 -2.447) 4.065 18.554 ( 0.896 -1.062 1.336) 1.927 18.666 ( -0.897 -3.980 -2.833) 4.967 18.671 ( 0.575 -7.252 -0.785) 7.317 19.894 ( 0.198 3.606 2.022) 4.139 20.006 ( -0.469 -0.854 2.287) 2.486 20.096 ( -0.804 6.131 -0.616) 6.214 20.350 ( 0.321 -4.802 -4.228) 6.406 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -1.303 16.288 16.532) 23.244 2.614 ( -0.859 -1.211 10.792) 10.894 2.736 ( 1.718 14.226 10.199) 17.589 3.162 ( -2.476 -4.036 -2.574) 5.389 3.272 ( -4.873 9.184 -7.080) 12.579 3.443 ( 1.074 4.795 -3.011) 5.763 3.465 ( -0.008 3.823 -6.756) 7.763 3.538 ( 5.763 2.924 -7.280) 9.734 3.696 ( 5.163 0.175 -4.414) 6.794 3.820 ( 3.034 -4.635 -3.786) 6.709 4.060 ( 6.731 3.799 -2.140) 8.020 4.195 ( -3.330 3.309 -1.810) 5.031 4.249 ( -4.323 4.068 -1.701) 6.175 4.304 ( 4.246 6.164 0.451) 7.498 4.404 ( 1.089 12.146 6.165) 13.665 4.642 ( 3.783 3.685 -1.370) 5.456 4.744 ( -3.806 5.416 2.537) 7.089 4.819 ( -2.089 5.526 2.889) 6.576 4.921 ( -0.403 -3.129 -3.335) 4.590 5.036 ( -0.087 -2.042 -4.899) 5.308 5.049 ( 4.139 0.500 7.315) 8.419 5.103 ( -0.790 1.317 4.736) 4.979 5.213 ( 6.817 -2.884 4.307) 8.563 5.234 ( 1.437 5.070 -0.294) 5.278 5.322 ( 3.876 5.445 -0.771) 6.728 5.484 ( 3.263 2.948 -0.215) 4.402 5.508 ( 1.289 -7.585 -2.947) 8.239 5.745 ( -1.551 -7.229 1.726) 7.592 5.851 ( 0.575 5.758 -4.338) 7.232 5.925 ( -8.307 -6.195 0.252) 10.366 5.932 ( 4.065 -2.762 1.841) 5.249 6.060 ( -0.741 -6.745 0.143) 6.787 6.114 ( -4.764 6.903 -0.451) 8.400 6.185 ( -1.376 -3.066 2.625) 4.264 6.311 ( -0.452 -5.628 3.809) 6.811 6.445 ( -1.827 -3.297 -1.072) 3.919 6.581 ( -2.812 -5.256 0.339) 5.970 6.737 ( -2.610 1.081 3.440) 4.452 6.755 ( 3.139 -3.453 -2.918) 5.504 6.961 ( -4.718 1.066 -6.908) 8.433 7.018 ( -4.023 5.415 1.548) 6.921 7.178 ( -9.413 2.996 2.387) 10.163 7.195 ( 1.896 -2.394 -1.564) 3.431 7.312 ( -0.073 -1.602 7.263) 7.438 7.416 ( -4.551 -1.587 3.827) 6.154 7.434 ( 6.447 -5.653 5.746) 10.321 7.551 ( -2.389 -0.722 0.482) 2.542 7.603 ( 1.922 -0.381 -1.056) 2.226 7.718 ( -0.511 4.707 -6.620) 8.139 7.846 ( 4.192 -5.567 9.944) 12.142 7.890 ( -2.399 -3.472 -9.328) 10.238 7.953 ( 1.680 -0.221 -5.658) 5.907 8.017 ( -6.620 -0.116 -6.427) 9.227 8.057 ( 3.754 2.833 -2.255) 5.216 8.339 ( -2.800 3.892 3.648) 6.025 8.515 ( 0.186 -6.611 2.750) 7.162 8.633 ( -2.043 -6.208 -5.490) 8.535 8.801 ( 2.365 -5.120 -1.642) 5.874 8.949 ( -3.622 -0.192 -0.744) 3.702 9.013 ( -2.581 -6.783 -2.046) 7.541 9.070 ( 2.066 0.572 1.606) 2.679 9.122 ( -1.982 3.217 0.137) 3.781 9.280 ( -3.310 -3.297 2.682) 5.387 9.401 ( 0.378 -5.261 -0.178) 5.277 9.459 ( 0.884 3.545 5.057) 6.238 9.600 ( 1.436 -1.991 1.377) 2.815 9.668 ( 4.445 1.757 -3.602) 5.984 9.754 ( 5.718 -1.239 -1.888) 6.148 10.201 ( -0.466 1.058 1.329) 1.761 10.287 ( 1.934 -2.420 4.117) 5.152 10.388 ( 1.892 2.375 1.420) 3.352 10.395 ( -0.082 2.395 2.645) 3.569 10.520 ( 6.403 1.082 0.143) 6.496 10.682 ( 1.727 -7.029 -3.188) 7.909 10.983 ( 1.107 2.194 -1.589) 2.926 11.166 ( 5.650 -5.042 -2.962) 8.131 11.603 ( -1.414 5.713 -0.963) 5.964 11.734 ( 1.089 -0.056 -0.909) 1.420 11.925 ( 2.446 1.037 -3.975) 4.781 12.082 ( 1.316 -3.785 -5.888) 7.122 12.221 ( -5.849 4.639 9.781) 12.304 12.391 ( -7.971 -1.530 9.172) 12.248 12.855 ( 2.720 1.496 -7.920) 8.507 12.915 ( 0.683 0.799 -4.975) 5.085 13.492 ( -0.532 1.642 4.423) 4.748 13.586 ( -1.036 -0.453 2.656) 2.887 13.761 ( -2.785 -2.154 0.485) 3.554 13.912 ( 2.184 -6.342 0.726) 6.747 14.311 ( 2.141 4.247 7.584) 8.952 14.429 ( 4.006 -3.204 6.547) 8.317 14.613 ( -10.210 -0.861 -11.795) 15.624 14.639 ( -1.633 -1.460 -4.816) 5.291 16.110 ( 0.099 3.111 3.721) 4.851 16.182 ( -2.950 4.860 -0.287) 5.692 16.287 ( 1.186 -1.405 -2.381) 3.008 16.413 ( 7.788 -6.899 2.385) 10.674 17.252 ( 0.224 4.102 0.282) 4.118 17.275 ( 3.086 4.516 0.066) 5.470 17.626 ( -9.794 10.808 0.889) 14.613 18.032 ( -10.721 -6.698 1.571) 12.739 18.393 ( 6.522 2.478 -4.703) 8.414 18.588 ( 0.943 -2.581 2.483) 3.703 18.652 ( 2.048 -1.403 -4.155) 4.840 18.710 ( 3.026 -7.555 0.772) 8.174 19.859 ( -4.304 3.305 1.488) 5.627 19.971 ( -5.076 -1.324 2.003) 5.615 20.141 ( 5.220 5.579 -0.647) 7.668 20.341 ( 2.084 -2.992 -3.233) 4.873 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.114 10.146 8.524) 13.419 2.633 ( -6.698 -6.471 9.910) 13.599 2.814 ( -0.391 8.204 -0.827) 8.255 3.101 ( -1.418 9.602 11.347) 14.932 3.213 ( -0.688 2.853 -3.487) 4.557 3.338 ( -1.994 9.857 -8.395) 13.100 3.370 ( -0.084 10.572 -6.673) 12.502 3.674 ( 3.231 -0.962 -5.807) 6.714 3.782 ( 1.997 -0.741 -0.996) 2.351 3.873 ( 2.731 -1.215 5.973) 6.679 4.028 ( 4.747 8.141 -4.204) 10.319 4.139 ( 3.976 1.608 -0.606) 4.332 4.303 ( 2.692 4.523 -4.798) 7.123 4.429 ( 1.216 11.811 -0.328) 11.878 4.493 ( 12.014 -1.880 -7.862) 14.480 4.619 ( -0.448 5.447 2.309) 5.934 4.680 ( -10.229 -0.802 -0.524) 10.274 4.832 ( 3.303 1.919 5.235) 6.481 4.908 ( 1.378 -0.916 -4.319) 4.626 4.980 ( -1.497 0.863 0.890) 1.944 5.090 ( -6.009 0.487 -2.552) 6.547 5.157 ( 0.149 -0.169 -1.373) 1.392 5.242 ( 7.516 -1.795 0.671) 7.756 5.380 ( 2.376 -2.089 2.667) 4.138 5.432 ( 3.035 8.410 0.522) 8.956 5.461 ( 4.123 3.717 3.680) 6.660 5.498 ( -0.337 -10.118 0.249) 10.127 5.655 ( -9.998 -2.199 -4.554) 11.205 5.773 ( -7.351 -7.293 3.141) 10.821 5.839 ( -3.501 -3.123 0.562) 4.725 5.999 ( 5.702 5.437 3.171) 8.492 6.078 ( 0.878 3.632 2.272) 4.373 6.144 ( 5.757 0.857 4.163) 7.156 6.235 ( 2.257 -3.219 1.613) 4.249 6.358 ( 0.920 1.987 1.478) 2.642 6.423 ( -1.591 -5.767 3.687) 7.027 6.583 ( 0.346 -4.414 0.494) 4.455 6.628 ( -8.648 4.091 -4.208) 10.451 6.756 ( -3.077 -7.371 -0.449) 8.000 6.814 ( -0.403 3.546 -6.728) 7.615 6.892 ( -4.266 3.661 -2.303) 6.074 7.086 ( -2.272 1.510 1.023) 2.914 7.206 ( 0.009 -0.636 -2.708) 2.782 7.296 ( -10.099 -6.189 1.748) 11.973 7.363 ( -3.602 -1.347 3.690) 5.330 7.467 ( -3.039 4.082 2.291) 5.581 7.503 ( -1.439 -4.461 -1.195) 4.837 7.673 ( 2.515 -5.647 -0.949) 6.254 7.711 ( 3.055 4.213 6.894) 8.638 7.789 ( -4.942 5.200 -2.641) 7.645 7.900 ( 6.035 -6.114 -0.445) 8.602 7.959 ( 5.759 -1.520 -2.799) 6.581 8.061 ( 3.598 -0.527 2.670) 4.511 8.188 ( 6.126 1.185 9.772) 11.594 8.360 ( 1.329 2.388 0.463) 2.772 8.494 ( -5.193 -1.808 -1.350) 5.661 8.512 ( -4.320 -12.295 -2.470) 13.264 8.777 ( -2.177 -8.066 -0.504) 8.370 8.903 ( -0.423 -4.704 -2.644) 5.413 8.967 ( -0.633 -0.971 0.289) 1.194 9.097 ( -2.488 1.069 1.840) 3.274 9.127 ( -0.387 1.035 1.497) 1.860 9.223 ( -2.289 -2.638 2.060) 4.055 9.394 ( 0.385 -6.136 -1.573) 6.346 9.457 ( -1.906 6.637 -3.161) 7.594 9.629 ( 0.686 -3.298 2.475) 4.180 9.731 ( 5.843 1.349 -4.523) 7.511 9.873 ( 7.488 -3.750 -2.106) 8.635 10.247 ( 2.442 2.556 1.829) 3.980 10.317 ( -0.282 1.523 1.244) 1.987 10.434 ( 1.278 0.064 2.918) 3.187 10.469 ( 2.994 -1.643 1.848) 3.883 10.595 ( 1.851 0.738 -0.923) 2.196 10.683 ( 2.389 -4.425 -3.954) 6.397 10.991 ( 0.477 5.895 -0.160) 5.917 11.259 ( 2.056 -5.010 2.468) 5.951 11.551 ( 0.615 5.273 -5.904) 7.940 11.709 ( 0.744 -3.163 -5.089) 6.038 11.906 ( 0.795 2.347 -5.469) 6.004 12.028 ( -1.605 -4.354 -4.363) 6.369 12.238 ( -2.969 3.165 11.139) 11.954 12.363 ( -5.020 -1.229 11.515) 12.621 12.824 ( 1.730 3.049 -5.015) 6.119 12.937 ( 2.440 -1.581 -1.973) 3.514 13.477 ( -1.361 -0.485 -0.514) 1.534 13.599 ( -1.494 -4.470 2.398) 5.288 13.683 ( -3.654 1.652 -2.619) 4.790 13.991 ( 2.420 -8.113 0.451) 8.478 14.329 ( -4.302 3.630 -7.184) 9.126 14.403 ( 0.821 2.021 2.693) 3.465 14.495 ( -1.187 -0.580 2.391) 2.732 14.620 ( -0.930 -4.280 2.043) 4.833 16.101 ( -1.570 5.239 0.167) 5.472 16.180 ( 0.108 4.511 2.317) 5.072 16.288 ( 1.938 -0.180 -2.316) 3.025 16.545 ( 4.104 -9.489 -0.235) 10.341 17.265 ( 0.357 5.912 1.209) 6.045 17.340 ( 4.108 2.982 -0.940) 5.163 17.472 ( -6.032 11.015 0.268) 12.561 17.820 ( -11.768 -4.160 0.281) 12.485 18.462 ( 4.612 0.830 -3.743) 5.998 18.628 ( 1.108 0.601 -2.191) 2.528 18.653 ( 1.704 -4.774 0.721) 5.120 18.765 ( 0.792 -6.810 2.484) 7.292 19.809 ( -1.609 2.099 0.638) 2.721 19.888 ( -4.908 -1.128 0.993) 5.133 20.237 ( 5.249 3.589 -0.115) 6.360 20.347 ( 0.301 -1.009 -1.171) 1.575 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 4.761 4.265 5.100) 8.177 2.547 ( -12.760 -0.753 10.486) 16.533 2.777 ( -7.054 13.290 -2.246) 15.213 2.979 ( -4.138 2.480 -1.646) 5.098 3.260 ( 4.308 7.749 -7.868) 11.854 3.388 ( 5.042 10.509 10.473) 15.670 3.406 ( 6.530 7.711 1.363) 10.196 3.608 ( -0.666 -0.764 -5.772) 5.860 3.853 ( 4.645 -0.229 -0.026) 4.651 3.932 ( 1.127 4.371 0.905) 4.604 4.050 ( -3.523 -2.133 -5.326) 6.733 4.173 ( -0.097 4.221 -1.265) 4.407 4.279 ( 2.327 5.536 -7.015) 9.234 4.373 ( -0.847 9.425 -1.190) 9.538 4.515 ( -4.808 3.289 2.899) 6.507 4.641 ( 4.339 -4.378 -10.290) 11.995 4.748 ( 6.634 3.917 4.552) 8.949 4.812 ( -8.103 0.673 -5.521) 9.828 4.834 ( -0.653 -3.605 -3.408) 5.003 4.951 ( 2.265 7.287 -2.356) 7.987 5.010 ( -4.185 3.085 2.335) 5.700 5.177 ( 0.217 -6.901 -2.645) 7.393 5.256 ( 0.058 2.388 -2.247) 3.279 5.392 ( 3.527 -1.991 1.410) 4.288 5.394 ( -6.645 -4.336 -4.197) 8.976 5.475 ( -1.294 0.679 0.144) 1.469 5.559 ( 4.731 -3.569 4.878) 7.676 5.635 ( -3.807 7.012 3.877) 8.871 5.748 ( 4.295 -3.348 3.205) 6.319 5.856 ( -0.403 -5.675 7.829) 9.678 6.083 ( -3.113 -2.427 0.670) 4.003 6.124 ( 2.719 8.952 2.644) 9.723 6.190 ( -6.352 2.993 3.896) 8.030 6.245 ( 1.227 -4.427 3.610) 5.842 6.394 ( 1.244 -1.977 1.281) 2.663 6.459 ( 6.459 4.348 -7.117) 10.549 6.503 ( -2.158 -2.898 6.941) 7.825 6.579 ( -0.073 -0.848 -3.029) 3.147 6.676 ( -2.662 -0.225 -1.452) 3.041 6.820 ( 2.471 -9.286 -2.702) 9.981 6.879 ( 2.248 7.871 2.936) 8.696 7.032 ( -2.385 2.240 -6.370) 7.161 7.132 ( -0.873 -7.439 0.348) 7.498 7.189 ( 0.475 -2.945 -9.001) 9.482 7.299 ( -3.572 -3.632 2.189) 5.545 7.451 ( -1.650 -4.416 2.669) 5.417 7.487 ( -3.209 0.786 4.341) 5.455 7.687 ( -2.295 3.364 0.257) 4.080 7.788 ( 4.733 -2.285 5.373) 7.516 7.830 ( 5.249 2.442 1.083) 5.890 8.039 ( 1.979 -0.660 6.093) 6.440 8.044 ( 2.389 1.555 1.909) 3.431 8.131 ( 5.292 1.760 1.048) 5.674 8.265 ( -9.047 -3.494 7.443) 12.225 8.344 ( -5.174 2.180 -0.451) 5.632 8.431 ( 2.150 -5.532 1.625) 6.153 8.510 ( 5.984 -5.461 1.644) 8.266 8.753 ( 0.178 -3.341 0.043) 3.346 8.909 ( 3.951 -11.195 -2.524) 12.137 8.965 ( 0.240 0.946 -0.921) 1.342 9.027 ( -3.380 -0.858 0.988) 3.625 9.125 ( -1.543 2.524 1.203) 3.194 9.218 ( -0.710 -0.378 0.056) 0.806 9.388 ( 1.307 -1.625 -2.738) 3.442 9.420 ( -0.750 -1.805 -1.217) 2.302 9.600 ( -3.246 -6.472 -2.751) 7.745 9.780 ( 2.033 1.934 -3.018) 4.121 9.946 ( 1.945 -5.106 -2.370) 5.956 10.273 ( -1.478 3.007 2.379) 4.109 10.323 ( -0.478 2.269 1.358) 2.688 10.444 ( -3.731 -1.765 -0.394) 4.146 10.497 ( -0.688 -1.123 1.900) 2.312 10.589 ( 0.219 2.593 -2.653) 3.716 10.689 ( 1.545 -3.861 -3.766) 5.610 11.011 ( 1.103 7.350 2.641) 7.888 11.258 ( -1.332 -1.852 0.063) 2.282 11.550 ( 3.325 2.852 -4.874) 6.553 11.707 ( 4.279 -4.098 -5.868) 8.339 11.886 ( 1.198 1.697 -3.777) 4.311 11.950 ( -2.453 -2.916 -3.505) 5.177 12.289 ( -3.476 2.858 11.922) 12.743 12.402 ( -2.872 -2.474 11.711) 12.310 12.849 ( 4.834 2.764 -2.242) 6.002 12.944 ( 1.195 -2.978 -2.605) 4.134 13.453 ( -0.211 -1.240 -1.437) 1.909 13.552 ( -4.684 -5.379 -1.066) 7.212 13.632 ( 2.186 1.899 -2.955) 4.138 13.875 ( -5.881 -6.429 -9.479) 12.876 14.421 ( 7.960 2.309 3.763) 9.102 14.432 ( 0.752 0.204 3.022) 3.121 14.470 ( -3.466 1.742 2.599) 4.670 14.596 ( -0.462 -3.237 -0.621) 3.328 16.099 ( 0.036 5.554 1.157) 5.673 16.184 ( -0.990 4.097 1.098) 4.355 16.308 ( 1.223 -0.299 -0.647) 1.416 16.541 ( -2.039 -7.236 -3.747) 8.400 17.259 ( -2.462 8.492 1.213) 8.925 17.394 ( 2.659 1.627 -1.441) 3.434 17.461 ( 2.397 6.030 2.834) 7.081 17.660 ( -2.925 -1.401 -2.238) 3.941 18.498 ( 2.637 1.378 -2.331) 3.779 18.583 ( -1.414 2.312 -4.314) 5.095 18.723 ( 2.039 -7.250 3.405) 8.265 18.775 ( -1.559 -6.230 1.958) 6.714 19.819 ( 1.939 0.347 0.513) 2.035 19.822 ( -2.866 0.178 0.544) 2.922 20.306 ( -0.327 1.662 0.289) 1.718 20.338 ( 1.835 0.181 -0.299) 1.868 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -19.688 10.627 12.852) 25.801 2.448 ( -8.584 9.852 -1.923) 13.208 2.654 ( 4.904 10.060 5.342) 12.401 3.060 ( 5.212 -2.884 -3.707) 7.016 3.233 ( 2.332 6.413 -6.263) 9.262 3.484 ( 1.981 3.774 -0.296) 4.273 3.550 ( 2.356 -0.256 1.808) 2.981 3.659 ( 8.060 1.947 2.119) 8.558 3.767 ( -3.226 3.073 -1.415) 4.675 3.917 ( -6.950 -0.545 0.190) 6.974 4.061 ( 4.973 6.283 -3.716) 8.833 4.133 ( -0.112 12.903 -2.865) 13.218 4.239 ( -0.077 5.135 -4.661) 6.936 4.407 ( 1.028 6.660 4.559) 8.136 4.477 ( -5.868 7.414 4.964) 10.679 4.593 ( 4.090 -3.091 -12.122) 13.162 4.647 ( -1.238 -1.377 -0.055) 1.852 4.728 ( -8.039 0.543 2.446) 8.420 4.801 ( 0.197 -1.142 -2.366) 2.634 4.929 ( -3.834 4.515 -0.791) 5.976 4.992 ( 4.951 0.241 -7.797) 9.239 5.183 ( -2.109 -5.204 -3.181) 6.454 5.298 ( 5.017 -5.230 -1.770) 7.460 5.357 ( -6.329 5.987 1.880) 8.913 5.378 ( -2.412 -1.437 3.728) 4.667 5.444 ( 0.695 2.272 -0.351) 2.402 5.579 ( -1.580 2.896 1.640) 3.684 5.679 ( 3.492 1.930 -3.096) 5.051 5.718 ( -5.207 -2.068 0.397) 5.616 5.943 ( 1.198 -4.565 9.715) 10.801 6.037 ( -1.802 -1.023 1.320) 2.457 6.141 ( -0.628 0.128 2.567) 2.646 6.171 ( 0.134 -3.434 -0.488) 3.471 6.326 ( -3.748 2.095 4.688) 6.357 6.367 ( -1.755 -8.619 9.223) 12.745 6.477 ( -3.513 2.557 2.603) 5.065 6.566 ( 5.283 -5.156 -1.266) 7.490 6.622 ( 9.037 4.883 -3.858) 10.973 6.683 ( 3.497 -3.082 1.140) 4.799 6.845 ( 2.217 -2.985 -2.880) 4.703 6.916 ( 2.045 -0.839 -4.071) 4.632 7.023 ( 3.150 2.213 -2.527) 4.605 7.118 ( 0.875 -1.981 -5.111) 5.551 7.186 ( 3.350 -10.181 0.349) 10.724 7.285 ( 3.315 -1.544 -1.663) 4.017 7.403 ( -7.722 6.283 4.431) 10.897 7.484 ( 2.268 -10.506 -1.074) 10.802 7.683 ( -0.041 0.592 0.978) 1.144 7.860 ( -3.793 0.519 4.897) 6.215 7.917 ( 1.955 2.478 -0.460) 3.189 8.031 ( -0.969 3.074 -0.097) 3.225 8.101 ( 0.987 2.200 4.311) 4.939 8.144 ( -6.850 -2.522 2.631) 7.759 8.282 ( -1.584 4.825 6.360) 8.139 8.314 ( 7.713 -0.318 4.574) 8.973 8.425 ( -4.122 -6.001 0.446) 7.294 8.675 ( 7.336 0.194 2.267) 7.681 8.792 ( 3.358 -4.507 0.622) 5.655 8.945 ( 1.612 1.163 -4.175) 4.624 9.011 ( 2.896 -7.140 -0.126) 7.706 9.030 ( 4.769 -2.120 2.500) 5.787 9.102 ( -1.551 3.016 1.096) 3.564 9.202 ( -0.270 -0.057 -1.573) 1.597 9.319 ( -3.969 0.630 -4.765) 6.233 9.410 ( -1.767 -9.323 0.233) 9.492 9.520 ( -0.488 -7.092 -3.572) 7.956 9.742 ( -3.285 1.110 -1.571) 3.807 9.889 ( -5.086 -6.077 -2.786) 8.400 10.258 ( -2.624 1.732 3.653) 4.820 10.284 ( -6.164 -0.517 -0.339) 6.195 10.372 ( -0.848 3.306 1.991) 3.951 10.476 ( -3.264 0.594 2.319) 4.048 10.554 ( -2.220 2.373 -3.323) 4.647 10.673 ( 0.767 -4.749 -3.557) 5.983 11.053 ( 0.242 4.922 1.884) 5.276 11.274 ( 2.119 -3.074 0.876) 3.835 11.543 ( 1.495 6.404 -6.042) 8.930 11.704 ( -1.997 -2.198 -3.001) 4.222 11.864 ( 3.545 -1.912 -5.316) 6.670 11.926 ( 1.947 -0.342 -3.128) 3.700 12.306 ( -5.419 3.514 10.040) 11.938 12.450 ( -2.774 -3.054 9.815) 10.647 12.928 ( 4.111 1.215 -3.262) 5.386 12.981 ( 5.446 -2.742 0.234) 6.102 13.429 ( -3.176 0.681 -0.633) 3.310 13.470 ( 0.157 1.044 -2.162) 2.406 13.685 ( 4.472 -4.753 -1.103) 6.619 13.757 ( 2.080 -6.556 -5.348) 8.713 14.298 ( -9.953 3.001 -0.925) 10.437 14.383 ( -5.755 -2.053 -0.295) 6.117 14.651 ( 6.261 1.856 -0.399) 6.543 14.725 ( 12.255 -0.700 6.011) 13.668 16.077 ( -2.888 3.901 0.199) 4.858 16.195 ( 0.571 2.667 0.583) 2.789 16.296 ( -2.543 -0.941 0.083) 2.713 16.452 ( -2.973 -2.358 -2.573) 4.584 17.226 ( -1.209 8.061 -0.208) 8.154 17.353 ( -4.646 1.254 0.055) 4.813 17.589 ( 6.806 2.732 4.359) 8.531 17.709 ( 9.737 1.062 -4.169) 10.645 18.512 ( -0.634 3.124 -3.812) 4.969 18.523 ( 0.262 1.687 -1.170) 2.070 18.732 ( -2.658 -6.756 1.111) 7.344 18.781 ( -0.778 -7.804 2.226) 8.152 19.800 ( 0.186 2.057 0.347) 2.095 19.879 ( 3.675 -1.126 0.751) 3.916 20.251 ( -4.386 3.616 0.128) 5.686 20.384 ( 1.871 -2.358 -0.385) 3.034 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -16.237 17.516 16.339) 28.938 2.381 ( 2.019 14.810 2.059) 15.088 2.697 ( -9.165 4.977 6.014) 12.039 3.076 ( 4.024 -3.934 -1.788) 5.905 3.252 ( 4.764 5.493 -5.011) 8.831 3.485 ( 3.579 -2.633 -9.841) 10.798 3.627 ( 2.959 6.927 2.414) 7.910 3.683 ( -5.627 5.257 1.475) 7.840 3.825 ( -0.936 3.543 1.255) 3.873 3.883 ( 6.334 2.700 5.827) 9.020 3.997 ( -2.916 7.221 -6.198) 9.953 4.097 ( -1.970 1.997 -9.167) 9.587 4.215 ( 0.557 9.085 -3.495) 9.750 4.320 ( -4.619 3.868 1.230) 6.149 4.554 ( 5.174 5.123 1.613) 7.458 4.588 ( -2.314 -2.826 -1.363) 3.898 4.668 ( 8.357 0.448 -2.046) 8.616 4.721 ( 3.772 3.156 0.092) 4.919 4.851 ( 0.335 3.806 -0.235) 3.828 4.901 ( 5.230 -4.867 5.979) 9.315 4.981 ( -2.881 -2.843 -1.236) 4.232 5.110 ( -4.074 5.066 -2.576) 6.993 5.177 ( -3.794 5.175 -0.081) 6.418 5.224 ( -6.329 4.177 -3.047) 8.173 5.375 ( -2.923 5.839 -2.646) 7.045 5.454 ( -10.147 -2.864 -1.736) 10.685 5.487 ( -3.262 -10.275 9.769) 14.548 5.722 ( 8.295 -1.334 -1.645) 8.561 5.776 ( 3.684 -2.293 -1.225) 4.509 5.982 ( -1.620 -4.339 3.812) 5.999 6.082 ( -2.667 -5.683 0.466) 6.295 6.088 ( -1.840 0.222 3.726) 4.162 6.149 ( -3.060 1.471 1.930) 3.905 6.302 ( -1.453 -1.960 3.040) 3.898 6.437 ( 2.553 4.284 0.592) 5.022 6.543 ( 4.050 -1.850 6.346) 7.752 6.585 ( -0.886 -7.387 -1.109) 7.523 6.718 ( -3.277 -1.001 -4.147) 5.380 6.746 ( 0.474 -1.247 0.454) 1.410 6.803 ( 2.328 -1.627 1.362) 3.150 6.985 ( 9.826 4.706 -2.666) 11.216 7.061 ( 6.163 -7.141 -3.806) 10.171 7.123 ( 3.201 -1.718 -2.119) 4.206 7.271 ( 4.161 -6.482 2.282) 8.033 7.292 ( -4.187 4.897 2.096) 6.776 7.410 ( 5.988 -1.898 0.481) 6.300 7.478 ( -1.585 -8.412 -1.734) 8.734 7.683 ( -0.514 -5.880 -0.513) 5.925 7.768 ( -7.326 1.965 1.813) 7.799 7.908 ( -0.832 0.672 0.091) 1.073 8.009 ( -5.012 5.846 -0.325) 7.708 8.022 ( -2.825 1.153 -2.949) 4.243 8.182 ( 0.469 -0.462 5.102) 5.144 8.282 ( -5.019 -1.120 -2.237) 5.608 8.366 ( 2.987 -1.356 -1.318) 3.536 8.510 ( 5.018 3.360 7.627) 9.728 8.736 ( -0.661 -1.872 -1.218) 2.329 8.826 ( -3.485 4.090 -0.757) 5.426 8.942 ( 4.080 -1.426 -6.289) 7.631 9.028 ( -0.525 -2.375 0.165) 2.438 9.093 ( -0.147 1.193 2.390) 2.675 9.161 ( 2.309 -3.992 0.956) 4.709 9.199 ( 4.976 -2.380 0.064) 5.516 9.265 ( 2.131 -2.714 0.468) 3.482 9.397 ( -0.084 -3.331 -0.511) 3.371 9.485 ( -0.913 -4.328 -1.737) 4.752 9.677 ( -2.297 -1.639 0.413) 2.852 9.766 ( -4.260 -6.376 -2.011) 7.927 10.184 ( -3.065 2.094 0.762) 3.790 10.249 ( -2.338 0.727 3.743) 4.472 10.395 ( -0.797 1.533 2.656) 3.168 10.435 ( -3.285 2.684 -0.739) 4.306 10.459 ( -3.727 0.452 0.584) 3.800 10.654 ( 0.395 -7.814 -2.788) 8.306 11.040 ( -1.974 4.877 -1.335) 5.428 11.267 ( -4.443 -5.054 0.488) 6.747 11.559 ( 6.195 7.940 -3.089) 10.534 11.638 ( -1.656 0.075 -2.186) 2.744 11.874 ( 1.032 -1.323 -1.873) 2.515 11.978 ( 8.362 -2.038 -6.869) 11.012 12.285 ( -5.799 4.799 8.478) 11.337 12.472 ( -3.664 -3.286 7.832) 9.250 12.945 ( 1.487 1.626 -4.873) 5.347 13.056 ( 1.986 -2.955 -2.604) 4.411 13.369 ( -1.743 4.538 1.123) 4.989 13.524 ( 5.034 4.431 1.925) 6.977 13.728 ( 0.936 -7.222 -0.791) 7.325 13.853 ( 7.101 -10.011 1.690) 12.390 14.142 ( -3.962 4.548 -0.038) 6.032 14.281 ( -4.964 -2.858 0.963) 5.808 14.733 ( 3.409 5.085 -2.316) 6.546 14.929 ( 5.338 -3.745 -0.731) 6.562 16.056 ( 1.168 1.442 2.056) 2.770 16.146 ( -4.182 -2.224 -1.448) 4.953 16.271 ( -2.173 4.195 3.648) 5.969 16.400 ( -1.179 -0.228 -2.253) 2.553 17.214 ( 0.292 6.965 -0.700) 7.007 17.284 ( -2.868 2.058 0.485) 3.563 17.735 ( 3.021 3.715 5.590) 7.360 17.888 ( 13.455 0.201 -4.677) 14.246 18.450 ( -1.445 2.243 -3.805) 4.648 18.534 ( 0.483 1.058 0.489) 1.262 18.692 ( -1.962 -6.009 -0.052) 6.322 18.741 ( -4.467 -7.950 0.064) 9.120 19.837 ( 3.071 3.421 0.817) 4.669 19.956 ( 3.369 -1.478 1.464) 3.960 20.163 ( -4.930 5.475 -0.110) 7.368 20.386 ( -0.303 -4.536 -2.139) 5.024 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -3.844 -12.563 12.374) 18.048 2.371 ( -3.844 12.563 12.374) 18.048 2.964 ( 2.488 -12.733 4.632) 13.776 2.964 ( 2.488 12.733 4.632) 13.776 3.475 ( 5.538 -0.695 -4.410) 7.113 3.475 ( 5.538 0.695 -4.410) 7.113 3.561 ( -6.824 -6.642 -3.472) 10.136 3.561 ( -6.824 6.642 -3.472) 10.136 3.805 ( -3.157 -4.122 -5.966) 7.908 3.805 ( -3.157 4.122 -5.966) 7.908 4.093 ( 3.099 -4.259 -4.404) 6.866 4.093 ( 3.099 4.259 -4.404) 6.866 4.358 ( 1.079 -4.971 -2.266) 5.568 4.358 ( 1.079 4.971 -2.266) 5.568 4.568 ( 3.278 -11.653 1.702) 12.224 4.568 ( 3.278 11.653 1.702) 12.224 4.815 ( 2.140 -6.741 -2.582) 7.529 4.815 ( 2.140 6.741 -2.582) 7.529 4.934 ( 0.302 -2.646 4.920) 5.595 4.934 ( 0.302 2.646 4.920) 5.595 5.079 ( 1.969 -7.786 1.450) 8.161 5.079 ( 1.969 7.786 1.450) 8.161 5.207 ( -4.539 -8.113 4.603) 10.374 5.207 ( -4.539 8.113 4.603) 10.374 5.323 ( 0.967 -3.930 -0.268) 4.056 5.323 ( 0.967 3.930 -0.268) 4.056 5.639 ( 4.565 -11.580 0.062) 12.447 5.639 ( 4.565 11.580 0.062) 12.447 5.823 ( -2.573 -4.267 3.156) 5.898 5.823 ( -2.573 4.267 3.156) 5.898 6.033 ( -0.494 -7.318 -1.743) 7.538 6.033 ( -0.494 7.318 -1.743) 7.538 6.196 ( -5.458 -5.433 -3.387) 8.413 6.196 ( -5.458 5.433 -3.387) 8.413 6.431 ( -1.707 -11.968 -1.605) 12.195 6.431 ( -1.707 11.968 -1.605) 12.195 6.582 ( -4.633 -3.179 2.089) 5.994 6.582 ( -4.633 3.179 2.089) 5.994 6.949 ( 4.930 -8.753 5.310) 11.363 6.949 ( 4.930 8.753 5.310) 11.363 6.968 ( 3.140 -11.229 1.883) 11.811 6.968 ( 3.140 11.229 1.883) 11.811 7.270 ( 3.057 -3.504 4.014) 6.143 7.270 ( 3.057 3.504 4.014) 6.143 7.360 ( -1.954 -8.010 -1.777) 8.434 7.360 ( -1.954 8.010 -1.777) 8.434 7.519 ( 1.471 -2.207 3.286) 4.223 7.519 ( 1.471 2.207 3.286) 4.223 7.790 ( -3.470 -7.480 -3.994) 9.162 7.790 ( -3.470 7.480 -3.994) 9.162 8.027 ( -1.073 -2.217 -3.648) 4.401 8.027 ( -1.073 2.217 -3.648) 4.401 8.107 ( -1.635 -6.934 -0.796) 7.168 8.107 ( -1.635 6.934 -0.796) 7.168 8.442 ( -0.380 -6.694 -5.598) 8.735 8.442 ( -0.380 6.694 -5.598) 8.735 8.735 ( -3.810 -6.341 -5.300) 9.101 8.735 ( -3.810 6.341 -5.300) 9.101 8.981 ( -4.182 -1.716 -1.363) 4.721 8.981 ( -4.182 1.716 -1.363) 4.721 9.091 ( 2.659 -5.744 2.470) 6.794 9.091 ( 2.659 5.744 2.470) 6.794 9.296 ( 4.054 -4.768 2.103) 6.603 9.296 ( 4.054 4.768 2.103) 6.603 9.450 ( 0.491 -2.001 2.453) 3.203 9.450 ( 0.491 2.001 2.453) 3.203 9.673 ( 2.663 -2.314 0.598) 3.579 9.673 ( 2.663 2.314 0.598) 3.579 10.225 ( -1.527 -0.881 2.612) 3.151 10.225 ( -1.527 0.881 2.612) 3.151 10.414 ( -1.358 -0.711 0.221) 1.549 10.414 ( -1.358 0.711 0.221) 1.549 10.493 ( 2.424 -5.821 0.294) 6.313 10.493 ( 2.424 5.821 0.294) 6.313 11.078 ( -2.041 -4.788 -3.679) 6.374 11.078 ( -2.041 4.788 -3.679) 6.374 11.671 ( 1.602 -2.109 1.849) 3.230 11.671 ( 1.602 2.109 1.849) 3.230 11.970 ( 5.957 -5.005 -5.812) 9.711 11.970 ( 5.957 5.005 -5.812) 9.711 12.367 ( -6.383 -5.230 8.944) 12.169 12.367 ( -6.383 5.230 8.944) 12.169 12.952 ( -0.257 -3.192 -6.824) 7.538 12.952 ( -0.257 3.192 -6.824) 7.538 13.552 ( -0.054 -8.093 1.903) 8.314 13.552 ( -0.054 8.093 1.903) 8.314 13.750 ( 1.448 -6.722 2.711) 7.391 13.750 ( 1.448 6.722 2.711) 7.391 14.239 ( 3.319 -1.381 5.218) 6.336 14.239 ( 3.319 1.381 5.218) 6.336 14.800 ( -3.751 -3.634 -7.655) 9.267 14.800 ( -3.751 3.634 -7.655) 9.267 16.117 ( 1.935 -2.363 4.359) 5.323 16.117 ( 1.935 2.363 4.359) 5.323 16.325 ( -1.549 -2.875 -1.912) 3.784 16.325 ( -1.549 2.875 -1.912) 3.785 17.287 ( 0.161 -0.345 0.592) 0.704 17.287 ( 0.161 0.345 0.592) 0.704 17.934 ( 0.308 -8.238 1.323) 8.349 17.934 ( 0.308 8.238 1.323) 8.349 18.471 ( 0.103 -5.695 -3.820) 6.858 18.471 ( 0.103 5.695 -3.820) 6.858 18.613 ( 0.147 -1.527 0.831) 1.744 18.613 ( 0.147 1.527 0.831) 1.744 19.963 ( -0.365 -2.855 2.559) 3.851 19.963 ( -0.365 2.855 2.559) 3.851 20.232 ( 0.202 -6.349 -2.666) 6.889 20.232 ( 0.201 6.349 -2.666) 6.889 ======================= Grid point 89 (46/80) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -2.219 -11.983 11.770) 16.943 2.435 ( -2.219 11.983 11.770) 16.943 3.025 ( -2.790 -9.699 3.835) 10.796 3.025 ( -2.790 9.699 3.835) 10.796 3.408 ( -0.211 -3.711 -3.867) 5.364 3.408 ( -0.211 3.711 -3.867) 5.364 3.578 ( 6.932 -1.297 -6.965) 9.912 3.578 ( 6.932 1.297 -6.965) 9.912 3.713 ( -0.269 -3.259 -1.717) 3.693 3.713 ( -0.269 3.259 -1.717) 3.693 4.159 ( 4.335 -4.508 -1.998) 6.566 4.159 ( 4.335 4.508 -1.998) 6.566 4.337 ( 2.728 -4.292 -4.697) 6.923 4.337 ( 2.728 4.292 -4.697) 6.923 4.641 ( 0.426 -5.969 2.856) 6.630 4.641 ( 0.426 5.969 2.856) 6.630 4.797 ( -1.024 -2.513 0.470) 2.754 4.797 ( -1.024 2.513 0.470) 2.754 4.892 ( -4.000 -1.537 -1.056) 4.413 4.892 ( -4.000 1.537 -1.056) 4.413 5.141 ( 1.930 -2.270 1.354) 3.273 5.141 ( 1.930 2.270 1.354) 3.273 5.277 ( 2.313 -7.226 7.240) 10.487 5.277 ( 2.313 7.226 7.240) 10.487 5.356 ( 2.597 -6.093 -0.452) 6.639 5.356 ( 2.597 6.093 -0.452) 6.639 5.675 ( -4.249 -11.057 -5.271) 12.965 5.675 ( -4.249 11.057 -5.271) 12.965 5.802 ( 0.190 -6.296 2.363) 6.727 5.802 ( 0.190 6.296 2.363) 6.727 5.972 ( 1.669 -2.342 -1.316) 3.163 5.972 ( 1.669 2.342 -1.316) 3.163 6.180 ( -0.018 -5.394 5.652) 7.813 6.180 ( -0.018 5.394 5.652) 7.813 6.366 ( -0.963 -10.368 -2.830) 10.790 6.366 ( -0.963 10.368 -2.830) 10.790 6.533 ( -2.512 -5.401 0.962) 6.034 6.533 ( -2.512 5.401 0.962) 6.034 6.962 ( -3.811 -9.693 0.288) 10.419 6.962 ( -3.811 9.693 0.288) 10.419 7.059 ( 1.353 -3.746 1.757) 4.353 7.059 ( 1.353 3.746 1.757) 4.353 7.271 ( -5.216 -5.829 0.100) 7.823 7.271 ( -5.216 5.829 0.100) 7.823 7.359 ( 0.112 -0.907 4.641) 4.730 7.359 ( 0.112 0.907 4.641) 4.730 7.603 ( 0.722 -1.638 7.139) 7.360 7.603 ( 0.722 1.638 7.139) 7.360 7.743 ( 2.463 -0.419 -3.513) 4.311 7.743 ( 2.463 0.419 -3.513) 4.311 7.887 ( -1.522 -3.294 -8.486) 9.229 7.887 ( -1.522 3.294 -8.486) 9.229 8.144 ( 1.512 -1.838 -1.883) 3.035 8.144 ( 1.512 1.838 -1.883) 3.035 8.372 ( -1.859 -2.240 -1.511) 3.280 8.372 ( -1.859 2.240 -1.511) 3.280 8.614 ( -4.239 -7.337 -5.199) 9.941 8.614 ( -4.239 7.337 -5.199) 9.941 8.941 ( 0.227 -1.106 0.794) 1.380 8.941 ( 0.227 1.106 0.794) 1.380 9.127 ( -1.326 -3.908 2.589) 4.871 9.127 ( -1.326 3.908 2.589) 4.871 9.298 ( -2.413 -4.724 -1.159) 5.429 9.298 ( -2.413 4.724 -1.159) 5.429 9.544 ( 4.033 -3.960 4.779) 7.402 9.544 ( 4.033 3.960 4.779) 7.402 9.710 ( 2.870 -2.408 -3.029) 4.818 9.710 ( 2.870 2.408 -3.029) 4.818 10.237 ( 0.839 -2.251 3.018) 3.857 10.237 ( 0.839 2.251 3.018) 3.857 10.422 ( 1.104 -0.644 0.920) 1.574 10.422 ( 1.104 0.644 0.920) 1.574 10.566 ( 4.293 -3.853 -0.500) 5.790 10.566 ( 4.293 3.853 -0.500) 5.790 11.061 ( 3.608 -4.671 -2.401) 6.372 11.061 ( 3.608 4.671 -2.401) 6.372 11.693 ( -0.517 -3.351 -0.911) 3.511 11.693 ( -0.517 3.351 -0.911) 3.511 11.995 ( 2.082 -4.458 -5.468) 7.356 11.995 ( 2.082 4.458 -5.468) 7.356 12.324 ( -7.152 -4.680 9.987) 13.145 12.324 ( -7.152 4.680 9.987) 13.145 12.900 ( 1.583 -2.083 -6.017) 6.561 12.900 ( 1.583 2.083 -6.017) 6.561 13.548 ( -2.925 -3.134 2.312) 4.871 13.548 ( -2.925 3.134 2.312) 4.871 13.783 ( 1.050 -4.721 1.914) 5.201 13.783 ( 1.050 4.721 1.914) 5.201 14.378 ( 3.424 -2.380 6.949) 8.104 14.378 ( 3.424 2.380 6.949) 8.104 14.614 ( -6.176 -0.788 -9.003) 10.946 14.614 ( -6.176 0.788 -9.003) 10.946 16.196 ( 0.986 -4.212 2.614) 5.055 16.196 ( 0.986 4.212 2.614) 5.055 16.299 ( 1.837 -4.008 -0.897) 4.499 16.299 ( 1.837 4.008 -0.897) 4.499 17.309 ( 1.569 -0.907 0.522) 1.886 17.309 ( 1.569 0.907 0.522) 1.886 17.854 ( -8.637 -10.219 0.462) 13.388 17.854 ( -8.637 10.219 0.462) 13.388 18.482 ( 3.303 -5.892 -2.328) 7.145 18.482 ( 3.303 5.892 -2.328) 7.145 18.640 ( 2.041 -0.882 0.187) 2.231 18.640 ( 2.041 0.882 0.187) 2.231 19.925 ( -5.010 -2.830 1.854) 6.046 19.925 ( -5.010 2.830 1.854) 6.046 20.255 ( 3.821 -5.016 -1.953) 6.601 20.255 ( 3.821 5.016 -1.953) 6.601 ======================= Grid point 91 (47/80) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -3.555 -9.189 7.199) 12.202 2.464 ( -3.555 9.189 7.199) 12.202 2.997 ( -1.248 -8.852 1.328) 9.037 2.997 ( -1.248 8.852 1.328) 9.037 3.429 ( 2.233 -5.498 2.798) 6.561 3.429 ( 2.233 5.498 2.798) 6.561 3.537 ( -1.338 -9.362 -9.449) 13.369 3.537 ( -1.338 9.362 -9.449) 13.369 3.822 ( 5.220 -3.039 5.919) 8.457 3.822 ( 5.220 3.039 5.919) 8.457 4.156 ( -0.769 -3.149 -1.171) 3.446 4.156 ( -0.769 3.149 -1.171) 3.447 4.418 ( 11.474 -5.861 -12.638) 18.048 4.418 ( 11.474 5.861 -12.638) 18.048 4.621 ( -4.103 -4.615 -2.132) 6.533 4.621 ( -4.103 4.615 -2.132) 6.533 4.740 ( -0.544 -5.467 1.319) 5.650 4.740 ( -0.544 5.467 1.319) 5.650 4.945 ( 4.690 -7.341 3.399) 9.351 4.945 ( 4.690 7.341 3.399) 9.351 5.142 ( -2.750 -2.679 -0.971) 3.960 5.142 ( -2.750 2.679 -0.971) 3.960 5.263 ( 0.620 -6.590 -4.204) 7.841 5.263 ( 0.620 6.590 -4.204) 7.841 5.403 ( -7.578 -5.624 5.084) 10.719 5.403 ( -7.578 5.624 5.084) 10.719 5.567 ( 1.315 -4.938 2.768) 5.812 5.567 ( 1.315 4.938 2.768) 5.812 5.792 ( -3.632 -4.550 0.680) 5.862 5.792 ( -3.632 4.550 0.680) 5.862 6.048 ( 5.837 -3.867 -0.645) 7.032 6.048 ( 5.837 3.867 -0.645) 7.032 6.256 ( 0.322 -5.898 6.748) 8.968 6.256 ( 0.322 5.898 6.748) 8.968 6.406 ( 5.659 -8.048 0.600) 9.857 6.406 ( 5.659 8.048 0.600) 9.857 6.487 ( -2.870 -9.014 0.436) 9.470 6.487 ( -2.870 9.014 0.436) 9.470 6.862 ( -6.721 -10.101 -1.226) 12.195 6.862 ( -6.721 10.101 -1.226) 12.195 7.031 ( -1.640 -9.009 -0.720) 9.185 7.031 ( -1.640 9.009 -0.720) 9.185 7.142 ( -6.298 -4.959 -4.919) 9.405 7.142 ( -6.298 4.959 -4.919) 9.405 7.414 ( 0.079 -4.094 3.527) 5.405 7.414 ( 0.079 4.094 3.527) 5.405 7.580 ( -2.103 -3.828 -2.295) 4.934 7.580 ( -2.103 3.828 -2.295) 4.934 7.780 ( 3.048 -3.756 4.782) 6.802 7.780 ( 3.048 3.756 4.782) 6.802 7.947 ( 4.402 -0.116 0.072) 4.404 7.947 ( 4.402 0.116 0.072) 4.404 8.112 ( 0.170 -14.818 2.763) 15.074 8.112 ( 0.170 14.818 2.763) 15.074 8.402 ( 2.190 -8.119 0.787) 8.446 8.402 ( 2.190 8.119 0.787) 8.446 8.482 ( -3.600 -8.680 -3.973) 10.202 8.482 ( -3.600 8.680 -3.973) 10.202 8.949 ( -1.984 -2.631 0.724) 3.374 8.949 ( -1.984 2.631 0.724) 3.374 9.103 ( -2.541 -2.695 2.665) 4.563 9.103 ( -2.541 2.695 2.665) 4.563 9.268 ( 0.020 -5.792 -0.461) 5.811 9.268 ( 0.020 5.792 -0.461) 5.811 9.572 ( -1.992 -3.778 -1.466) 4.516 9.572 ( -1.992 3.778 -1.466) 4.516 9.783 ( 7.362 -4.134 -3.700) 9.218 9.783 ( 7.362 4.134 -3.700) 9.218 10.296 ( 2.178 -2.277 2.140) 3.809 10.296 ( 2.178 2.277 2.140) 3.809 10.451 ( 0.548 -1.056 1.621) 2.011 10.451 ( 0.548 1.056 1.621) 2.011 10.617 ( 2.768 -1.829 -2.150) 3.953 10.617 ( 2.768 1.829 -2.150) 3.953 11.132 ( 2.719 -6.843 1.764) 7.572 11.132 ( 2.719 6.843 1.764) 7.572 11.642 ( -0.136 -3.536 -6.104) 7.056 11.642 ( -0.136 3.536 -6.104) 7.056 11.960 ( -0.370 -2.796 -4.448) 5.267 11.960 ( -0.370 2.796 -4.448) 5.267 12.312 ( -4.695 -3.569 11.593) 13.007 12.312 ( -4.695 3.569 11.593) 13.007 12.894 ( 1.899 -2.895 -3.632) 5.018 12.894 ( 1.899 2.895 -3.632) 5.018 13.496 ( -3.320 -3.118 0.359) 4.568 13.496 ( -3.320 3.118 0.359) 4.568 13.809 ( 0.047 -8.294 -1.550) 8.437 13.809 ( 0.047 8.294 -1.550) 8.437 14.394 ( -0.917 -2.349 -2.411) 3.489 14.394 ( -0.917 2.349 -2.411) 3.489 14.534 ( -1.076 -3.663 3.212) 4.990 14.534 ( -1.076 3.663 3.212) 4.990 16.195 ( 0.020 -3.191 -1.072) 3.366 16.195 ( 0.020 3.191 -1.072) 3.366 16.361 ( 2.270 -7.471 1.787) 8.010 16.361 ( 2.270 7.471 1.787) 8.010 17.350 ( 2.490 -1.949 0.199) 3.169 17.350 ( 2.490 1.949 0.199) 3.169 17.686 ( -8.199 -8.678 -1.035) 11.984 17.686 ( -8.199 8.678 -1.035) 11.984 18.527 ( 2.749 -5.307 -0.299) 5.984 18.527 ( 2.749 5.307 -0.299) 5.984 18.671 ( 0.930 -2.806 -0.238) 2.966 18.671 ( 0.930 2.806 -0.238) 2.966 19.853 ( -3.463 -2.002 0.792) 4.078 19.853 ( -3.463 2.002 0.792) 4.078 20.306 ( 2.629 -2.788 -0.708) 3.897 20.306 ( 2.629 2.788 -0.708) 3.897 ======================= Grid point 93 (48/80) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -1.993 -4.731 7.859) 9.387 2.481 ( -1.993 4.731 7.859) 9.387 2.959 ( -3.027 -4.522 -1.958) 5.783 2.959 ( -3.027 4.522 -1.958) 5.783 3.438 ( -0.992 -9.578 -4.003) 10.428 3.438 ( -0.992 9.578 -4.003) 10.428 3.529 ( 3.463 -1.075 3.776) 5.235 3.529 ( 3.463 1.075 3.776) 5.235 3.905 ( -1.703 -4.040 3.773) 5.784 3.905 ( -1.703 4.040 3.773) 5.784 4.128 ( 2.722 -7.013 -5.064) 9.069 4.128 ( 2.722 7.013 -5.064) 9.069 4.462 ( 0.909 -9.341 -7.947) 12.298 4.462 ( 0.909 9.341 -7.947) 12.298 4.549 ( 2.096 -1.962 -2.196) 3.615 4.549 ( 2.096 1.962 -2.196) 3.615 4.756 ( 2.581 -0.747 -7.138) 7.627 4.756 ( 2.581 0.747 -7.138) 7.627 4.955 ( -3.907 -11.029 -0.361) 11.706 4.955 ( -3.907 11.029 -0.361) 11.706 5.125 ( -5.416 -4.623 0.581) 7.144 5.125 ( -5.416 4.623 0.581) 7.145 5.245 ( -0.718 -5.141 1.026) 5.291 5.245 ( -0.718 5.141 1.026) 5.291 5.355 ( 6.418 -3.168 4.760) 8.596 5.355 ( 6.418 3.168 4.760) 8.596 5.674 ( 2.190 -8.359 5.818) 10.418 5.674 ( 2.190 8.359 5.818) 10.418 5.746 ( -2.468 -4.349 2.627) 5.649 5.746 ( -2.468 4.349 2.627) 5.649 6.091 ( -1.233 -4.646 -4.237) 6.408 6.091 ( -1.233 4.646 -4.237) 6.408 6.289 ( -1.960 -6.817 7.103) 10.038 6.289 ( -1.960 6.817 7.103) 10.038 6.411 ( -0.783 -10.020 -1.868) 10.223 6.411 ( -0.783 10.020 -1.868) 10.223 6.540 ( 0.858 -6.209 5.120) 8.093 6.540 ( 0.858 6.209 5.120) 8.093 6.746 ( -2.023 -7.286 -3.440) 8.307 6.746 ( -2.023 7.286 -3.440) 8.307 6.954 ( -2.314 -1.693 -2.661) 3.912 6.954 ( -2.314 1.693 -2.661) 3.912 7.114 ( 5.942 -7.249 -3.604) 10.042 7.114 ( 5.942 7.249 -3.604) 10.042 7.324 ( -6.293 -4.577 -3.601) 8.574 7.324 ( -6.293 4.577 -3.601) 8.574 7.609 ( 0.498 -6.903 3.139) 7.599 7.609 ( 0.498 6.903 3.139) 7.599 7.899 ( 2.856 -1.012 3.880) 4.923 7.899 ( 2.856 1.012 3.880) 4.923 7.973 ( 2.292 -3.684 3.312) 5.459 7.973 ( 2.292 3.684 3.312) 5.459 8.223 ( -0.834 -6.144 10.220) 11.954 8.223 ( -0.834 6.144 10.220) 11.954 8.339 ( 0.757 -8.004 -4.546) 9.236 8.339 ( 0.757 8.004 -4.546) 9.236 8.539 ( 4.448 -8.322 3.855) 10.194 8.539 ( 4.448 8.322 3.855) 10.194 8.901 ( -0.386 -4.505 -2.328) 5.085 8.901 ( -0.386 4.505 -2.328) 5.085 9.090 ( -2.646 -4.846 3.016) 6.291 9.090 ( -2.646 4.846 3.016) 6.291 9.263 ( -0.273 -5.094 -1.042) 5.207 9.263 ( -0.273 5.094 -1.042) 5.207 9.498 ( -1.870 -4.219 -5.775) 7.392 9.498 ( -1.870 4.219 -5.775) 7.392 9.842 ( 1.829 -4.413 -3.592) 5.976 9.842 ( 1.829 4.413 -3.592) 5.976 10.321 ( -1.478 -1.564 1.195) 2.462 10.321 ( -1.478 1.564 1.195) 2.462 10.463 ( -1.099 -2.114 1.874) 3.031 10.463 ( -1.099 2.114 1.874) 3.031 10.631 ( 0.986 -1.871 -2.566) 3.325 10.631 ( 0.986 1.871 -2.566) 3.325 11.161 ( -0.764 -6.479 2.193) 6.882 11.161 ( -0.764 6.479 2.193) 6.882 11.627 ( 4.573 -3.699 -6.467) 8.741 11.627 ( 4.573 3.699 -6.467) 8.741 11.917 ( -0.745 -1.462 -2.839) 3.279 11.917 ( -0.745 1.462 -2.839) 3.279 12.347 ( -3.624 -2.812 11.926) 12.778 12.347 ( -3.624 2.812 11.926) 12.778 12.902 ( 2.831 -1.790 -3.124) 4.580 12.902 ( 2.831 1.790 -3.124) 4.580 13.455 ( -0.828 -2.315 -0.383) 2.488 13.455 ( -0.828 2.315 -0.383) 2.488 13.735 ( -2.583 -6.435 -7.111) 9.932 13.735 ( -2.583 6.435 -7.111) 9.932 14.436 ( 0.711 -0.026 3.122) 3.202 14.436 ( 0.711 0.026 3.122) 3.202 14.526 ( 1.230 -3.184 1.531) 3.741 14.526 ( 1.230 3.184 1.531) 3.741 16.194 ( 0.098 -3.167 -0.644) 3.233 16.194 ( 0.098 3.167 -0.644) 3.233 16.383 ( -1.002 -7.150 0.893) 7.275 16.383 ( -1.002 7.150 0.893) 7.275 17.380 ( -0.491 -3.086 0.107) 3.127 17.380 ( -0.491 3.086 0.107) 3.127 17.589 ( 0.520 -5.318 -1.768) 5.629 17.589 ( 0.520 5.318 -1.768) 5.629 18.569 ( 1.257 -5.207 1.039) 5.456 18.569 ( 1.257 5.207 1.039) 5.456 18.666 ( -0.656 -4.099 -0.810) 4.230 18.666 ( -0.656 4.099 -0.810) 4.230 19.824 ( -0.435 -0.081 0.474) 0.648 19.824 ( -0.435 0.081 0.474) 0.648 20.332 ( 0.628 -0.761 -0.167) 1.001 20.332 ( 0.628 0.761 -0.167) 1.001 ======================= Grid point 95 (49/80) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -8.448 -3.927 7.764) 12.127 2.467 ( -8.448 3.927 7.764) 12.127 2.919 ( 1.423 -10.675 -1.503) 10.874 2.919 ( 1.423 10.675 -1.503) 10.874 3.405 ( -0.064 -8.868 -3.541) 9.549 3.405 ( -0.064 8.868 -3.541) 9.549 3.621 ( 5.198 -3.823 3.299) 7.247 3.621 ( 5.198 3.823 3.299) 7.247 3.839 ( -5.187 -4.648 0.001) 6.965 3.839 ( -5.187 4.648 0.001) 6.965 4.204 ( 3.546 -5.072 0.185) 6.192 4.204 ( 3.546 5.072 0.185) 6.192 4.384 ( 0.492 -8.018 -6.908) 10.595 4.384 ( 0.492 8.018 -6.908) 10.595 4.577 ( 0.730 -0.865 -2.606) 2.841 4.577 ( 0.730 0.865 -2.606) 2.841 4.704 ( 0.151 -5.731 -2.281) 6.170 4.704 ( 0.151 5.731 -2.281) 6.170 4.841 ( -6.632 -7.935 -2.565) 10.655 4.841 ( -6.632 7.935 -2.565) 10.655 5.046 ( 2.594 -5.732 -3.134) 7.029 5.046 ( 2.594 5.732 -3.134) 7.029 5.323 ( 0.106 -4.030 4.344) 5.927 5.323 ( 0.106 4.030 4.344) 5.927 5.481 ( -0.008 -1.960 5.402) 5.746 5.481 ( -0.008 1.960 5.402) 5.746 5.662 ( -4.106 -2.378 -4.903) 6.823 5.662 ( -4.106 2.378 -4.903) 6.823 5.762 ( 1.847 -11.616 0.398) 11.769 5.762 ( 1.847 11.616 0.398) 11.769 6.043 ( 0.078 -9.655 4.516) 10.659 6.043 ( 0.078 9.655 4.516) 10.659 6.240 ( -7.906 -1.976 6.052) 10.151 6.240 ( -7.906 1.976 6.052) 10.151 6.439 ( 1.941 -7.265 1.993) 7.779 6.439 ( 1.941 7.265 1.993) 7.779 6.597 ( 1.469 -4.842 4.385) 6.696 6.597 ( 1.469 4.842 4.385) 6.696 6.734 ( 5.212 -5.995 -5.191) 9.490 6.734 ( 5.212 5.995 -5.192) 9.490 6.970 ( 2.289 -6.326 -1.672) 6.932 6.970 ( 2.289 6.326 -1.672) 6.932 7.093 ( -0.861 -6.150 -7.160) 9.478 7.093 ( -0.861 6.150 -7.160) 9.478 7.301 ( 4.482 -5.553 1.998) 7.411 7.301 ( 4.482 5.553 1.998) 7.411 7.581 ( -4.984 -8.667 1.280) 10.079 7.581 ( -4.984 8.667 1.280) 10.079 7.935 ( -2.136 -4.400 3.138) 5.811 7.935 ( -2.136 4.400 3.138) 5.811 8.037 ( 0.685 -0.261 0.468) 0.870 8.037 ( 0.685 0.261 0.468) 0.870 8.249 ( -0.983 -7.185 0.453) 7.266 8.249 ( -0.983 7.185 0.453) 7.266 8.395 ( 2.710 -1.802 6.959) 7.682 8.395 ( 2.710 1.802 6.959) 7.682 8.668 ( 5.634 -3.600 3.610) 7.598 8.668 ( 5.634 3.600 3.610) 7.598 8.937 ( 5.500 -1.305 -0.442) 5.670 8.937 ( 5.500 1.305 -0.442) 5.670 9.053 ( -2.237 -4.584 -0.469) 5.122 9.053 ( -2.237 4.584 -0.469) 5.122 9.248 ( 0.448 -4.023 -1.663) 4.376 9.248 ( 0.448 4.023 -1.663) 4.376 9.410 ( -2.446 -3.816 -4.523) 6.403 9.410 ( -2.446 3.816 -4.523) 6.403 9.783 ( -4.033 -3.516 -3.457) 6.370 9.783 ( -4.033 3.516 -3.457) 6.370 10.277 ( -4.186 -0.520 2.030) 4.681 10.277 ( -4.186 0.520 2.030) 4.681 10.450 ( -1.774 -3.156 1.578) 3.949 10.450 ( -1.774 3.156 1.578) 3.949 10.600 ( -1.874 -2.401 -2.677) 4.055 10.600 ( -1.874 2.401 -2.677) 4.055 11.169 ( -0.517 -5.796 1.961) 6.140 11.169 ( -0.517 5.796 1.961) 6.140 11.655 ( 3.160 -3.383 -5.221) 6.978 11.655 ( 3.160 3.383 -5.221) 6.978 11.882 ( 0.719 -3.076 -3.597) 4.788 11.882 ( 0.719 3.076 -3.597) 4.788 12.380 ( -3.769 -3.480 10.147) 11.370 12.380 ( -3.769 3.480 10.147) 11.370 12.950 ( 4.615 -1.148 -2.169) 5.227 12.950 ( 4.615 1.148 -2.169) 5.227 13.467 ( 2.003 -2.169 0.863) 3.076 13.467 ( 2.003 2.169 0.863) 3.076 13.648 ( 0.458 -2.378 -5.816) 6.300 13.648 ( 0.458 2.378 -5.816) 6.300 14.345 ( -7.594 -1.809 -0.541) 7.825 14.345 ( -7.594 1.809 -0.541) 7.825 14.691 ( 9.401 -2.035 3.283) 10.164 14.691 ( 9.401 2.035 3.283) 10.164 16.160 ( -3.127 -3.843 -1.118) 5.079 16.160 ( -3.127 3.843 -1.118) 5.079 16.369 ( -1.060 -5.199 1.321) 5.468 16.369 ( -1.060 5.199 1.321) 5.468 17.337 ( -2.942 -2.835 -0.142) 4.088 17.337 ( -2.942 2.835 -0.142) 4.088 17.672 ( 8.480 -4.005 -1.191) 9.453 17.672 ( 8.480 4.005 -1.191) 9.453 18.576 ( -1.441 -1.361 0.516) 2.049 18.576 ( -1.441 1.361 0.516) 2.049 18.645 ( -0.900 -2.863 -0.571) 3.055 18.645 ( -0.900 2.863 -0.571) 3.055 19.844 ( 2.173 -2.056 0.506) 3.033 19.844 ( 2.173 2.056 0.506) 3.033 20.324 ( -1.284 -3.269 -0.288) 3.524 20.324 ( -1.284 3.269 -0.288) 3.524 ======================= Grid point 97 (50/80) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -7.671 -8.884 9.000) 14.791 2.377 ( -7.671 8.884 9.000) 14.791 2.929 ( -0.617 -10.296 0.967) 10.360 2.929 ( -0.617 10.296 0.967) 10.360 3.400 ( 5.247 -6.465 -5.503) 9.981 3.400 ( 5.247 6.465 -5.503) 9.981 3.713 ( -7.229 -5.000 3.664) 9.523 3.713 ( -7.229 5.000 3.664) 9.523 3.804 ( 5.077 -4.456 2.377) 7.161 3.804 ( 5.077 4.456 2.377) 7.161 4.157 ( -3.212 -3.254 -6.353) 7.828 4.157 ( -3.212 3.254 -6.353) 7.828 4.341 ( 3.266 -4.399 -8.092) 9.772 4.341 ( 3.266 4.399 -8.092) 9.772 4.592 ( -4.617 -4.162 0.870) 6.276 4.592 ( -4.617 4.162 0.870) 6.276 4.698 ( 7.477 -4.292 -2.047) 8.861 4.698 ( 7.477 4.292 -2.047) 8.861 4.838 ( 4.911 -0.640 3.307) 5.955 4.838 ( 4.911 0.640 3.307) 5.955 5.083 ( 1.493 -8.016 -1.241) 8.247 5.083 ( 1.493 8.016 -1.241) 8.247 5.282 ( -7.738 -4.913 5.264) 10.570 5.282 ( -7.738 4.913 5.264) 10.570 5.388 ( -7.179 -5.100 -2.669) 9.202 5.388 ( -7.179 5.100 -2.669) 9.202 5.596 ( 1.461 -11.754 -1.748) 11.973 5.596 ( 1.461 11.754 -1.748) 11.973 5.828 ( 1.229 -8.575 1.649) 8.818 5.828 ( 1.229 8.575 1.649) 8.818 6.024 ( -2.654 -8.753 2.175) 9.401 6.024 ( -2.654 8.753 2.175) 9.401 6.280 ( 1.063 -11.939 4.171) 12.691 6.280 ( 1.063 11.939 4.171) 12.691 6.448 ( -1.645 -9.404 1.407) 9.650 6.448 ( -1.645 9.404 1.407) 9.650 6.632 ( -1.954 -6.878 2.470) 7.565 6.632 ( -1.954 6.878 2.470) 7.565 6.823 ( 6.596 -4.546 -1.417) 8.135 6.823 ( 6.596 4.546 -1.417) 8.135 6.913 ( -0.623 -0.911 -1.639) 1.976 6.913 ( -0.623 0.911 -1.639) 1.976 7.155 ( 7.318 -7.583 -0.402) 10.546 7.155 ( 7.318 7.583 -0.402) 10.546 7.391 ( 1.387 -2.590 1.606) 3.348 7.391 ( 1.387 2.590 1.606) 3.348 7.499 ( -2.642 -9.674 -0.072) 10.029 7.499 ( -2.642 9.674 -0.072) 10.029 7.884 ( -4.743 -5.693 1.296) 7.523 7.884 ( -4.743 5.693 1.296) 7.523 8.034 ( 0.151 -2.223 -2.581) 3.410 8.034 ( 0.151 2.223 -2.581) 3.410 8.188 ( -4.453 -3.881 0.802) 5.961 8.188 ( -4.453 3.881 0.802) 5.961 8.478 ( 1.720 -7.840 -2.746) 8.484 8.478 ( 1.720 7.840 -2.746) 8.484 8.778 ( 2.619 -6.905 1.427) 7.521 8.778 ( 2.619 6.905 1.427) 7.521 9.013 ( 1.631 -5.484 -1.852) 6.014 9.013 ( 1.631 5.484 -1.852) 6.014 9.056 ( 1.133 -2.556 3.428) 4.424 9.056 ( 1.133 2.556 3.428) 4.424 9.225 ( 0.036 -3.207 -2.393) 4.001 9.225 ( 0.036 3.207 -2.393) 4.001 9.393 ( 3.576 -2.910 0.755) 4.672 9.393 ( 3.576 2.910 0.755) 4.672 9.679 ( -3.402 -2.167 -1.811) 4.421 9.679 ( -3.402 2.167 -1.811) 4.421 10.232 ( -2.565 -2.043 2.611) 4.191 10.232 ( -2.565 2.043 2.611) 4.191 10.436 ( -1.309 -1.801 1.657) 2.775 10.436 ( -1.309 1.801 1.657) 2.775 10.521 ( -3.662 -4.820 -2.369) 6.500 10.521 ( -3.662 4.820 -2.369) 6.500 11.153 ( -3.059 -5.700 0.304) 6.476 11.153 ( -3.059 5.700 0.304) 6.476 11.644 ( 0.615 -0.590 -1.904) 2.086 11.644 ( 0.615 0.590 -1.904) 2.086 11.905 ( 6.060 -3.932 -5.639) 9.164 11.905 ( 6.060 3.932 -5.639) 9.164 12.388 ( -4.667 -4.715 8.678) 10.924 12.388 ( -4.667 4.715 8.678) 10.924 12.992 ( 1.855 -2.911 -3.575) 4.969 12.992 ( 1.855 2.911 -3.575) 4.969 13.524 ( 1.991 -8.912 1.143) 9.203 13.524 ( 1.991 8.912 1.143) 9.203 13.667 ( 4.391 -6.970 0.280) 8.243 13.667 ( 4.391 6.970 0.280) 8.243 14.223 ( -4.249 -3.140 0.298) 5.292 14.223 ( -4.249 3.140 0.298) 5.292 14.838 ( 4.340 -4.864 -1.311) 6.649 14.838 ( 4.340 4.864 -1.311) 6.649 16.095 ( -2.444 -2.282 0.981) 3.485 16.095 ( -2.444 2.282 0.981) 3.485 16.360 ( -1.229 -3.519 0.292) 3.739 16.360 ( -1.229 3.519 0.292) 3.739 17.295 ( -1.521 -1.274 0.192) 1.993 17.295 ( -1.521 1.274 0.192) 1.993 17.832 ( 8.643 -4.665 -0.005) 9.822 17.832 ( 8.643 4.665 -0.005) 9.822 18.531 ( -2.464 -4.050 -2.249) 5.247 18.531 ( -2.464 4.050 -2.249) 5.247 18.621 ( -1.661 -2.462 0.824) 3.082 18.621 ( -1.661 2.462 0.824) 3.082 19.907 ( 3.471 -3.047 1.207) 4.774 19.907 ( 3.471 3.047 1.207) 4.774 20.281 ( -2.562 -5.492 -1.211) 6.180 20.281 ( -2.562 5.492 -1.211) 6.180 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 11.430 0.000 32.304) 34.267 1.723 ( -0.518 0.000 39.231) 39.234 1.993 ( -11.813 0.000 -29.074) 31.382 2.482 ( 1.175 0.000 -34.998) 35.018 2.602 ( 6.921 0.000 55.236) 55.668 3.118 ( -5.332 0.000 6.042) 8.058 3.263 ( 9.139 0.000 -3.248) 9.699 3.508 ( 1.856 0.000 -15.368) 15.480 3.666 ( 0.214 0.000 -8.250) 8.253 3.710 ( 7.903 0.000 3.580) 8.676 3.771 ( -6.385 0.000 -5.774) 8.609 3.817 ( -5.141 0.000 -7.386) 8.999 4.176 ( -4.711 0.000 -1.761) 5.029 4.216 ( -9.688 0.000 6.705) 11.782 4.238 ( -6.730 0.000 -6.632) 9.449 4.406 ( 2.018 0.000 9.329) 9.545 4.409 ( 15.983 0.000 -10.101) 18.907 4.638 ( -3.685 0.000 -14.936) 15.384 4.815 ( 7.483 0.000 5.519) 9.298 4.867 ( -4.177 0.000 0.243) 4.184 5.028 ( -4.533 0.000 -2.946) 5.406 5.042 ( -3.370 0.000 -3.157) 4.618 5.241 ( 4.890 0.000 5.133) 7.090 5.282 ( 1.022 0.000 2.596) 2.790 5.419 ( -4.757 0.000 6.580) 8.119 5.548 ( 0.866 0.000 -6.844) 6.899 5.778 ( 4.997 0.000 10.968) 12.052 5.832 ( 4.672 0.000 1.940) 5.059 5.925 ( -1.235 0.000 -2.262) 2.578 6.013 ( -9.181 0.000 -4.899) 10.406 6.122 ( 7.438 0.000 -0.214) 7.441 6.179 ( -4.076 0.000 -5.427) 6.787 6.409 ( 1.837 0.000 14.874) 14.987 6.427 ( -9.952 0.000 6.465) 11.868 6.434 ( 6.238 0.000 8.737) 10.735 6.520 ( 5.874 0.000 -4.432) 7.358 6.639 ( -2.998 0.000 -8.068) 8.607 6.775 ( -1.045 0.000 -12.752) 12.794 6.845 ( 1.421 0.000 -2.578) 2.943 6.851 ( -2.356 0.000 -6.760) 7.159 7.181 ( -3.388 0.000 1.299) 3.628 7.206 ( 4.649 0.000 2.074) 5.090 7.218 ( 6.523 0.000 6.632) 9.302 7.321 ( -6.207 0.000 -2.066) 6.542 7.534 ( 3.399 0.000 12.155) 12.622 7.559 ( 6.382 0.000 5.675) 8.540 7.740 ( -5.926 0.000 -9.898) 11.536 7.752 ( -4.243 0.000 -6.845) 8.053 7.829 ( -2.471 0.000 2.863) 3.782 7.933 ( -6.690 0.000 -2.032) 6.992 7.957 ( 1.449 0.000 0.000) 1.449 8.057 ( -1.128 0.000 -5.891) 5.999 8.188 ( 4.329 0.000 4.715) 6.401 8.204 ( 0.092 0.000 4.918) 4.919 8.463 ( 6.465 0.000 5.417) 8.434 8.510 ( -2.770 0.000 -2.994) 4.079 8.584 ( 0.395 0.000 5.671) 5.684 8.739 ( -3.048 0.000 -7.725) 8.304 8.967 ( -2.957 0.000 -3.352) 4.469 8.979 ( 0.627 0.000 -2.060) 2.153 9.201 ( -14.436 0.000 -0.169) 14.437 9.215 ( 9.693 0.000 1.036) 9.748 9.238 ( -1.573 0.000 3.657) 3.981 9.372 ( 4.571 0.000 -6.291) 7.776 9.510 ( -8.706 0.000 4.261) 9.692 9.566 ( 5.720 0.000 -0.766) 5.771 9.852 ( -0.376 0.000 2.066) 2.100 9.896 ( 2.282 0.000 -2.290) 3.233 10.152 ( -1.522 0.000 3.092) 3.447 10.216 ( 0.451 0.000 -2.980) 3.013 10.414 ( 7.409 0.000 2.756) 7.905 10.455 ( -4.245 0.000 0.780) 4.317 10.560 ( -9.163 0.000 10.283) 13.773 10.807 ( 9.408 0.000 -10.909) 14.405 11.162 ( 2.689 0.000 -0.289) 2.705 11.163 ( -0.681 0.000 -0.828) 1.072 11.537 ( -5.432 0.000 2.841) 6.130 11.592 ( 8.006 0.000 -2.981) 8.543 11.965 ( -3.868 0.000 5.224) 6.500 12.096 ( 5.942 0.000 -7.399) 9.490 12.369 ( 6.505 0.000 9.793) 11.756 12.530 ( -3.299 0.000 -5.145) 6.112 12.663 ( -11.886 0.000 4.237) 12.618 12.799 ( 3.347 0.000 -10.236) 10.769 13.466 ( -0.814 0.000 0.810) 1.149 13.481 ( 0.643 0.000 -0.767) 1.000 13.741 ( 11.971 0.000 5.699) 13.258 13.851 ( -11.477 0.000 -5.223) 12.609 14.330 ( 0.958 0.000 7.393) 7.455 14.466 ( -1.352 0.000 -5.756) 5.913 14.882 ( 10.632 0.000 8.901) 13.866 15.038 ( -11.892 0.000 -5.944) 13.295 16.032 ( -3.896 0.000 2.911) 4.864 16.113 ( 5.181 0.000 -4.978) 7.185 16.391 ( -8.379 0.000 2.286) 8.685 16.454 ( 11.749 0.000 -3.907) 12.382 16.985 ( -7.207 0.000 4.015) 8.250 17.062 ( 6.214 0.000 -3.412) 7.089 17.481 ( 33.288 0.000 4.028) 33.530 17.544 ( -17.717 0.000 -2.243) 17.858 18.483 ( -1.643 0.000 1.046) 1.948 18.535 ( 2.543 0.000 -4.069) 4.798 19.087 ( 7.221 0.000 3.375) 7.971 19.140 ( -15.742 0.000 -1.926) 15.859 19.743 ( -0.854 0.000 1.520) 1.743 19.773 ( 0.713 0.000 -1.358) 1.534 20.147 ( -6.428 0.000 2.182) 6.788 20.178 ( 1.928 0.000 -0.846) 2.105 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 4.227 0.000 -25.877) 26.220 1.970 ( 22.843 0.000 25.255) 34.053 2.081 ( 4.455 0.000 33.890) 34.182 2.198 ( 4.263 0.000 -33.667) 33.936 2.950 ( -8.310 0.000 -6.298) 10.427 3.251 ( -6.063 0.000 -14.177) 15.419 3.380 ( 22.639 0.000 37.218) 43.563 3.391 ( 13.826 0.000 -31.556) 34.452 3.502 ( -18.609 0.000 -4.271) 19.093 3.662 ( -2.332 0.000 -6.574) 6.975 3.750 ( -18.663 0.000 19.714) 27.147 3.833 ( 3.070 0.000 5.342) 6.161 3.885 ( 12.042 0.000 7.513) 14.193 4.026 ( -5.632 0.000 -6.560) 8.646 4.389 ( 1.610 0.000 4.781) 5.045 4.445 ( -1.439 0.000 -13.053) 13.132 4.573 ( 2.664 0.000 8.912) 9.302 4.728 ( 17.755 0.000 -0.194) 17.756 4.765 ( 1.623 0.000 -0.474) 1.691 4.863 ( -3.506 0.000 -5.368) 6.412 5.055 ( -0.836 0.000 -4.238) 4.320 5.099 ( 6.536 0.000 8.022) 10.348 5.267 ( -1.975 0.000 1.268) 2.347 5.291 ( 1.844 0.000 -5.361) 5.670 5.405 ( -5.679 0.000 7.009) 9.021 5.439 ( -17.544 0.000 -1.810) 17.637 5.703 ( 0.593 0.000 -3.502) 3.552 5.764 ( -6.281 0.000 -3.277) 7.084 5.992 ( 0.430 0.000 -9.340) 9.350 6.004 ( -2.221 0.000 10.437) 10.671 6.026 ( -2.330 0.000 -0.323) 2.352 6.126 ( 0.314 0.000 4.620) 4.631 6.418 ( 1.496 0.000 -0.434) 1.558 6.486 ( -4.429 0.000 5.895) 7.374 6.533 ( 6.903 0.000 -4.798) 8.407 6.622 ( 2.172 0.000 -5.035) 5.484 6.650 ( 1.602 0.000 14.694) 14.782 6.690 ( 4.570 0.000 -7.364) 8.667 6.810 ( -3.866 0.000 -2.264) 4.480 6.834 ( 5.337 0.000 -2.883) 6.066 7.102 ( -7.108 0.000 -0.011) 7.108 7.190 ( -4.578 0.000 -4.493) 6.415 7.210 ( -2.119 0.000 -1.061) 2.370 7.391 ( -0.166 0.000 1.347) 1.358 7.524 ( -0.277 0.000 -3.491) 3.502 7.563 ( -3.519 0.000 -6.457) 7.354 7.722 ( 2.443 0.000 8.928) 9.256 7.729 ( 5.610 0.000 6.594) 8.657 7.821 ( -3.480 0.000 2.344) 4.196 7.857 ( -4.519 0.000 4.370) 6.286 7.954 ( -2.535 0.000 1.930) 3.186 8.036 ( 4.561 0.000 3.509) 5.755 8.210 ( -0.757 0.000 -5.285) 5.339 8.326 ( 4.830 0.000 -1.064) 4.946 8.429 ( -4.348 0.000 -3.566) 5.624 8.509 ( -0.172 0.000 -0.170) 0.242 8.697 ( 2.062 0.000 7.642) 7.915 8.708 ( 8.176 0.000 -1.244) 8.270 8.948 ( -11.858 0.000 5.254) 12.970 8.984 ( 0.509 0.000 -1.306) 1.402 9.005 ( 3.594 0.000 -0.388) 3.615 9.229 ( -3.383 0.000 5.827) 6.738 9.365 ( 0.998 0.000 -6.548) 6.623 9.376 ( -1.731 0.000 3.966) 4.328 9.447 ( 6.262 0.000 1.542) 6.449 9.664 ( 5.057 0.000 0.606) 5.093 9.851 ( -0.996 0.000 -0.219) 1.019 9.885 ( -0.878 0.000 -2.739) 2.876 10.196 ( 1.775 0.000 4.258) 4.613 10.239 ( 3.981 0.000 -2.132) 4.516 10.312 ( -7.746 0.000 -4.414) 8.915 10.512 ( 2.040 0.000 1.098) 2.317 10.551 ( -2.010 0.000 10.405) 10.598 10.850 ( 5.343 0.000 -9.429) 10.838 11.100 ( -9.500 0.000 0.651) 9.523 11.132 ( 1.588 0.000 -8.073) 8.228 11.539 ( 3.945 0.000 0.617) 3.993 11.692 ( 5.017 0.000 -4.227) 6.560 11.900 ( -6.477 0.000 2.972) 7.126 12.114 ( 4.134 0.000 -5.463) 6.851 12.481 ( 5.363 0.000 -6.508) 8.433 12.561 ( -1.391 0.000 3.370) 3.645 12.699 ( 14.606 0.000 11.765) 18.755 12.884 ( 8.354 0.000 -0.820) 8.394 13.470 ( 0.779 0.000 0.878) 1.174 13.494 ( 1.196 0.000 -0.341) 1.244 13.610 ( -9.093 0.000 -5.459) 10.606 14.023 ( 13.001 0.000 4.177) 13.656 14.362 ( -3.755 0.000 -6.008) 7.085 14.370 ( -3.480 0.000 6.585) 7.448 14.726 ( -15.133 0.000 -4.978) 15.931 15.051 ( -3.066 0.000 4.790) 5.687 15.958 ( -6.699 0.000 2.337) 7.095 16.143 ( 3.167 0.000 -5.099) 6.002 16.206 ( -9.776 0.000 -0.408) 9.784 16.538 ( 3.644 0.000 -4.861) 6.075 16.909 ( -5.159 0.000 4.394) 6.777 17.131 ( 1.182 0.000 -6.800) 6.902 17.277 ( -0.513 0.000 -4.795) 4.822 18.009 ( 24.976 0.000 -11.193) 27.370 18.349 ( -15.414 0.000 4.803) 16.145 18.507 ( -0.823 0.000 -3.926) 4.011 18.935 ( -5.404 0.000 5.373) 7.621 19.225 ( 1.552 0.000 5.745) 5.951 19.756 ( 0.567 0.000 1.462) 1.569 19.788 ( 1.960 0.000 -0.969) 2.187 20.125 ( 0.018 0.000 4.030) 4.030 20.235 ( 3.184 0.000 2.066) 3.796 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 21.971 0.000 -16.200) 27.297 2.036 ( 16.197 0.000 -30.204) 34.272 2.478 ( 8.865 0.000 24.451) 26.009 2.640 ( -17.930 0.000 -1.246) 17.973 2.678 ( 19.067 0.000 17.318) 25.758 2.787 ( -28.584 0.000 -8.476) 29.814 3.209 ( -1.555 0.000 -0.176) 1.565 3.467 ( -9.973 0.000 11.901) 15.527 3.486 ( 18.611 0.000 -23.753) 30.175 3.694 ( 4.566 0.000 -4.518) 6.424 3.906 ( 4.259 0.000 -14.816) 15.416 3.927 ( 2.465 0.000 10.421) 10.709 4.098 ( 5.039 0.000 -2.060) 5.444 4.197 ( 9.499 0.000 7.237) 11.942 4.402 ( -10.454 0.000 19.970) 22.541 4.407 ( 4.010 0.000 -4.511) 6.036 4.483 ( -5.718 0.000 -9.646) 11.214 4.743 ( -3.332 0.000 4.235) 5.388 4.814 ( -18.199 0.000 -4.207) 18.679 4.817 ( -12.136 0.000 -4.593) 12.976 4.957 ( 10.719 0.000 11.005) 15.362 5.089 ( 0.805 0.000 -0.401) 0.899 5.227 ( 6.265 0.000 5.495) 8.333 5.272 ( 4.531 0.000 -0.824) 4.605 5.390 ( 5.285 0.000 0.712) 5.333 5.452 ( -1.161 0.000 9.184) 9.257 5.573 ( -8.059 0.000 -4.300) 9.135 5.745 ( -1.604 0.000 -4.456) 4.736 5.836 ( 0.462 0.000 -7.696) 7.709 6.000 ( -7.458 0.000 10.124) 12.575 6.165 ( 9.774 0.000 5.760) 11.345 6.253 ( 7.388 0.000 -0.002) 7.388 6.404 ( -9.693 0.000 0.953) 9.740 6.428 ( 0.793 0.000 3.045) 3.146 6.600 ( 1.043 0.000 1.539) 1.859 6.620 ( -12.733 0.000 1.604) 12.834 6.715 ( 7.421 0.000 -10.474) 12.837 6.717 ( 9.788 0.000 -5.431) 11.194 6.737 ( -1.269 0.000 3.621) 3.837 6.873 ( -10.532 0.000 -2.901) 10.924 6.927 ( 5.631 0.000 -9.765) 11.272 7.099 ( -1.588 0.000 -2.058) 2.599 7.116 ( -5.760 0.000 -0.453) 5.778 7.314 ( -0.395 0.000 1.404) 1.458 7.480 ( -9.966 0.000 -9.813) 13.986 7.603 ( 6.668 0.000 1.668) 6.873 7.729 ( -4.660 0.000 2.923) 5.501 7.795 ( -1.017 0.000 5.083) 5.184 7.870 ( 1.261 0.000 -0.201) 1.277 7.934 ( 10.429 0.000 8.886) 13.702 7.986 ( -0.607 0.000 5.035) 5.072 8.121 ( -0.903 0.000 1.430) 1.691 8.148 ( -0.774 0.000 -4.168) 4.239 8.327 ( 2.481 0.000 -1.264) 2.784 8.388 ( 3.325 0.000 3.404) 4.758 8.566 ( 0.011 0.000 3.484) 3.484 8.723 ( -1.440 0.000 5.123) 5.321 8.835 ( -4.289 0.000 7.369) 8.527 8.908 ( 3.040 0.000 -3.220) 4.428 8.946 ( 2.900 0.000 3.879) 4.843 9.105 ( 3.791 0.000 1.148) 3.961 9.162 ( -5.783 0.000 1.388) 5.947 9.311 ( -0.313 0.000 -6.135) 6.143 9.397 ( -2.162 0.000 4.528) 5.018 9.618 ( 4.382 0.000 6.108) 7.517 9.743 ( 2.323 0.000 -1.057) 2.552 9.827 ( 0.112 0.000 0.294) 0.315 9.845 ( 1.041 0.000 -0.817) 1.323 10.125 ( -5.721 0.000 -1.801) 5.998 10.293 ( 2.949 0.000 -0.519) 2.995 10.310 ( 3.671 0.000 4.367) 5.705 10.524 ( -1.320 0.000 0.304) 1.355 10.627 ( 1.312 0.000 2.925) 3.205 10.855 ( 7.291 0.000 -16.062) 17.640 10.909 ( -10.936 0.000 4.295) 11.749 11.047 ( -1.941 0.000 -8.276) 8.500 11.632 ( 4.573 0.000 -0.696) 4.626 11.710 ( 1.308 0.000 -3.034) 3.304 11.854 ( -1.943 0.000 6.875) 7.144 12.156 ( 5.793 0.000 -6.304) 8.562 12.566 ( 7.561 0.000 -4.563) 8.831 12.596 ( 0.701 0.000 2.226) 2.334 13.035 ( 6.127 0.000 4.579) 7.649 13.090 ( 14.914 0.000 14.107) 20.528 13.442 ( -4.456 0.000 -4.571) 6.384 13.514 ( 2.763 0.000 1.046) 2.954 13.524 ( 2.789 0.000 0.088) 2.790 14.156 ( -1.984 0.000 -4.217) 4.661 14.285 ( -12.246 0.000 1.672) 12.360 14.343 ( 9.865 0.000 -2.534) 10.185 14.467 ( -8.133 0.000 0.387) 8.142 14.724 ( -25.572 0.000 -14.260) 29.279 15.903 ( -1.687 0.000 4.574) 4.875 16.135 ( 1.575 0.000 -6.278) 6.472 16.149 ( 1.726 0.000 3.644) 4.032 16.522 ( 0.427 0.000 -7.000) 7.013 16.870 ( -3.977 0.000 4.907) 6.316 17.024 ( 0.388 0.000 -9.688) 9.696 17.420 ( 11.542 0.000 1.795) 11.681 17.988 ( -17.100 0.000 1.753) 17.189 18.312 ( 9.385 0.000 -5.569) 10.913 18.452 ( -1.050 0.000 -4.082) 4.215 18.983 ( 3.733 0.000 4.536) 5.874 19.230 ( -4.753 0.000 3.185) 5.722 19.785 ( 1.041 0.000 1.325) 1.684 19.816 ( 1.437 0.000 -0.431) 1.500 20.193 ( 3.386 0.000 3.278) 4.712 20.296 ( -0.071 0.000 3.531) 3.532 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -34.112 0.000 -1.225) 34.134 2.095 ( 21.428 0.000 -4.694) 21.936 2.138 ( -27.153 0.000 -2.873) 27.305 2.241 ( 24.952 0.000 -13.212) 28.234 2.829 ( 7.517 0.000 14.645) 16.461 3.125 ( 9.894 0.000 -8.475) 13.027 3.375 ( -23.413 0.000 17.010) 28.940 3.429 ( 17.027 0.000 15.037) 22.717 3.576 ( 7.804 0.000 -5.148) 9.349 3.670 ( -13.534 0.000 -8.406) 15.932 3.750 ( -18.709 0.000 5.067) 19.383 3.903 ( 3.322 0.000 -11.100) 11.587 4.042 ( -1.909 0.000 2.308) 2.996 4.164 ( 10.955 0.000 -8.119) 13.635 4.208 ( -5.635 0.000 2.131) 6.024 4.402 ( 12.254 0.000 -14.597) 19.059 4.461 ( -19.991 0.000 2.018) 20.093 4.571 ( 16.205 0.000 -6.288) 17.382 4.873 ( 4.382 0.000 6.145) 7.547 4.939 ( 4.901 0.000 2.975) 5.733 5.121 ( -1.141 0.000 9.233) 9.303 5.182 ( 2.830 0.000 5.548) 6.228 5.231 ( -7.602 0.000 -2.063) 7.877 5.329 ( 5.579 0.000 -5.812) 8.056 5.501 ( -2.096 0.000 5.118) 5.531 5.527 ( 0.443 0.000 2.763) 2.798 5.549 ( 8.216 0.000 0.111) 8.216 5.606 ( 1.193 0.000 -5.877) 5.997 5.874 ( -8.731 0.000 3.621) 9.452 5.929 ( 5.758 0.000 2.122) 6.136 6.195 ( -4.494 0.000 5.298) 6.947 6.384 ( 5.387 0.000 -2.088) 5.778 6.424 ( -10.057 0.000 2.385) 10.336 6.446 ( 6.436 0.000 -0.081) 6.436 6.485 ( 0.744 0.000 3.048) 3.137 6.596 ( -0.919 0.000 -2.475) 2.640 6.631 ( -4.198 0.000 1.892) 4.605 6.648 ( -2.350 0.000 -2.519) 3.445 6.734 ( -5.274 0.000 1.179) 5.404 6.871 ( 11.834 0.000 -9.384) 15.103 6.941 ( 4.293 0.000 -4.389) 6.140 7.028 ( -6.694 0.000 -8.933) 11.163 7.120 ( 3.397 0.000 2.529) 4.235 7.181 ( -7.172 0.000 -4.426) 8.428 7.416 ( 3.893 0.000 9.716) 10.467 7.640 ( -3.741 0.000 -10.559) 11.202 7.720 ( 0.332 0.000 5.400) 5.410 7.807 ( 1.175 0.000 -0.693) 1.364 7.856 ( -0.639 0.000 7.861) 7.887 7.962 ( -1.308 0.000 0.368) 1.358 8.042 ( -5.320 0.000 -1.626) 5.562 8.089 ( 2.988 0.000 -4.476) 5.382 8.302 ( 10.760 0.000 9.400) 14.288 8.434 ( -6.329 0.000 1.607) 6.530 8.449 ( -1.107 0.000 1.489) 1.856 8.520 ( 4.549 0.000 2.806) 5.345 8.761 ( -0.775 0.000 1.824) 1.982 8.766 ( -7.356 0.000 -1.433) 7.494 8.983 ( 6.591 0.000 12.487) 14.120 9.076 ( -4.318 0.000 4.869) 6.508 9.134 ( 6.870 0.000 -1.232) 6.980 9.143 ( 0.848 0.000 1.830) 2.017 9.262 ( 2.409 0.000 -6.402) 6.841 9.280 ( -9.502 0.000 -4.728) 10.613 9.667 ( 0.515 0.000 2.035) 2.099 9.720 ( -1.116 0.000 -1.933) 2.232 9.884 ( 3.310 0.000 1.416) 3.601 9.893 ( -1.367 0.000 0.526) 1.465 10.152 ( 5.039 0.000 10.613) 11.748 10.322 ( -0.084 0.000 -1.950) 1.951 10.404 ( 1.985 0.000 4.110) 4.564 10.472 ( -2.920 0.000 -2.092) 3.592 10.561 ( -7.745 0.000 0.483) 7.760 10.761 ( 1.932 0.000 -20.481) 20.572 10.881 ( 0.754 0.000 6.374) 6.419 11.013 ( 5.239 0.000 -6.536) 8.377 11.677 ( 1.653 0.000 -0.735) 1.809 11.688 ( -1.090 0.000 -2.367) 2.606 11.929 ( -0.807 0.000 10.906) 10.936 12.179 ( 4.242 0.000 -11.242) 12.016 12.579 ( -4.436 0.000 1.014) 4.551 12.632 ( 3.326 0.000 -3.385) 4.746 13.189 ( 4.652 0.000 7.470) 8.800 13.331 ( -3.863 0.000 -6.042) 7.171 13.480 ( 9.112 0.000 15.612) 18.076 13.546 ( -1.418 0.000 0.632) 1.553 13.643 ( 10.451 0.000 8.260) 13.322 14.043 ( -11.396 0.000 2.263) 11.619 14.059 ( -19.467 0.000 -19.243) 27.373 14.126 ( 0.453 0.000 -7.553) 7.566 14.392 ( -5.025 0.000 4.004) 6.426 14.484 ( 7.634 0.000 -5.039) 9.147 15.943 ( 0.156 0.000 6.367) 6.369 16.093 ( 1.164 0.000 -7.905) 7.990 16.271 ( 4.836 0.000 6.451) 8.062 16.424 ( -3.012 0.000 -9.574) 10.037 16.848 ( -3.659 0.000 5.771) 6.833 16.981 ( 2.688 0.000 -7.262) 7.744 17.666 ( 10.967 0.000 5.494) 12.266 17.685 ( -18.526 0.000 4.093) 18.973 18.390 ( 4.749 0.000 -4.733) 6.705 18.399 ( -0.201 0.000 -4.961) 4.965 19.117 ( 6.747 0.000 2.931) 7.356 19.140 ( -6.156 0.000 0.374) 6.167 19.808 ( 0.087 0.000 1.106) 1.109 19.825 ( 0.027 0.000 -0.559) 0.560 20.288 ( -3.076 0.000 1.579) 3.457 20.294 ( 4.843 0.000 1.597) 5.100 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -33.356 0.000 8.832) 34.506 1.551 ( -31.773 0.000 14.760) 35.034 2.576 ( 15.513 0.000 4.309) 16.101 2.632 ( 20.917 0.000 0.428) 20.921 2.822 ( -39.040 0.000 27.692) 47.865 2.946 ( -5.064 0.000 -4.377) 6.694 3.055 ( 3.161 0.000 -25.407) 25.603 3.350 ( -3.938 0.000 -6.535) 7.630 3.547 ( -4.256 0.000 2.007) 4.706 3.751 ( 6.520 0.000 -7.392) 9.857 3.753 ( 4.097 0.000 -0.038) 4.097 3.984 ( -1.359 0.000 5.049) 5.229 4.092 ( 15.081 0.000 8.920) 17.522 4.124 ( -3.745 0.000 -2.889) 4.730 4.289 ( -0.489 0.000 6.471) 6.490 4.346 ( 4.320 0.000 6.417) 7.736 4.733 ( 23.092 0.000 -7.201) 24.189 4.733 ( -9.243 0.000 -2.146) 9.489 4.854 ( -4.215 0.000 -8.866) 9.817 4.872 ( 11.987 0.000 -2.116) 12.172 5.100 ( 1.141 0.000 -5.266) 5.388 5.220 ( 2.499 0.000 3.283) 4.126 5.265 ( -6.575 0.000 -10.159) 12.101 5.317 ( 2.585 0.000 2.706) 3.742 5.401 ( -7.337 0.000 -2.052) 7.619 5.447 ( -6.264 0.000 -1.707) 6.493 5.591 ( 3.554 0.000 5.833) 6.830 5.695 ( 4.025 0.000 -9.211) 10.052 5.800 ( -5.444 0.000 1.032) 5.541 6.043 ( 8.149 0.000 4.441) 9.281 6.227 ( -1.626 0.000 3.595) 3.945 6.239 ( -10.866 0.000 1.622) 10.986 6.436 ( 8.419 0.000 -4.868) 9.725 6.481 ( -10.472 0.000 8.686) 13.605 6.515 ( 2.357 0.000 -0.868) 2.512 6.583 ( -0.676 0.000 -0.774) 1.028 6.615 ( 0.087 0.000 1.408) 1.411 6.685 ( 5.358 0.000 -0.032) 5.358 6.787 ( 7.553 0.000 5.178) 9.158 6.856 ( 0.224 0.000 -5.179) 5.184 6.864 ( 1.826 0.000 -7.492) 7.712 7.071 ( -5.057 0.000 0.068) 5.057 7.093 ( 7.622 0.000 0.116) 7.623 7.277 ( 8.639 0.000 5.492) 10.237 7.462 ( 0.271 0.000 -9.147) 9.151 7.509 ( -4.236 0.000 9.676) 10.563 7.813 ( 0.278 0.000 -4.557) 4.565 7.829 ( 4.514 0.000 2.151) 5.000 7.922 ( -3.665 0.000 4.118) 5.513 7.928 ( -0.494 0.000 -3.675) 3.708 7.977 ( 2.123 0.000 9.617) 9.849 8.112 ( 1.580 0.000 1.142) 1.950 8.159 ( -13.249 0.000 -8.017) 15.485 8.425 ( -7.688 0.000 -8.184) 11.229 8.459 ( -5.169 0.000 0.436) 5.187 8.526 ( 3.838 0.000 6.243) 7.328 8.769 ( 3.852 0.000 1.833) 4.266 8.788 ( -4.353 0.000 6.909) 8.166 8.981 ( -3.130 0.000 -0.042) 3.131 8.996 ( -2.970 0.000 -6.737) 7.363 9.109 ( -4.788 0.000 2.063) 5.213 9.222 ( 2.317 0.000 0.953) 2.506 9.258 ( 6.830 0.000 -6.047) 9.122 9.388 ( 9.504 0.000 5.113) 10.793 9.684 ( -2.258 0.000 2.770) 3.574 9.718 ( 2.637 0.000 1.029) 2.831 9.852 ( -0.643 0.000 -1.623) 1.746 9.923 ( -0.912 0.000 -3.192) 3.319 10.193 ( -4.276 0.000 -12.010) 12.748 10.274 ( -2.643 0.000 2.200) 3.439 10.394 ( -4.186 0.000 -4.173) 5.911 10.468 ( -5.231 0.000 16.143) 16.969 10.506 ( 3.112 0.000 2.730) 4.140 10.678 ( 3.583 0.000 -6.038) 7.021 10.968 ( 4.073 0.000 2.374) 4.715 11.061 ( 8.031 0.000 -10.205) 12.986 11.633 ( -2.824 0.000 -1.759) 3.327 11.678 ( -1.735 0.000 0.576) 1.828 11.976 ( -4.097 0.000 9.465) 10.314 12.083 ( -0.371 0.000 -15.887) 15.892 12.472 ( -9.197 0.000 4.317) 10.160 12.633 ( -0.299 0.000 -1.984) 2.006 13.152 ( -9.577 0.000 -6.948) 11.832 13.328 ( 3.483 0.000 6.664) 7.519 13.441 ( -12.004 0.000 -13.459) 18.035 13.538 ( -2.921 0.000 -1.231) 3.170 13.551 ( -7.900 0.000 -6.921) 10.503 14.016 ( 3.684 0.000 10.178) 10.824 14.204 ( 15.279 0.000 25.358) 29.605 14.282 ( 13.180 0.000 0.846) 13.207 14.342 ( 4.754 0.000 8.425) 9.674 14.534 ( 3.767 0.000 -5.681) 6.817 16.008 ( 0.479 0.000 5.807) 5.827 16.040 ( 1.101 0.000 -8.991) 9.058 16.257 ( -5.286 0.000 -7.724) 9.360 16.398 ( 2.507 0.000 5.706) 6.232 16.847 ( -2.509 0.000 7.511) 7.919 16.979 ( 3.360 0.000 -5.667) 6.588 17.398 ( -16.616 0.000 3.960) 17.082 17.868 ( 1.369 0.000 10.120) 10.212 18.373 ( 4.962 0.000 -7.967) 9.386 18.423 ( 2.478 0.000 -1.543) 2.919 19.036 ( -4.453 0.000 -0.966) 4.557 19.263 ( 7.126 0.000 0.190) 7.128 19.803 ( -1.629 0.000 0.880) 1.851 19.809 ( -0.843 0.000 -0.996) 1.305 20.232 ( -3.053 0.000 -0.556) 3.103 20.372 ( 3.160 0.000 -2.877) 4.273 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -15.684 0.000 25.754) 30.154 1.406 ( -8.937 0.000 38.400) 39.426 2.356 ( -30.630 0.000 47.006) 56.104 2.524 ( -18.087 0.000 -22.833) 29.129 2.761 ( 1.981 0.000 -29.675) 29.741 3.013 ( 7.503 0.000 5.958) 9.581 3.057 ( 14.593 0.000 2.404) 14.789 3.461 ( 14.752 0.000 -0.272) 14.755 3.499 ( -3.560 0.000 6.631) 7.526 3.824 ( 7.181 0.000 -11.167) 13.277 3.845 ( 1.184 0.000 5.035) 5.172 3.946 ( -4.051 0.000 -6.635) 7.774 4.053 ( 4.526 0.000 0.244) 4.532 4.283 ( -6.089 0.000 -0.105) 6.089 4.284 ( 3.970 0.000 -20.511) 20.891 4.411 ( 0.450 0.000 4.751) 4.772 4.645 ( -10.876 0.000 6.576) 12.710 4.713 ( -0.928 0.000 4.273) 4.373 4.834 ( 1.285 0.000 -14.807) 14.863 4.887 ( -6.243 0.000 -4.747) 7.843 5.036 ( -0.874 0.000 -5.010) 5.086 5.177 ( -1.378 0.000 0.846) 1.617 5.211 ( -1.531 0.000 -1.893) 2.434 5.283 ( -1.189 0.000 -1.356) 1.804 5.428 ( 7.828 0.000 1.810) 8.034 5.530 ( 4.601 0.000 -1.247) 4.767 5.662 ( -6.724 0.000 4.527) 8.106 5.671 ( 4.639 0.000 1.053) 4.757 5.769 ( 10.853 0.000 5.156) 12.015 6.098 ( -2.565 0.000 -4.972) 5.594 6.135 ( 1.249 0.000 0.271) 1.278 6.259 ( 0.507 0.000 -7.862) 7.878 6.344 ( -9.351 0.000 12.539) 15.642 6.441 ( -10.726 0.000 0.151) 10.727 6.491 ( 1.923 0.000 -4.432) 4.832 6.582 ( -6.338 0.000 5.767) 8.569 6.657 ( 7.804 0.000 -4.671) 9.095 6.765 ( 4.282 0.000 -1.454) 4.522 6.817 ( 3.193 0.000 -2.276) 3.921 6.924 ( 7.910 0.000 -7.393) 10.827 7.034 ( 2.156 0.000 7.488) 7.793 7.062 ( 8.677 0.000 4.865) 9.948 7.211 ( 2.866 0.000 -1.889) 3.433 7.349 ( 2.769 0.000 2.601) 3.799 7.472 ( -4.898 0.000 5.016) 7.011 7.499 ( -2.011 0.000 -1.135) 2.309 7.821 ( 6.208 0.000 1.835) 6.474 7.845 ( -0.710 0.000 -3.036) 3.118 7.863 ( -5.219 0.000 -4.872) 7.140 7.891 ( -0.525 0.000 -4.666) 4.695 7.976 ( -0.574 0.000 5.574) 5.604 8.148 ( -1.476 0.000 -1.480) 2.090 8.199 ( 10.674 0.000 4.729) 11.675 8.200 ( -7.409 0.000 0.747) 7.446 8.305 ( -9.230 0.000 0.721) 9.258 8.576 ( -1.188 0.000 -1.652) 2.035 8.644 ( -11.864 0.000 4.491) 12.685 8.815 ( 1.853 0.000 -3.895) 4.313 8.967 ( 2.672 0.000 -0.353) 2.695 9.021 ( 3.489 0.000 -2.071) 4.058 9.085 ( 2.102 0.000 -2.057) 2.941 9.245 ( -1.334 0.000 2.992) 3.276 9.331 ( 4.838 0.000 -3.287) 5.849 9.488 ( 3.558 0.000 -3.705) 5.137 9.583 ( -17.071 0.000 -17.859) 24.706 9.621 ( -7.263 0.000 3.861) 8.226 9.830 ( 1.222 0.000 2.905) 3.152 9.861 ( 2.557 0.000 -1.300) 2.869 10.197 ( -5.253 0.000 1.765) 5.542 10.211 ( 8.320 0.000 4.789) 9.600 10.276 ( -3.782 0.000 -2.726) 4.662 10.484 ( -3.855 0.000 7.373) 8.320 10.599 ( -2.549 0.000 8.945) 9.301 10.732 ( 7.149 0.000 -6.632) 9.751 11.071 ( 5.756 0.000 0.440) 5.773 11.131 ( 5.934 0.000 -3.223) 6.753 11.555 ( -2.463 0.000 -1.803) 3.052 11.624 ( -5.686 0.000 2.759) 6.319 11.972 ( -3.848 0.000 7.126) 8.099 12.009 ( 6.679 0.000 -7.998) 10.420 12.347 ( -8.694 0.000 6.325) 10.752 12.597 ( -1.539 0.000 -1.528) 2.169 12.892 ( -13.800 0.000 -1.172) 13.850 13.022 ( -11.601 0.000 -17.687) 21.152 13.456 ( 2.000 0.000 4.184) 4.637 13.489 ( -0.869 0.000 -0.989) 1.316 13.528 ( 4.738 0.000 2.097) 5.182 14.089 ( -8.736 0.000 -2.127) 8.992 14.213 ( 2.480 0.000 8.086) 8.457 14.503 ( 5.105 0.000 -6.187) 8.021 14.594 ( 10.211 0.000 6.719) 12.223 15.042 ( 21.973 0.000 8.721) 23.641 16.019 ( 7.596 0.000 -3.367) 8.309 16.048 ( -1.273 0.000 4.113) 4.305 16.206 ( 7.148 0.000 -0.316) 7.155 16.451 ( -1.756 0.000 3.981) 4.351 16.939 ( 5.466 0.000 11.254) 12.511 17.002 ( 4.365 0.000 -4.546) 6.303 17.176 ( -10.883 0.000 5.552) 12.217 17.829 ( -14.170 0.000 7.560) 16.061 18.460 ( 1.942 0.000 0.570) 2.024 18.461 ( 10.107 0.000 -6.521) 12.028 18.988 ( 1.026 0.000 -0.481) 1.133 19.331 ( 0.419 0.000 -4.623) 4.642 19.768 ( -2.807 0.000 0.969) 2.969 19.785 ( -0.521 0.000 -1.294) 1.395 20.182 ( -1.006 0.000 -1.539) 1.838 20.307 ( -6.211 0.000 -5.698) 8.429 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.846 27.027 25.739) 37.332 1.932 ( -1.892 18.199 33.663) 38.315 2.251 ( -4.506 21.196 -24.655) 32.824 2.592 ( 1.866 9.927 -26.990) 28.818 2.699 ( 10.191 10.242 39.070) 41.656 3.142 ( -6.371 2.425 7.069) 9.821 3.230 ( 6.739 -2.404 -5.081) 8.775 3.507 ( 0.644 -0.144 -13.195) 13.211 3.694 ( 4.014 3.001 -1.173) 5.147 3.724 ( -4.796 -1.570 -0.054) 5.047 3.802 ( 2.048 6.461 -2.492) 7.221 3.902 ( -2.005 6.020 -6.849) 9.336 4.097 ( -12.497 -5.274 1.435) 13.640 4.149 ( 8.877 -2.044 -3.593) 9.792 4.368 ( -14.314 6.974 -1.813) 16.026 4.404 ( 5.327 2.463 1.412) 6.036 4.493 ( 5.707 5.938 -0.242) 8.240 4.656 ( -1.646 2.167 -13.622) 13.891 4.799 ( 6.182 -2.544 5.895) 8.912 4.886 ( -0.905 1.706 -1.204) 2.275 5.012 ( -3.023 -0.925 -2.148) 3.822 5.047 ( -3.870 0.324 -3.244) 5.060 5.229 ( 5.708 -0.984 5.748) 8.160 5.288 ( 2.322 -0.035 -0.397) 2.356 5.388 ( -6.012 -2.379 3.617) 7.408 5.497 ( -1.062 -3.942 -5.934) 7.203 5.706 ( 1.558 -6.682 9.138) 11.427 5.852 ( 0.270 -1.824 -5.065) 5.391 5.875 ( 5.906 2.444 7.354) 9.743 6.049 ( -3.312 -2.344 -8.000) 8.970 6.169 ( 8.889 1.749 6.021) 10.878 6.226 ( -8.443 3.467 0.842) 9.166 6.325 ( -4.701 -2.177 4.306) 6.736 6.405 ( -2.179 -1.810 5.781) 6.438 6.481 ( 3.413 1.034 -1.849) 4.017 6.513 ( 3.072 -2.109 5.564) 6.696 6.605 ( 1.246 -0.767 -5.017) 5.226 6.789 ( -2.628 1.227 -1.834) 3.432 6.856 ( -6.738 0.573 -8.396) 10.781 6.900 ( 3.272 2.315 -9.588) 10.392 7.070 ( -1.206 -7.262 5.085) 8.947 7.134 ( 4.686 -4.706 -0.520) 6.662 7.229 ( 4.510 0.711 8.051) 9.256 7.365 ( -4.452 3.279 -1.299) 5.680 7.425 ( 5.569 -5.165 2.844) 8.110 7.505 ( -5.500 -11.593 -6.215) 14.257 7.612 ( 2.460 0.712 6.602) 7.081 7.746 ( -1.435 -3.428 -5.009) 6.238 7.828 ( 0.224 -0.912 2.647) 2.808 7.914 ( -5.858 -3.642 -1.188) 6.999 7.971 ( 1.514 -1.455 -2.062) 2.943 8.028 ( -1.779 -1.934 -5.244) 5.865 8.188 ( 6.651 -3.819 4.034) 8.666 8.225 ( -6.909 1.368 0.789) 7.087 8.426 ( 2.893 -1.644 5.405) 6.347 8.524 ( -2.071 1.697 -4.609) 5.330 8.609 ( 3.214 4.056 9.058) 10.432 8.804 ( -2.096 4.417 -9.095) 10.326 8.903 ( -3.491 -2.303 4.730) 6.314 9.013 ( -1.360 -0.990 -6.489) 6.704 9.220 ( -3.390 0.884 3.993) 5.312 9.251 ( 3.844 1.243 1.108) 4.189 9.314 ( -0.309 7.019 0.408) 7.037 9.388 ( 1.517 1.809 -5.042) 5.567 9.494 ( -6.121 -0.965 4.417) 7.610 9.566 ( 4.229 0.513 -2.207) 4.798 9.760 ( 0.223 -8.240 2.479) 8.608 9.825 ( 0.055 -6.486 -3.843) 7.539 10.182 ( -1.027 2.504 2.588) 3.745 10.232 ( 0.035 1.495 -2.222) 2.678 10.395 ( 8.214 -1.537 3.096) 8.911 10.435 ( -4.758 -1.722 0.206) 5.064 10.566 ( -7.465 -0.006 9.871) 12.376 10.773 ( 5.908 -2.555 -8.543) 10.696 11.119 ( 9.520 -4.660 0.544) 10.613 11.155 ( -4.795 -1.299 -3.423) 6.032 11.506 ( -7.092 -1.478 3.738) 8.152 11.574 ( 7.120 -0.032 -3.181) 7.799 11.967 ( -1.994 -0.152 4.454) 4.882 12.067 ( 5.500 -2.017 -4.730) 7.529 12.329 ( -0.612 -0.353 11.439) 11.461 12.547 ( -1.273 0.882 -7.696) 7.850 12.690 ( -6.188 -0.081 1.377) 6.339 12.815 ( 1.749 0.556 -9.010) 9.195 13.480 ( 1.327 1.796 1.971) 2.978 13.504 ( -1.003 2.751 -0.443) 2.962 13.796 ( 10.854 3.777 4.954) 12.515 13.891 ( -10.104 2.532 -4.412) 11.312 14.348 ( -1.972 1.340 6.766) 7.173 14.469 ( 1.447 0.317 -4.753) 4.978 14.782 ( 9.783 -8.296 8.435) 15.352 14.938 ( -10.329 -8.224 -6.709) 14.810 16.067 ( -3.094 2.785 3.113) 5.198 16.148 ( 2.999 2.695 -4.236) 5.848 16.323 ( -7.832 -3.998 2.417) 9.120 16.390 ( 12.769 -4.345 -3.463) 13.925 17.023 ( 1.633 2.598 6.013) 6.751 17.094 ( -2.719 3.794 -0.532) 4.698 17.591 ( -16.157 5.650 2.170) 17.254 17.676 ( 26.152 12.277 -6.527) 29.618 18.470 ( -2.906 -1.104 2.080) 3.741 18.541 ( 3.728 0.372 -4.755) 6.054 18.952 ( -5.986 -10.128 5.119) 12.830 19.034 ( -0.357 -8.946 -2.899) 9.411 19.781 ( -0.224 3.157 1.941) 3.713 19.818 ( -0.274 3.615 -1.611) 3.967 20.142 ( -2.266 0.490 4.971) 5.485 20.244 ( -0.764 3.516 -5.445) 6.526 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.058 20.335 -1.473) 20.389 2.082 ( 9.253 17.053 15.133) 24.605 2.300 ( 3.865 13.723 -19.652) 24.279 2.338 ( 9.222 15.549 11.340) 21.340 2.939 ( -6.295 0.205 -6.163) 8.812 3.223 ( 5.281 -4.313 -8.954) 11.254 3.388 ( -2.459 -0.064 -20.950) 21.094 3.455 ( 16.112 6.275 22.493) 28.371 3.564 ( -7.832 8.143 -6.039) 12.811 3.731 ( -4.493 -0.637 8.479) 9.616 3.786 ( -10.449 5.626 0.018) 11.867 3.885 ( 7.658 7.855 2.161) 11.182 3.923 ( 6.046 4.050 4.491) 8.551 4.074 ( -5.516 4.713 1.036) 7.329 4.300 ( 5.131 -5.514 -1.413) 7.663 4.527 ( -0.788 2.970 -1.888) 3.606 4.596 ( 2.899 4.864 3.007) 6.412 4.684 ( 2.613 -2.089 3.350) 4.734 4.818 ( -1.153 1.793 1.585) 2.656 4.851 ( 7.508 0.805 -8.933) 11.697 5.024 ( 1.116 -1.292 -0.903) 1.931 5.081 ( 0.334 -3.496 0.723) 3.586 5.242 ( 1.224 0.642 0.778) 1.586 5.285 ( 1.290 -2.841 -1.002) 3.277 5.407 ( -4.074 2.572 5.525) 7.330 5.504 ( -2.280 0.463 0.177) 2.333 5.643 ( -5.091 -1.814 -2.977) 6.170 5.818 ( -7.041 2.425 -2.652) 7.905 5.914 ( 2.202 -6.104 -6.124) 8.923 5.997 ( -8.499 -1.556 -3.780) 9.430 6.040 ( -0.048 2.759 5.448) 6.107 6.199 ( -4.392 0.973 4.590) 6.427 6.340 ( 0.049 -5.232 0.746) 5.285 6.388 ( 2.518 -0.779 8.904) 9.286 6.521 ( -1.114 -2.834 -1.278) 3.302 6.575 ( 1.078 -7.598 -7.672) 10.851 6.657 ( 3.678 1.373 -0.423) 3.949 6.782 ( 1.834 5.763 9.821) 11.534 6.818 ( 2.679 0.951 0.859) 2.970 6.882 ( -0.647 3.199 -6.189) 6.997 6.997 ( -5.493 -7.232 0.218) 9.084 7.160 ( -0.498 -4.444 -6.135) 7.592 7.214 ( -5.732 1.356 -2.705) 6.481 7.320 ( -3.196 -9.568 -1.521) 10.202 7.407 ( 1.864 -0.023 2.190) 2.876 7.557 ( 1.034 -6.655 -0.476) 6.752 7.667 ( 3.882 2.574 -1.516) 4.899 7.729 ( 2.955 -2.042 4.487) 5.747 7.773 ( -4.091 -3.027 2.134) 5.519 7.882 ( -2.996 -4.087 5.390) 7.398 7.959 ( -2.602 2.432 1.102) 3.728 8.037 ( 6.169 -2.218 2.037) 6.865 8.149 ( -1.383 -4.718 -2.235) 5.400 8.365 ( 4.966 -1.584 0.997) 5.307 8.416 ( -4.971 3.100 -3.245) 6.697 8.474 ( 0.349 -2.210 3.658) 4.288 8.737 ( 5.496 0.536 -6.019) 8.169 8.755 ( 1.587 5.797 6.159) 8.606 8.924 ( -1.552 -2.634 4.791) 5.683 8.953 ( -3.405 1.053 3.932) 5.307 9.121 ( -3.599 6.290 -4.248) 8.400 9.257 ( -2.360 1.763 5.089) 5.880 9.321 ( 0.475 -3.236 -3.525) 4.809 9.370 ( -7.108 -0.868 1.312) 7.280 9.484 ( 7.502 3.699 -0.474) 8.378 9.668 ( 5.515 -0.742 -1.201) 5.693 9.800 ( 2.673 -3.727 1.909) 4.968 9.822 ( 1.173 -6.338 -1.595) 6.640 10.196 ( 0.778 0.115 2.228) 2.363 10.254 ( -1.121 1.076 -1.655) 2.270 10.316 ( -0.827 0.931 -2.118) 2.457 10.523 ( 3.544 0.992 0.792) 3.764 10.570 ( -1.674 1.237 8.976) 9.214 10.780 ( 1.454 -5.605 -5.453) 7.954 11.034 ( -2.269 -4.000 -9.770) 10.798 11.239 ( 0.349 5.790 -1.766) 6.064 11.442 ( 0.897 -6.024 2.647) 6.641 11.675 ( 6.352 -1.831 -3.097) 7.300 11.905 ( -6.723 0.233 0.280) 6.733 12.105 ( 4.517 -1.281 -5.034) 6.883 12.383 ( 1.296 -4.599 3.071) 5.680 12.538 ( -0.682 -0.996 3.326) 3.539 12.745 ( 9.427 0.621 3.806) 10.185 12.852 ( 6.320 -2.089 -0.776) 6.702 13.464 ( -0.535 -0.046 -0.562) 0.778 13.559 ( 1.859 3.855 -0.807) 4.355 13.685 ( -4.401 6.941 -3.174) 8.810 14.048 ( 10.219 0.592 2.361) 10.505 14.302 ( -6.025 -0.420 4.262) 7.392 14.458 ( -0.613 3.038 -3.339) 4.555 14.643 ( -13.485 -6.827 -5.106) 15.954 14.948 ( -1.430 -8.392 5.212) 9.982 16.003 ( -6.867 4.036 2.524) 8.355 16.160 ( -0.295 0.116 -0.972) 1.023 16.180 ( -3.508 -0.420 -2.255) 4.192 16.526 ( 6.987 -0.838 -6.881) 9.842 17.013 ( -3.166 6.854 1.549) 7.707 17.165 ( 4.663 2.409 1.220) 5.389 17.287 ( -10.244 3.663 -2.995) 11.284 18.062 ( 19.905 3.625 -12.161) 23.605 18.327 ( -14.477 -1.800 5.104) 15.455 18.516 ( -0.669 0.775 -4.514) 4.629 18.863 ( -2.247 -5.608 5.758) 8.345 19.137 ( 3.732 -8.137 2.840) 9.392 19.760 ( -1.244 1.404 0.523) 1.948 19.849 ( 2.158 4.476 0.046) 4.969 20.122 ( -1.304 -0.131 3.199) 3.458 20.273 ( 3.141 2.586 1.146) 4.227 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 9.215 18.456 -14.290) 25.095 2.186 ( 17.047 15.610 -21.335) 31.456 2.448 ( 9.936 1.399 20.129) 22.491 2.656 ( -22.403 4.720 -7.147) 23.985 2.848 ( 18.657 11.320 21.289) 30.487 2.982 ( -22.256 14.224 -6.363) 27.169 3.197 ( -7.904 -0.872 4.321) 9.050 3.415 ( 14.694 -1.013 -6.663) 16.166 3.587 ( -3.186 4.575 -4.839) 7.382 3.732 ( 3.012 2.602 -7.017) 8.067 3.857 ( 6.853 0.251 -4.093) 7.986 3.989 ( 2.202 3.028 2.154) 4.320 4.115 ( 4.108 1.241 -0.116) 4.293 4.271 ( 10.128 7.045 1.676) 12.450 4.366 ( 0.401 -1.845 -9.836) 10.015 4.471 ( -3.530 7.212 12.078) 14.504 4.598 ( -2.319 7.943 1.056) 8.342 4.683 ( -0.882 -3.640 -1.735) 4.128 4.815 ( -9.593 -1.975 -2.641) 10.144 4.877 ( -1.966 -0.598 -1.012) 2.291 4.930 ( -2.782 2.844 11.156) 11.844 5.079 ( 1.913 1.226 -1.062) 2.508 5.258 ( -5.478 2.549 0.804) 6.095 5.338 ( 6.552 6.938 4.209) 10.430 5.357 ( 5.244 -3.548 -0.240) 6.336 5.456 ( -1.310 0.012 6.299) 6.434 5.524 ( -7.077 -4.622 -1.692) 8.621 5.747 ( -6.264 -4.076 -12.710) 14.745 5.808 ( 3.044 1.848 -0.047) 3.562 5.908 ( -2.591 -5.279 4.747) 7.558 6.135 ( 3.920 -2.633 6.020) 7.651 6.277 ( 3.871 -0.862 3.239) 5.120 6.367 ( -1.717 -2.327 -2.415) 3.768 6.413 ( -0.560 -3.600 4.992) 6.180 6.536 ( -1.719 -4.132 -2.491) 5.122 6.575 ( 5.996 -3.247 4.688) 8.275 6.712 ( -6.532 -0.519 -1.862) 6.812 6.730 ( -4.223 3.084 -1.296) 5.388 6.780 ( 0.363 -0.214 -1.273) 1.341 6.874 ( -3.247 -0.470 -0.170) 3.286 6.899 ( 2.291 -3.379 -8.238) 9.194 7.057 ( 0.028 -1.981 -2.960) 3.562 7.137 ( -5.074 0.785 -2.273) 5.615 7.315 ( -1.547 -7.570 -1.962) 7.971 7.349 ( 0.037 1.752 -2.730) 3.244 7.551 ( -1.629 -6.624 -5.162) 8.554 7.735 ( 1.643 3.014 3.803) 5.123 7.769 ( -0.594 -2.670 5.296) 5.961 7.867 ( 5.621 0.126 0.019) 5.623 7.908 ( 0.299 -4.564 7.093) 8.440 7.987 ( 1.176 -2.172 6.853) 7.284 8.070 ( 0.307 -3.991 -2.661) 4.806 8.201 ( 2.424 3.195 6.090) 7.292 8.320 ( 0.527 -4.739 -1.131) 4.900 8.374 ( -1.041 4.484 -2.040) 5.035 8.573 ( 4.413 -3.292 6.142) 8.249 8.733 ( -6.866 4.856 3.565) 9.134 8.834 ( 2.713 -4.756 -2.480) 6.011 8.915 ( -3.802 6.469 5.285) 9.178 8.951 ( 2.872 -1.945 3.877) 5.203 9.094 ( 2.737 0.512 -2.067) 3.468 9.191 ( -6.800 1.256 1.022) 6.991 9.287 ( 0.499 -1.843 -5.485) 5.808 9.327 ( -2.880 -6.934 1.577) 7.672 9.606 ( 5.413 0.528 1.297) 5.591 9.710 ( 1.023 -2.600 -1.289) 3.077 9.833 ( 1.880 -3.056 1.869) 4.046 9.897 ( 4.004 5.013 2.842) 7.017 10.155 ( -3.183 2.854 -0.837) 4.356 10.267 ( 2.986 -0.861 3.699) 4.831 10.374 ( 3.582 3.595 -0.075) 5.076 10.552 ( -0.671 2.395 -0.582) 2.555 10.627 ( 0.976 0.322 1.484) 1.805 10.773 ( 1.250 -6.529 1.634) 6.846 10.863 ( -3.448 -3.191 -15.004) 15.722 11.131 ( -5.989 6.115 -4.334) 9.594 11.550 ( 6.143 -5.205 0.745) 8.086 11.733 ( 0.787 0.130 -3.201) 3.299 11.821 ( -0.346 -2.553 3.457) 4.311 12.142 ( 4.749 -2.284 -6.847) 8.640 12.464 ( 3.329 -6.583 2.469) 7.780 12.561 ( -0.532 -1.673 2.681) 3.204 12.908 ( 5.296 -8.245 5.468) 11.222 13.056 ( 9.470 -2.787 6.821) 11.999 13.463 ( -3.351 -0.029 -2.648) 4.271 13.468 ( 1.215 -0.447 -3.130) 3.387 13.777 ( 9.841 15.367 1.747) 18.332 14.066 ( -6.212 -5.965 -1.591) 8.758 14.253 ( -11.956 -5.907 -7.392) 15.248 14.359 ( 4.305 3.155 4.792) 7.173 14.505 ( -0.693 2.367 -1.385) 2.828 14.743 ( -18.988 0.888 -6.782) 20.182 15.930 ( -1.997 2.832 3.249) 4.751 16.134 ( -1.038 0.788 0.334) 1.345 16.185 ( 3.420 2.152 -0.934) 4.148 16.531 ( 1.527 0.717 -8.839) 8.999 16.972 ( -4.364 8.188 3.945) 10.082 17.073 ( -1.258 5.314 -6.976) 8.860 17.389 ( 10.410 -2.392 3.727) 11.313 17.968 ( -16.385 -2.039 0.657) 16.525 18.325 ( 8.596 1.086 -5.457) 10.240 18.459 ( -1.149 0.776 -4.103) 4.331 18.938 ( 4.129 -3.946 4.418) 7.221 19.164 ( -3.169 -6.096 2.592) 7.344 19.768 ( 1.615 -0.332 0.545) 1.736 19.860 ( -1.136 2.782 0.140) 3.008 20.184 ( 4.699 -0.396 2.316) 5.254 20.317 ( -0.918 1.507 2.858) 3.359 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -23.375 7.785 -0.109) 24.638 2.179 ( 14.104 7.393 -8.676) 18.135 2.404 ( -29.923 17.961 0.861) 34.911 2.463 ( 23.155 17.781 -5.925) 29.789 2.838 ( 10.448 2.738 12.370) 16.421 3.114 ( 1.144 -0.949 -9.031) 9.152 3.424 ( 14.321 0.671 14.651) 20.498 3.450 ( -15.226 5.397 8.979) 18.482 3.644 ( 8.594 6.224 2.005) 10.799 3.669 ( -2.029 -0.091 -10.357) 10.555 3.787 ( -13.841 -0.910 -2.778) 14.147 4.032 ( -4.555 13.767 -7.070) 16.133 4.081 ( -0.901 3.605 2.353) 4.399 4.184 ( -4.034 1.149 2.725) 5.002 4.227 ( 0.198 3.935 -3.210) 5.083 4.447 ( 13.942 5.150 -14.983) 21.105 4.510 ( -17.354 3.435 2.135) 17.819 4.622 ( 13.548 4.136 -6.703) 15.671 4.852 ( 1.663 -0.833 7.087) 7.327 4.950 ( 2.650 0.867 0.193) 2.795 5.101 ( 3.010 -3.624 5.962) 7.599 5.136 ( 1.441 -1.030 7.630) 7.833 5.258 ( -5.339 0.636 -2.224) 5.818 5.283 ( 4.314 -4.481 -2.660) 6.765 5.471 ( 2.496 -2.286 0.921) 3.508 5.518 ( -4.426 -0.268 2.585) 5.132 5.534 ( 5.293 -2.185 -1.611) 5.949 5.571 ( 0.311 -2.998 -3.784) 4.838 5.807 ( -1.446 -2.545 3.718) 4.732 5.921 ( 0.990 1.547 -1.600) 2.436 6.237 ( -3.692 -0.698 5.739) 6.859 6.296 ( 5.545 -7.852 0.313) 9.618 6.366 ( -1.704 -1.484 3.201) 3.918 6.479 ( -5.736 0.134 -0.659) 5.775 6.517 ( 4.060 -1.195 6.045) 7.380 6.546 ( -1.915 -0.146 1.558) 2.474 6.622 ( -1.569 -0.826 -3.886) 4.272 6.699 ( 0.019 -0.161 -0.821) 0.837 6.725 ( -3.673 1.529 -0.372) 3.996 6.876 ( 0.026 -1.183 -6.339) 6.449 6.896 ( 7.635 -2.564 1.483) 8.190 7.040 ( -4.011 0.258 -8.192) 9.125 7.095 ( -0.199 -5.021 0.935) 5.111 7.148 ( 0.187 2.005 -6.813) 7.104 7.383 ( 1.713 -1.187 3.787) 4.322 7.509 ( -0.636 -8.941 -6.288) 10.949 7.769 ( -0.949 0.499 4.059) 4.198 7.830 ( 0.523 -0.976 2.502) 2.736 7.862 ( -3.804 -0.909 5.640) 6.863 7.925 ( 3.132 2.497 -2.746) 4.857 8.055 ( -1.515 0.441 3.569) 3.902 8.113 ( -0.284 -4.122 -0.382) 4.150 8.250 ( 2.189 0.232 5.181) 5.629 8.358 ( -1.078 -5.981 -0.866) 6.139 8.457 ( 7.231 -0.053 4.336) 8.432 8.579 ( -3.978 0.182 -5.093) 6.465 8.686 ( -4.123 -1.152 8.773) 9.761 8.831 ( 0.687 3.919 -3.166) 5.084 8.940 ( 1.940 -2.042 10.104) 10.489 9.074 ( -0.326 -3.347 6.921) 7.694 9.084 ( -1.077 -0.940 -4.020) 4.266 9.136 ( 1.899 -1.497 0.646) 2.503 9.213 ( -5.906 -4.405 -3.999) 8.383 9.253 ( 2.589 -1.563 -6.734) 7.381 9.673 ( 0.654 1.041 1.266) 1.765 9.701 ( -0.193 -0.633 -1.264) 1.427 9.925 ( -0.529 -0.627 4.621) 4.693 9.969 ( 3.720 4.723 -0.197) 6.015 10.167 ( 2.485 2.653 7.988) 8.776 10.329 ( -0.701 -0.094 -1.318) 1.496 10.421 ( 1.916 1.515 1.986) 3.148 10.491 ( -3.637 1.504 -3.340) 5.162 10.562 ( -7.991 -0.097 1.126) 8.071 10.702 ( 3.045 -4.068 -11.491) 12.565 10.898 ( 7.139 0.903 0.941) 7.257 10.999 ( -2.183 0.283 -6.221) 6.599 11.643 ( 2.028 -2.787 0.528) 3.487 11.679 ( -0.788 -0.469 -2.728) 2.878 11.912 ( 1.722 -2.190 7.275) 7.790 12.115 ( 0.397 -6.762 -11.663) 13.487 12.485 ( -5.973 -5.142 6.831) 10.430 12.583 ( 3.146 -2.113 -1.424) 4.048 13.062 ( 1.598 -9.061 9.373) 13.135 13.205 ( 3.694 -10.177 -1.571) 10.940 13.402 ( -0.249 1.021 1.548) 1.871 13.484 ( -0.057 -2.920 -3.968) 4.927 13.939 ( 1.395 2.699 2.849) 4.165 13.972 ( -5.650 -5.578 -0.591) 7.962 14.103 ( 10.423 10.736 2.926) 15.246 14.263 ( -18.039 11.225 -11.675) 24.243 14.444 ( 0.221 3.024 2.987) 4.256 14.519 ( 2.392 3.063 -4.017) 5.590 15.969 ( 0.433 2.570 5.704) 6.271 16.095 ( 0.272 0.464 -5.602) 5.628 16.285 ( 4.036 1.193 5.087) 6.602 16.434 ( -2.641 0.680 -9.777) 10.150 16.926 ( -4.974 7.089 5.481) 10.249 17.053 ( 4.886 6.505 -6.937) 10.692 17.622 ( 5.177 -3.156 7.100) 9.337 17.683 ( -11.386 -0.911 1.239) 11.489 18.396 ( 4.031 0.447 -4.195) 5.835 18.403 ( -0.281 0.628 -4.554) 4.605 19.068 ( 5.967 -4.471 2.968) 8.025 19.092 ( -5.605 -4.495 0.435) 7.198 19.813 ( 0.497 0.422 0.982) 1.178 19.826 ( -0.629 0.062 -0.292) 0.696 20.280 ( -3.086 0.051 2.314) 3.858 20.308 ( 4.675 0.641 -0.130) 4.721 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -22.258 16.864 14.164) 31.312 1.912 ( -26.774 27.183 8.805) 39.157 2.557 ( 19.750 2.692 2.343) 20.070 2.802 ( 5.495 3.925 -7.142) 9.829 2.847 ( -20.016 9.941 14.023) 26.384 3.075 ( 4.083 11.246 -2.091) 12.146 3.117 ( -8.845 5.731 -2.488) 10.829 3.406 ( -5.242 4.143 -15.551) 16.925 3.607 ( -1.141 3.875 4.128) 5.776 3.674 ( 2.265 -5.145 -3.623) 6.688 3.814 ( 1.694 7.536 0.313) 7.731 3.975 ( 2.813 -0.364 4.754) 5.536 4.128 ( -5.877 1.089 -4.142) 7.272 4.201 ( 10.780 7.614 8.213) 15.545 4.289 ( 3.329 1.543 -0.751) 3.745 4.414 ( 2.202 5.548 10.950) 12.472 4.644 ( -1.408 -5.259 -3.510) 6.478 4.759 ( 3.453 -2.379 -6.774) 7.967 4.855 ( -1.429 1.516 -2.543) 3.287 4.873 ( 7.086 -0.213 -0.391) 7.100 5.110 ( 3.991 1.534 -6.818) 8.047 5.213 ( -5.741 -3.682 -7.899) 10.436 5.282 ( 4.894 0.809 3.568) 6.110 5.338 ( 7.997 0.198 -0.063) 8.000 5.379 ( -4.526 0.455 1.855) 4.913 5.421 ( -7.522 0.053 -3.975) 8.508 5.542 ( 0.205 -3.581 4.964) 6.124 5.697 ( 5.851 -0.693 -7.957) 9.901 5.801 ( -4.225 2.188 1.418) 4.965 5.923 ( 5.281 -6.868 1.244) 8.752 6.189 ( -2.353 -5.021 0.545) 5.572 6.295 ( -7.169 0.773 1.720) 7.413 6.352 ( -4.684 -8.149 6.756) 11.575 6.428 ( -1.745 1.023 -2.134) 2.940 6.553 ( -1.247 -0.111 2.378) 2.688 6.588 ( 1.412 1.635 -4.315) 4.826 6.650 ( 4.992 -1.863 3.761) 6.522 6.683 ( 3.317 4.261 -0.311) 5.409 6.785 ( 3.275 -0.837 2.720) 4.339 6.828 ( 1.358 -2.938 -4.114) 5.234 6.906 ( 5.188 1.865 -1.910) 5.835 7.039 ( -0.358 -4.234 -1.776) 4.605 7.112 ( 3.388 0.975 0.617) 3.579 7.239 ( 8.171 -0.647 0.699) 8.226 7.373 ( -1.663 -6.163 2.929) 7.023 7.452 ( -0.897 -3.389 -2.321) 4.204 7.780 ( -3.461 -0.879 4.548) 5.782 7.823 ( 0.437 0.225 -2.897) 2.938 7.852 ( -1.872 -3.979 -1.071) 4.526 7.994 ( 1.986 -2.644 -1.609) 3.677 8.038 ( -2.299 3.196 2.122) 4.472 8.089 ( -0.649 0.832 2.604) 2.810 8.231 ( -5.412 0.629 -3.940) 6.724 8.301 ( -3.386 -6.957 3.443) 8.469 8.413 ( -4.276 0.994 -5.150) 6.767 8.610 ( 0.496 1.388 3.044) 3.382 8.748 ( -0.636 -2.475 5.571) 6.129 8.820 ( 1.769 5.017 -0.925) 5.399 8.917 ( -4.185 -3.945 -0.815) 5.809 9.031 ( 0.551 1.306 -3.554) 3.827 9.078 ( -5.031 -1.272 3.438) 6.225 9.180 ( 2.253 -2.805 1.709) 3.983 9.261 ( 9.041 -2.690 -1.302) 9.522 9.304 ( 6.617 -5.727 1.123) 8.823 9.654 ( -3.180 -2.591 -1.319) 4.309 9.687 ( -1.585 -0.151 0.407) 1.643 9.855 ( -6.679 -0.201 -0.202) 6.685 10.009 ( 1.062 3.299 -3.693) 5.065 10.201 ( -3.825 0.814 -7.246) 8.234 10.292 ( -0.658 0.231 4.384) 4.439 10.390 ( -4.057 0.393 -1.936) 4.512 10.468 ( -6.435 0.150 7.586) 9.949 10.515 ( 3.452 0.906 5.272) 6.366 10.706 ( 4.638 1.716 -3.795) 6.234 10.908 ( 1.866 -4.431 -7.311) 8.750 11.076 ( 8.717 2.639 0.873) 9.150 11.576 ( -4.684 -3.678 -1.883) 6.246 11.710 ( 1.122 1.334 -0.961) 1.990 11.928 ( -4.805 -7.336 -2.555) 9.133 12.003 ( -1.742 -2.913 0.535) 3.436 12.413 ( -7.873 -2.436 6.068) 10.235 12.622 ( 2.032 -0.654 -1.453) 2.582 13.011 ( -7.424 -9.949 -2.720) 12.708 13.257 ( -0.241 -8.822 -9.535) 12.992 13.368 ( -2.212 1.894 2.915) 4.120 13.434 ( -0.922 -3.036 1.928) 3.712 13.836 ( -12.329 11.925 -4.216) 17.663 13.996 ( 5.007 -2.548 5.781) 8.062 14.102 ( 5.661 -4.905 5.958) 9.571 14.414 ( 3.239 6.001 0.861) 6.873 14.507 ( 3.186 0.831 -0.110) 3.295 14.565 ( 18.394 12.318 6.019) 22.941 15.988 ( -0.930 0.033 -0.037) 0.931 16.091 ( 2.326 3.186 -1.050) 4.082 16.274 ( -4.596 1.702 -7.040) 8.578 16.391 ( 1.367 -0.728 4.845) 5.086 16.902 ( -3.109 5.241 6.162) 8.666 17.110 ( 7.983 10.852 -5.911) 14.712 17.405 ( -13.989 0.731 1.730) 14.114 17.847 ( 3.063 -1.971 9.947) 10.593 18.365 ( 3.176 -0.508 -6.709) 7.440 18.432 ( 2.624 0.780 -1.597) 3.169 18.991 ( -4.587 -4.018 -1.044) 6.187 19.186 ( 4.199 -6.905 0.793) 8.120 19.772 ( -2.330 -0.767 0.227) 2.464 19.861 ( 1.444 2.616 0.050) 2.988 20.201 ( -5.067 -1.499 0.557) 5.314 20.390 ( 3.908 0.746 -3.355) 5.204 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -5.295 19.064 32.162) 37.760 1.654 ( -9.413 38.302 17.009) 42.953 2.426 ( -22.492 6.766 28.786) 37.153 2.635 ( -12.399 10.815 -16.570) 23.351 2.890 ( -3.700 10.806 -18.156) 21.450 2.999 ( 10.038 1.974 2.556) 10.545 3.139 ( 6.212 4.133 1.414) 7.595 3.503 ( 14.661 5.154 -0.600) 15.553 3.570 ( -4.578 5.479 5.517) 9.023 3.718 ( 2.214 -6.002 2.097) 6.733 3.926 ( 10.672 5.362 -6.144) 13.431 3.967 ( -3.565 2.075 -1.288) 4.321 4.070 ( -1.889 1.739 -4.716) 5.370 4.171 ( -2.779 -5.068 -8.126) 9.972 4.370 ( -2.556 2.616 -7.245) 8.116 4.468 ( 1.127 4.545 2.066) 5.118 4.658 ( 0.753 -1.137 9.182) 9.283 4.718 ( -7.177 0.452 1.613) 7.370 4.816 ( 4.985 0.413 -10.302) 11.453 4.867 ( -7.425 0.117 -2.052) 7.704 5.018 ( -0.678 -0.928 -6.262) 6.367 5.122 ( 1.327 -3.795 -3.597) 5.394 5.212 ( -7.286 -1.923 -0.545) 7.555 5.317 ( -3.986 0.864 0.319) 4.091 5.468 ( 4.743 2.773 2.463) 6.021 5.563 ( 5.975 -0.868 5.666) 8.280 5.580 ( -3.498 -0.174 -4.147) 5.428 5.695 ( 2.094 -0.497 1.986) 2.929 5.775 ( 11.624 1.101 3.140) 12.091 5.972 ( -0.392 -4.904 -1.472) 5.135 6.199 ( 0.988 -4.101 -4.112) 5.891 6.260 ( 2.280 2.777 -0.317) 3.607 6.312 ( -6.803 -4.590 12.129) 14.645 6.381 ( -5.645 -1.915 1.950) 6.272 6.433 ( 0.150 -1.972 -4.852) 5.239 6.611 ( -4.343 2.361 1.357) 5.126 6.694 ( 0.705 -1.843 -6.444) 6.739 6.770 ( 5.423 2.161 0.381) 5.850 6.813 ( 2.954 0.792 -0.466) 3.093 6.962 ( 6.128 -6.848 0.768) 9.222 7.013 ( 4.339 2.332 -1.660) 5.199 7.068 ( 7.321 4.862 1.631) 8.938 7.155 ( -1.482 -7.576 -0.152) 7.721 7.268 ( 0.982 -3.571 2.769) 4.624 7.395 ( 0.936 -1.782 -1.009) 2.252 7.553 ( 4.985 -7.275 5.571) 10.432 7.664 ( -8.624 2.311 -3.198) 9.484 7.789 ( -1.774 -3.188 -0.898) 3.757 7.828 ( 1.106 -2.641 -0.308) 2.880 7.922 ( -2.036 -1.378 -5.750) 6.254 8.025 ( -0.025 0.591 2.297) 2.372 8.058 ( -1.298 -8.162 -5.063) 9.692 8.217 ( -3.991 -1.229 -1.445) 4.419 8.261 ( -1.007 -1.175 8.389) 8.530 8.341 ( -0.023 8.595 0.703) 8.624 8.577 ( -3.107 0.805 -2.026) 3.796 8.629 ( -9.606 -1.289 2.798) 10.088 8.860 ( 2.518 3.348 -3.780) 5.642 8.947 ( -0.912 -2.239 4.585) 5.183 9.039 ( 1.770 1.138 -2.663) 3.394 9.091 ( 7.694 1.536 -2.183) 8.144 9.219 ( 0.391 -1.306 2.977) 3.275 9.379 ( 6.017 0.957 -2.586) 6.619 9.401 ( 0.191 -8.219 -2.868) 8.707 9.510 ( -6.356 -1.095 -3.749) 7.461 9.632 ( -5.527 0.087 1.590) 5.752 9.772 ( -3.209 -4.668 2.421) 6.160 9.903 ( -3.914 0.901 -7.537) 8.540 10.203 ( 4.568 -0.978 3.099) 5.606 10.220 ( -3.815 1.996 -0.543) 4.339 10.301 ( -3.680 2.108 -0.502) 4.271 10.467 ( -3.721 -1.193 7.980) 8.886 10.595 ( -2.024 -0.498 7.027) 7.330 10.748 ( 3.995 1.948 -5.920) 7.402 10.956 ( 8.074 -7.817 -1.995) 11.414 11.212 ( 2.377 4.707 1.411) 5.459 11.490 ( -0.284 -3.824 -2.078) 4.361 11.636 ( -6.970 -1.236 0.190) 7.081 11.914 ( 4.043 -2.416 1.194) 4.859 12.002 ( 0.086 -0.756 2.446) 2.562 12.322 ( -7.048 -0.618 6.066) 9.319 12.621 ( -0.025 1.115 -3.226) 3.413 12.840 ( -7.693 -5.509 -3.639) 10.137 12.998 ( -8.960 -0.694 -13.814) 16.479 13.431 ( 0.821 -0.614 2.514) 2.715 13.504 ( 4.360 -0.776 4.367) 6.219 13.655 ( -3.240 10.540 -0.118) 11.027 14.075 ( -4.635 -1.981 -0.296) 5.050 14.251 ( 3.768 1.860 7.994) 9.031 14.492 ( 2.969 -0.996 -5.555) 6.377 14.523 ( 7.745 -4.272 6.009) 10.693 15.002 ( 12.110 -3.973 0.327) 12.750 16.042 ( 8.167 2.454 0.151) 8.529 16.100 ( -0.441 3.304 1.555) 3.678 16.203 ( 2.503 0.545 -1.749) 3.102 16.414 ( -3.583 -2.792 3.900) 5.987 16.935 ( 0.247 3.123 7.181) 7.835 17.204 ( -9.273 2.520 1.877) 9.791 17.276 ( 17.222 17.624 -5.333) 25.212 17.849 ( -12.683 1.731 9.096) 15.704 18.431 ( 7.876 -2.140 -3.972) 9.077 18.473 ( 4.000 0.685 -1.596) 4.361 18.928 ( -0.526 -5.137 -1.063) 5.272 19.188 ( -4.459 -11.392 -1.927) 12.384 19.756 ( 0.250 0.788 0.782) 1.138 19.860 ( -1.373 4.597 -0.783) 4.861 20.138 ( -2.095 -1.911 1.315) 3.126 20.358 ( -2.386 2.158 -6.805) 7.527 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -11.917 18.381 24.715) 33.026 2.367 ( 0.163 21.856 25.417) 33.522 2.626 ( 8.908 10.337 -7.275) 15.464 2.891 ( -0.259 17.264 -20.809) 27.040 2.999 ( 6.229 15.326 0.579) 16.553 3.169 ( 0.137 -1.073 -9.479) 9.540 3.266 ( 1.949 7.296 10.383) 12.839 3.497 ( -5.810 -0.960 -11.299) 12.741 3.697 ( 3.606 -1.991 1.606) 4.421 3.733 ( -2.577 -1.207 -3.196) 4.279 3.945 ( 3.063 7.026 4.533) 8.905 4.034 ( -2.548 2.666 -0.237) 3.695 4.063 ( 4.067 5.322 3.382) 7.504 4.200 ( -0.191 10.513 -7.449) 12.886 4.502 ( -22.238 4.902 1.511) 22.822 4.522 ( 5.096 7.996 1.605) 9.616 4.625 ( 10.828 5.017 1.358) 12.011 4.721 ( 2.913 2.264 -0.219) 3.696 4.772 ( 0.475 3.751 -1.759) 4.170 4.891 ( -2.417 0.123 -6.865) 7.280 5.036 ( -2.632 2.300 0.957) 3.624 5.065 ( 2.048 3.624 -1.705) 4.498 5.182 ( 11.605 -3.529 6.493) 13.759 5.259 ( -2.671 -3.229 -0.903) 4.287 5.334 ( -6.713 -3.379 -0.506) 7.532 5.416 ( -1.449 -2.806 -6.985) 7.666 5.585 ( -0.394 -3.816 7.576) 8.492 5.766 ( 4.374 -5.703 -8.954) 11.482 5.929 ( 5.116 -1.172 8.955) 10.380 6.001 ( -3.376 1.750 1.561) 4.111 6.134 ( -2.926 -4.385 4.743) 7.092 6.198 ( -1.826 -4.374 3.557) 5.926 6.251 ( -5.099 -7.742 -2.301) 9.552 6.321 ( 3.141 -7.069 -7.793) 10.980 6.442 ( -3.914 -1.342 8.294) 9.268 6.584 ( -0.433 4.773 6.541) 8.109 6.619 ( 4.801 1.133 -6.663) 8.290 6.746 ( -1.140 -8.906 -2.503) 9.321 6.802 ( -0.626 -2.239 3.330) 4.061 6.890 ( -1.725 1.424 -4.343) 4.885 7.063 ( 1.093 1.378 -1.436) 2.271 7.100 ( 5.543 2.030 -1.766) 6.162 7.258 ( -5.799 4.355 1.557) 7.417 7.305 ( 5.188 -3.749 -2.228) 6.777 7.416 ( 0.982 1.988 4.540) 5.053 7.450 ( -0.956 3.566 0.377) 3.711 7.607 ( -1.820 -2.347 -0.946) 3.117 7.644 ( 1.471 -5.409 -0.776) 5.659 7.764 ( -0.142 -5.645 -3.949) 6.890 7.785 ( -2.311 -5.478 -2.142) 6.320 7.921 ( 3.152 -1.300 1.216) 3.620 8.006 ( -1.216 -1.909 -3.696) 4.334 8.044 ( 2.512 -7.561 4.956) 9.383 8.175 ( -8.053 -4.457 -4.688) 10.329 8.452 ( -3.662 2.957 5.965) 7.598 8.573 ( 0.249 1.815 -4.492) 4.851 8.727 ( 5.815 3.842 7.563) 10.285 8.796 ( -3.220 -6.142 1.454) 7.086 8.925 ( -0.899 1.236 -3.438) 3.763 8.956 ( -0.394 0.639 -4.510) 4.572 9.191 ( -3.459 -3.391 1.413) 5.045 9.218 ( 2.013 -4.615 -1.165) 5.168 9.429 ( 0.960 0.727 2.445) 2.725 9.448 ( 3.507 3.950 2.344) 5.779 9.492 ( 0.722 -0.996 6.055) 6.179 9.555 ( 1.151 -6.619 1.067) 6.802 9.613 ( 0.874 1.189 -3.007) 3.349 9.666 ( -4.791 -5.613 -7.708) 10.671 10.232 ( 1.160 1.730 2.556) 3.297 10.267 ( -0.794 1.477 -0.675) 1.807 10.377 ( 6.754 0.279 2.423) 7.181 10.404 ( -5.589 -0.450 0.278) 5.614 10.531 ( -4.182 -3.304 7.804) 9.450 10.711 ( 1.619 -4.127 -9.174) 10.189 10.996 ( 7.419 -4.679 4.565) 9.888 11.116 ( -4.479 -2.266 -6.767) 8.426 11.542 ( -2.746 4.308 3.120) 5.986 11.602 ( 4.878 2.749 -2.468) 6.119 11.945 ( -1.530 -2.107 3.221) 4.142 12.023 ( 5.227 -2.532 -4.136) 7.130 12.364 ( -3.822 3.190 11.360) 12.404 12.592 ( -2.802 3.294 -4.854) 6.501 12.659 ( 0.561 -1.503 -0.258) 1.625 12.816 ( -0.773 0.137 -9.654) 9.686 13.520 ( 2.330 1.388 5.106) 5.781 13.576 ( -1.043 3.120 -0.464) 3.323 13.843 ( 4.691 0.064 3.608) 5.919 13.920 ( -3.912 -0.156 -3.645) 5.349 14.369 ( -4.321 0.624 6.622) 7.932 14.467 ( 5.478 -1.669 -0.137) 5.728 14.615 ( 7.157 -5.357 3.531) 9.612 14.765 ( -9.036 -7.077 -8.948) 14.553 16.117 ( -0.865 1.645 3.361) 3.840 16.203 ( -1.443 2.495 -3.281) 4.367 16.277 ( -7.646 -0.574 1.889) 7.897 16.327 ( 12.719 -1.852 -0.972) 12.890 17.109 ( 2.251 5.767 4.047) 7.396 17.176 ( -2.200 3.794 -1.905) 4.781 17.729 ( -16.535 6.927 6.748) 19.155 17.892 ( 20.598 7.529 -9.114) 23.749 18.439 ( -4.940 -1.934 3.928) 6.601 18.541 ( 5.472 -0.632 -5.537) 7.810 18.754 ( -6.817 -7.804 3.650) 10.986 18.825 ( 3.045 -10.053 -2.974) 10.917 19.860 ( 0.586 4.234 2.539) 4.972 19.909 ( -0.691 4.939 -2.121) 5.419 20.149 ( -1.782 -0.231 6.017) 6.279 20.280 ( 0.411 -0.169 -6.942) 6.956 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -7.084 11.500 20.898) 24.883 2.543 ( 2.404 14.702 -12.609) 19.517 2.699 ( 1.158 24.748 -0.530) 24.780 2.735 ( 5.630 20.093 2.198) 20.983 3.002 ( -0.863 6.418 -3.351) 7.291 3.092 ( 2.624 -6.938 -5.721) 9.368 3.400 ( -3.499 1.366 -7.018) 7.960 3.572 ( 11.623 2.875 9.798) 15.471 3.655 ( 4.537 -2.481 0.694) 5.217 3.780 ( 3.802 2.967 -3.188) 5.781 3.869 ( -16.487 9.055 -5.119) 19.493 4.032 ( 1.244 3.387 -1.454) 3.890 4.142 ( 1.649 10.217 -0.935) 10.392 4.197 ( 3.194 -0.977 -7.368) 8.090 4.283 ( 6.238 13.547 13.526) 20.134 4.563 ( 0.285 2.534 7.183) 7.622 4.712 ( -3.546 4.895 -1.022) 6.131 4.756 ( 3.266 8.430 -4.901) 10.283 4.822 ( -6.037 1.695 -2.446) 6.730 4.918 ( 12.291 3.016 -0.100) 12.656 4.990 ( -5.125 0.490 -0.001) 5.149 5.073 ( 4.933 3.599 -1.673) 6.331 5.162 ( 1.631 -5.182 -5.635) 7.827 5.281 ( 0.200 0.597 5.085) 5.124 5.415 ( 3.450 -4.254 0.242) 5.482 5.465 ( 6.441 -3.553 5.625) 9.260 5.613 ( -1.719 -2.438 -1.460) 3.321 5.749 ( 0.298 -6.263 -8.395) 10.478 5.859 ( -5.571 0.890 -1.034) 5.735 5.974 ( -10.650 0.156 -4.174) 11.440 6.093 ( -0.079 0.422 4.687) 4.706 6.130 ( -3.794 -4.495 9.833) 11.458 6.248 ( -1.145 -4.686 5.818) 7.558 6.321 ( 1.871 -10.805 -6.489) 12.742 6.457 ( -0.940 -0.250 8.778) 8.832 6.537 ( -7.306 2.950 -5.019) 9.342 6.660 ( 2.619 -0.929 -0.475) 2.819 6.742 ( 2.429 -3.719 4.250) 6.148 6.795 ( -2.990 -6.869 -0.371) 7.501 6.912 ( 0.229 -0.707 3.009) 3.100 6.938 ( -4.781 -1.551 -5.788) 7.666 7.102 ( 0.261 2.300 -6.214) 6.632 7.147 ( -9.306 -0.711 -0.133) 9.334 7.333 ( -0.383 5.314 -3.664) 6.466 7.435 ( -1.509 1.719 0.560) 2.355 7.470 ( 3.935 0.088 1.102) 4.088 7.632 ( 0.936 -6.679 -1.565) 6.923 7.683 ( 3.127 -3.774 4.655) 6.759 7.694 ( 0.861 -2.158 1.306) 2.665 7.841 ( -0.189 0.346 1.059) 1.130 7.905 ( 2.045 -7.237 -0.893) 7.574 7.959 ( -0.559 -3.146 -0.712) 3.273 8.068 ( -0.549 -2.827 1.277) 3.150 8.249 ( 7.066 -6.218 5.510) 10.906 8.444 ( -3.459 -0.486 8.575) 9.259 8.534 ( -1.298 3.887 -2.343) 4.721 8.728 ( -2.256 -3.070 -4.623) 5.990 8.836 ( 1.015 -2.564 0.651) 2.833 8.896 ( -0.378 4.056 3.272) 5.225 8.980 ( 2.915 1.532 1.286) 3.535 9.143 ( -1.643 -3.940 0.368) 4.285 9.222 ( -0.373 -5.237 0.069) 5.250 9.341 ( -7.030 3.134 -3.566) 8.482 9.386 ( -9.361 3.994 -0.949) 10.221 9.520 ( 1.659 -5.902 -2.301) 6.548 9.589 ( 5.055 -2.268 -2.354) 6.020 9.679 ( 4.881 -5.524 2.928) 7.932 9.755 ( 9.695 -0.547 1.849) 9.884 10.197 ( -0.828 0.169 0.043) 0.846 10.290 ( -2.886 2.771 -0.648) 4.053 10.355 ( 4.353 2.236 -0.014) 4.894 10.532 ( 6.340 -0.419 -0.071) 6.355 10.573 ( -0.025 -2.165 9.599) 9.840 10.665 ( 0.298 -4.558 -6.035) 7.569 10.941 ( -3.009 -3.219 -7.486) 8.686 11.248 ( 11.766 -3.540 1.633) 12.395 11.456 ( -8.005 5.695 0.364) 9.831 11.651 ( 3.777 0.420 -4.033) 5.542 11.895 ( -5.482 -1.396 -0.765) 5.708 12.046 ( 3.066 -3.962 -5.624) 7.532 12.361 ( -3.452 2.013 8.119) 9.049 12.561 ( -3.058 2.755 6.269) 7.499 12.692 ( 3.927 -2.956 -4.045) 6.366 12.843 ( 7.542 0.293 1.101) 7.628 13.488 ( -2.645 1.631 -1.486) 3.444 13.607 ( -1.842 1.357 -2.243) 3.204 13.798 ( 0.967 1.352 0.487) 1.732 14.014 ( 5.323 -2.932 0.599) 6.107 14.342 ( -4.320 2.259 2.435) 5.450 14.448 ( -7.713 -3.247 -6.043) 10.322 14.532 ( -2.056 -2.168 -2.618) 3.973 14.773 ( 1.735 -7.105 6.662) 9.893 16.100 ( -7.287 4.218 1.314) 8.522 16.154 ( -0.936 1.154 4.388) 4.633 16.199 ( 1.407 0.899 -4.067) 4.396 16.502 ( 9.327 -2.039 -6.362) 11.473 17.131 ( 0.030 5.191 -3.056) 6.024 17.205 ( 4.377 2.703 3.891) 6.450 17.468 ( -16.011 10.909 4.354) 19.857 18.098 ( 5.691 -1.180 -9.403) 11.054 18.298 ( -6.571 -0.113 3.079) 7.258 18.537 ( 0.186 1.309 -4.717) 4.899 18.746 ( 1.327 -5.271 4.445) 7.022 18.927 ( 5.948 -10.863 0.780) 12.409 19.809 ( -3.447 3.057 0.118) 4.608 19.950 ( 1.028 4.593 0.006) 4.706 20.119 ( -1.549 -0.132 2.500) 2.944 20.309 ( 3.564 0.500 -0.474) 3.630 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.044 8.606 -4.710) 9.811 2.529 ( 4.574 11.664 5.671) 13.752 2.702 ( 7.320 21.855 -8.506) 24.568 2.866 ( -11.431 13.177 -9.764) 19.991 3.013 ( 2.796 -0.129 10.376) 10.747 3.126 ( 8.358 3.963 10.459) 13.962 3.311 ( -21.309 10.403 4.837) 24.201 3.512 ( 11.109 9.192 -1.573) 14.504 3.632 ( -2.330 1.213 -6.561) 7.067 3.737 ( 3.663 2.583 -6.217) 7.665 4.005 ( 1.129 7.738 -0.723) 7.853 4.041 ( 2.570 3.521 -1.921) 4.763 4.138 ( 5.491 0.110 5.222) 7.579 4.316 ( 14.044 0.373 -10.886) 17.772 4.413 ( -1.074 -0.441 1.556) 1.942 4.603 ( -10.952 5.081 -1.766) 12.202 4.705 ( 1.626 -4.291 4.922) 6.729 4.740 ( -0.323 5.051 -5.455) 7.441 4.802 ( 11.401 10.869 -1.351) 15.809 4.847 ( -4.682 2.247 -1.161) 5.322 5.009 ( 1.874 2.846 3.406) 4.818 5.137 ( -0.735 1.519 0.594) 1.789 5.280 ( 5.662 -1.346 0.487) 5.840 5.314 ( -0.722 -4.208 -4.980) 6.560 5.405 ( -12.192 4.446 0.002) 12.978 5.467 ( 1.095 0.693 6.732) 6.855 5.563 ( -4.351 9.236 5.103) 11.414 5.597 ( -1.557 -7.349 -8.768) 11.546 5.809 ( -3.043 -0.284 0.960) 3.204 5.916 ( 8.264 2.292 -0.614) 8.598 6.105 ( -3.666 -1.251 5.962) 7.110 6.225 ( 4.247 -4.458 4.258) 7.486 6.234 ( -3.555 -6.740 -5.707) 9.520 6.318 ( 1.066 -2.749 6.914) 7.517 6.410 ( 1.062 -5.738 0.167) 5.838 6.555 ( -1.066 -4.706 6.000) 7.700 6.660 ( -6.999 -2.924 2.355) 7.942 6.710 ( -1.298 -2.182 3.212) 4.094 6.768 ( -3.779 -3.546 2.515) 5.760 6.786 ( -0.206 -2.377 -7.202) 7.587 6.934 ( -8.875 6.261 -2.012) 11.046 7.031 ( 5.985 -11.272 -5.995) 14.101 7.053 ( 2.341 0.132 -4.199) 4.809 7.241 ( -6.719 0.294 -2.167) 7.066 7.395 ( 0.889 2.699 -1.870) 3.402 7.503 ( -1.397 -1.229 -4.621) 4.981 7.687 ( 3.113 -3.563 0.642) 4.774 7.716 ( -0.642 -3.697 5.809) 6.916 7.812 ( -0.447 -4.197 4.954) 6.508 7.867 ( 3.117 -3.186 2.979) 5.361 7.929 ( 5.567 -0.821 0.990) 5.713 8.011 ( -0.711 0.903 3.017) 3.228 8.141 ( 5.985 -5.652 7.311) 11.010 8.308 ( 0.332 0.259 -2.400) 2.437 8.447 ( -5.763 2.503 4.500) 7.728 8.532 ( 1.342 0.083 0.887) 1.610 8.697 ( -0.712 -6.415 2.582) 6.951 8.825 ( -1.282 -5.235 1.345) 5.555 8.917 ( -0.325 5.614 3.063) 6.403 9.030 ( 0.618 -0.734 1.132) 1.484 9.124 ( -1.863 1.888 -3.581) 4.456 9.158 ( -3.764 -5.236 -2.270) 6.836 9.188 ( -5.063 -1.070 -1.990) 5.544 9.273 ( 0.458 0.955 -4.509) 4.632 9.554 ( 3.665 -7.837 0.704) 8.680 9.656 ( 3.641 -1.646 -1.875) 4.414 9.779 ( 2.324 -1.657 4.634) 5.442 9.927 ( 6.657 -3.312 0.638) 7.463 10.225 ( 2.076 3.064 0.251) 3.709 10.268 ( 0.493 2.080 2.849) 3.562 10.433 ( 3.647 2.239 -0.803) 4.354 10.581 ( -0.763 -0.847 -1.149) 1.619 10.611 ( 0.149 -3.815 -4.922) 6.230 10.647 ( -0.153 -4.370 1.140) 4.519 10.853 ( 0.667 5.122 -3.143) 6.047 11.267 ( -8.924 6.332 -4.820) 11.957 11.456 ( 8.030 -3.814 2.379) 9.203 11.688 ( 2.881 -3.586 -2.989) 5.486 11.796 ( -1.858 0.376 -0.810) 2.061 12.038 ( 1.140 -6.281 -6.190) 8.892 12.415 ( 0.030 1.585 8.534) 8.680 12.572 ( -2.140 2.257 5.730) 6.520 12.744 ( 4.557 -5.830 0.983) 7.465 12.985 ( 3.648 -4.068 2.540) 6.026 13.447 ( 0.001 -0.219 -2.558) 2.568 13.506 ( -1.941 2.467 -4.943) 5.856 13.841 ( -1.792 -8.017 1.072) 8.285 14.082 ( -12.416 -6.698 -10.041) 17.316 14.125 ( 9.203 6.951 2.189) 11.740 14.426 ( 0.888 2.173 3.926) 4.574 14.519 ( 0.126 -0.210 -1.576) 1.595 14.745 ( -9.051 -0.831 1.808) 9.267 16.011 ( -1.880 4.381 1.168) 4.908 16.171 ( -1.968 2.417 1.700) 3.550 16.226 ( 3.708 2.142 0.514) 4.313 16.536 ( 2.532 -0.731 -9.620) 9.975 17.132 ( 2.773 7.182 -2.371) 8.055 17.247 ( -8.178 8.251 1.943) 11.779 17.365 ( 5.975 2.155 5.289) 8.265 17.902 ( -14.194 -4.276 -1.641) 14.915 18.352 ( 6.453 1.640 -3.732) 7.633 18.489 ( -1.008 2.221 -4.037) 4.716 18.836 ( 4.054 -5.649 3.607) 7.833 18.996 ( -0.128 -9.320 1.961) 9.525 19.780 ( 0.436 1.317 0.137) 1.394 19.905 ( -4.386 1.149 0.254) 4.541 20.193 ( 6.039 1.448 1.139) 6.314 20.342 ( -0.848 0.609 1.332) 1.692 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.359 14.458 0.235) 14.465 2.379 ( -7.262 10.804 -1.852) 13.149 2.699 ( -15.185 9.908 5.122) 18.841 2.843 ( 11.828 16.527 -2.783) 20.513 2.948 ( -2.818 2.357 7.110) 8.003 3.192 ( 6.529 12.244 -8.734) 16.396 3.416 ( 7.793 -1.405 7.494) 10.903 3.548 ( -0.445 3.648 2.883) 4.671 3.673 ( -0.478 2.595 -6.035) 6.587 3.777 ( 2.197 6.322 -7.478) 10.035 3.897 ( -4.841 11.390 9.449) 15.571 4.128 ( 3.573 1.248 2.186) 4.370 4.166 ( -6.622 -0.338 -1.516) 6.802 4.244 ( 2.256 1.077 -14.178) 14.397 4.453 ( -3.130 12.451 4.878) 13.734 4.550 ( -8.579 3.713 3.316) 9.918 4.604 ( 1.532 5.796 -6.406) 8.773 4.706 ( 9.443 3.308 -7.460) 12.481 4.856 ( 0.555 -2.246 4.278) 4.863 4.956 ( -0.593 1.975 4.014) 4.512 5.004 ( -9.172 -5.763 1.585) 10.948 5.174 ( 9.750 2.154 -6.497) 11.912 5.206 ( -0.468 0.392 2.300) 2.380 5.248 ( 2.115 0.947 -0.899) 2.486 5.434 ( 2.962 -2.148 -0.482) 3.690 5.464 ( -3.701 -1.893 -0.145) 4.159 5.506 ( -0.389 1.650 0.412) 1.745 5.548 ( -2.059 2.170 -3.622) 4.697 5.895 ( 5.295 10.803 8.274) 14.601 6.018 ( -5.659 1.369 2.206) 6.227 6.078 ( 3.498 -8.992 -0.702) 9.674 6.124 ( -1.057 -4.065 -6.769) 7.966 6.345 ( 1.199 -4.782 5.014) 7.031 6.402 ( -1.812 -7.954 6.245) 10.274 6.462 ( 6.457 -5.324 -1.533) 8.508 6.499 ( -5.546 -5.009 0.086) 7.474 6.594 ( -0.774 -0.414 4.417) 4.503 6.666 ( -0.527 -0.293 -2.529) 2.600 6.740 ( -2.335 -0.352 6.884) 7.278 6.820 ( 0.714 -2.901 5.207) 6.003 6.884 ( 1.026 0.295 -2.477) 2.697 7.041 ( 3.639 0.211 -9.173) 9.871 7.070 ( 2.516 1.149 -3.270) 4.283 7.113 ( -2.246 -6.576 -5.347) 8.768 7.379 ( -1.167 -1.440 0.696) 1.980 7.415 ( -1.627 2.227 -3.845) 4.731 7.720 ( -0.716 -3.395 1.652) 3.843 7.750 ( 0.069 -5.322 0.593) 5.356 7.810 ( -2.978 -4.771 7.952) 9.740 7.946 ( 3.752 -2.134 -0.766) 4.383 8.024 ( 1.072 -1.664 1.999) 2.813 8.043 ( 0.418 -0.308 -0.210) 0.560 8.282 ( 1.883 0.164 4.012) 4.435 8.303 ( -3.254 3.376 3.187) 5.669 8.421 ( 2.243 -5.199 3.228) 6.518 8.535 ( 2.606 -0.627 -5.406) 6.034 8.662 ( -6.957 -2.786 7.672) 10.725 8.821 ( 3.262 -5.556 -5.188) 8.271 8.985 ( -1.869 -0.978 8.309) 8.572 9.003 ( -1.040 2.667 1.966) 3.473 9.072 ( -0.851 -4.450 -3.169) 5.529 9.100 ( -2.302 0.612 2.444) 3.413 9.140 ( 1.979 0.605 -3.509) 4.074 9.244 ( 1.862 0.934 -7.174) 7.470 9.638 ( 2.710 -7.277 0.764) 7.803 9.667 ( -0.616 -3.937 -2.273) 4.588 9.849 ( -1.424 -4.094 8.066) 9.157 9.986 ( 2.167 -3.559 -4.315) 5.999 10.259 ( 0.242 5.077 3.537) 6.192 10.320 ( 0.135 0.176 1.286) 1.305 10.453 ( -0.493 1.083 -2.091) 2.406 10.487 ( -4.237 -1.807 -2.112) 5.068 10.556 ( -4.009 -0.202 2.131) 4.545 10.639 ( 3.947 -1.964 -6.618) 7.953 10.948 ( 6.274 5.229 4.472) 9.312 11.077 ( -4.274 6.370 -7.574) 10.780 11.580 ( 0.376 -3.168 2.970) 4.358 11.662 ( 2.255 -1.962 -4.913) 5.751 11.852 ( 3.423 -2.098 2.609) 4.789 11.950 ( -3.771 -6.572 -6.732) 10.136 12.465 ( -5.243 2.356 10.150) 11.665 12.585 ( 1.919 2.088 0.256) 2.847 12.876 ( 3.257 -7.971 5.367) 10.147 13.000 ( 1.680 -8.839 -4.214) 9.935 13.427 ( -0.472 0.985 -0.414) 1.168 13.470 ( -0.331 0.843 -3.849) 3.954 13.791 ( -1.647 -9.216 1.759) 9.526 13.852 ( -3.564 -6.860 -4.464) 8.927 14.371 ( 8.465 8.873 2.734) 12.565 14.419 ( -4.498 3.885 -1.948) 6.255 14.506 ( -0.482 2.620 3.284) 4.229 14.575 ( -1.866 1.563 -3.347) 4.138 16.044 ( 0.519 4.279 4.102) 5.950 16.124 ( -0.950 2.350 -2.713) 3.713 16.312 ( 2.721 1.286 3.953) 4.969 16.448 ( -2.267 0.594 -8.848) 9.153 17.114 ( -6.354 9.926 4.447) 12.597 17.217 ( 7.231 8.139 -5.445) 12.173 17.556 ( 5.915 -2.643 6.974) 9.519 17.648 ( -9.213 -2.166 -2.069) 9.688 18.413 ( 2.590 1.496 -2.221) 3.726 18.432 ( -0.380 2.271 -4.021) 4.633 18.943 ( 4.210 -7.120 2.607) 8.673 18.963 ( -4.122 -7.426 0.604) 8.514 19.823 ( 2.130 0.466 0.629) 2.270 19.828 ( -2.643 0.134 0.136) 2.650 20.293 ( -2.984 1.040 1.531) 3.511 20.319 ( 4.271 0.504 -0.864) 4.387 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -12.477 21.484 7.825) 26.048 2.406 ( -21.165 17.025 17.165) 32.132 2.688 ( 14.895 8.583 7.180) 18.630 2.844 ( -2.485 2.911 -16.565) 17.002 3.064 ( 4.182 5.152 4.285) 7.899 3.273 ( 6.302 12.463 -2.634) 14.212 3.403 ( -8.293 6.064 -5.189) 11.509 3.513 ( -5.979 12.881 -5.000) 15.055 3.625 ( 1.281 6.543 -4.560) 8.077 3.694 ( 3.260 5.308 2.529) 6.723 3.949 ( 3.353 0.031 7.757) 8.451 4.031 ( -2.343 5.827 -2.316) 6.694 4.182 ( -8.984 3.744 -3.529) 10.353 4.279 ( 5.326 1.759 -1.867) 5.911 4.394 ( 2.145 -0.449 -1.984) 2.956 4.544 ( 1.399 6.756 9.900) 12.067 4.589 ( 0.859 4.992 0.543) 5.094 4.740 ( -10.778 3.335 2.947) 11.661 4.846 ( -6.164 -1.955 -3.592) 7.397 4.855 ( 8.441 -1.518 -3.124) 9.128 5.086 ( 5.575 -6.549 4.759) 9.830 5.136 ( -0.042 -6.038 -3.861) 7.167 5.230 ( -4.002 3.863 -1.531) 5.769 5.309 ( -6.402 -3.044 -0.090) 7.089 5.380 ( 3.344 0.365 -1.113) 3.544 5.501 ( 4.403 1.470 -0.355) 4.656 5.576 ( 5.326 5.670 -2.048) 8.044 5.625 ( 10.312 -2.658 2.370) 10.910 5.838 ( -10.196 -1.637 0.208) 10.329 5.939 ( -2.202 7.483 -4.359) 8.935 6.099 ( 1.338 -2.782 3.384) 4.581 6.150 ( 1.533 -3.966 1.765) 4.604 6.296 ( -6.977 -0.902 2.161) 7.359 6.381 ( 0.760 -8.881 -1.321) 9.010 6.503 ( 2.335 -4.075 -3.655) 5.951 6.591 ( -3.092 -2.126 0.513) 3.787 6.608 ( 6.003 -3.119 2.014) 7.058 6.726 ( 1.837 -2.863 1.646) 3.779 6.745 ( 1.952 0.996 1.214) 2.505 6.843 ( 1.409 -0.448 3.066) 3.404 6.889 ( 1.066 4.398 -2.804) 5.324 6.926 ( -0.236 -7.847 -2.104) 8.128 7.069 ( 3.081 -3.628 -5.522) 7.290 7.249 ( 10.474 0.320 -0.220) 10.481 7.365 ( -3.585 3.498 2.823) 5.750 7.395 ( 0.535 -2.545 1.919) 3.232 7.707 ( 0.082 -9.927 -0.395) 9.936 7.751 ( -1.402 -1.590 1.850) 2.813 7.815 ( -1.498 -1.705 -0.293) 2.288 7.945 ( -2.445 -0.618 -1.748) 3.069 8.001 ( -1.738 -5.262 -3.435) 6.520 8.054 ( -0.877 -0.116 -0.382) 0.964 8.212 ( -5.558 1.095 0.978) 5.748 8.301 ( -3.088 2.161 2.054) 4.292 8.446 ( 0.510 -0.951 0.019) 1.079 8.577 ( 3.244 -0.545 -4.112) 5.266 8.693 ( 2.098 -4.562 8.142) 9.566 8.840 ( -0.182 -3.222 -2.822) 4.287 8.954 ( -1.556 4.080 2.066) 4.830 9.000 ( -2.970 -2.863 2.411) 4.778 9.052 ( 1.934 -0.476 -1.728) 2.637 9.149 ( 3.079 -1.373 3.557) 4.900 9.168 ( 2.309 -0.327 0.392) 2.365 9.256 ( 6.038 -1.202 -4.497) 7.624 9.587 ( -4.457 -7.023 -2.757) 8.763 9.635 ( -3.410 -4.779 -0.233) 5.876 9.822 ( -6.313 -1.765 2.501) 7.016 9.968 ( -0.771 -7.544 -3.660) 8.420 10.236 ( -4.926 2.894 -0.970) 5.795 10.296 ( -1.580 0.918 3.154) 3.645 10.405 ( -2.098 0.991 -0.331) 2.344 10.481 ( -5.173 0.811 3.391) 6.238 10.523 ( 1.551 -0.606 4.454) 4.755 10.679 ( 5.485 -3.868 -3.054) 7.374 10.920 ( -2.681 6.074 -6.375) 9.205 11.181 ( 11.201 6.805 2.525) 13.347 11.494 ( -7.166 -4.243 -1.055) 8.395 11.694 ( -1.471 -2.766 -3.269) 4.527 11.814 ( 1.451 -1.887 -2.352) 3.346 11.940 ( 0.362 -3.215 2.612) 4.158 12.416 ( -7.178 2.460 6.424) 9.942 12.635 ( 1.075 1.308 1.763) 2.444 12.831 ( -2.515 -5.957 -6.110) 8.896 13.072 ( 4.143 -8.273 -4.557) 10.314 13.405 ( -2.358 0.467 0.645) 2.488 13.423 ( -0.233 2.124 2.144) 3.027 13.836 ( 1.383 -7.006 1.768) 7.357 13.912 ( 9.497 -7.154 5.587) 13.137 14.165 ( -11.121 7.679 -1.885) 13.645 14.454 ( -3.488 -2.846 1.422) 4.721 14.529 ( 3.785 4.203 -3.365) 6.581 14.760 ( 14.291 4.365 0.963) 14.974 16.020 ( -1.626 2.728 0.471) 3.211 16.155 ( 1.804 2.603 0.570) 3.218 16.323 ( -3.109 2.699 -5.828) 7.136 16.376 ( -0.672 -0.388 5.044) 5.103 17.057 ( -3.584 8.983 3.535) 10.297 17.310 ( 3.573 5.144 -2.038) 6.586 17.458 ( -0.445 5.806 -4.854) 7.581 17.788 ( 6.362 -3.516 8.434) 11.135 18.369 ( -0.214 1.312 -4.483) 4.675 18.458 ( 2.421 1.881 -0.873) 3.187 18.881 ( -4.313 -6.315 -0.869) 7.697 19.008 ( 0.071 -9.435 1.021) 9.491 19.776 ( -1.390 1.053 0.466) 1.805 19.901 ( 3.983 0.926 0.605) 4.134 20.200 ( -6.089 1.405 0.416) 6.263 20.389 ( 3.068 -0.760 -2.660) 4.131 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 1.259 23.127 21.057) 31.302 2.271 ( -15.099 18.576 26.276) 35.545 2.599 ( -4.450 8.282 -6.888) 11.655 2.972 ( 6.047 13.924 -4.951) 15.968 3.104 ( -0.511 4.139 -12.572) 13.245 3.162 ( -4.647 14.514 -4.095) 15.781 3.204 ( -0.667 9.802 3.307) 10.367 3.591 ( 3.823 -0.225 4.882) 6.205 3.676 ( 1.478 6.417 -1.252) 6.703 3.755 ( 1.807 11.730 1.219) 11.931 3.954 ( -4.599 -5.466 -7.561) 10.402 4.033 ( 3.046 4.242 -1.964) 5.580 4.063 ( -0.890 -4.468 1.751) 4.881 4.202 ( 0.974 10.392 -8.833) 13.674 4.469 ( 3.483 -1.227 -2.799) 4.634 4.529 ( -5.670 10.543 7.025) 13.880 4.639 ( -4.656 0.143 4.685) 6.606 4.725 ( 3.045 0.633 -0.243) 3.120 4.821 ( 10.136 0.722 2.498) 10.464 4.951 ( -4.077 4.151 -2.657) 6.396 5.020 ( -1.909 -1.238 -4.108) 4.696 5.069 ( -3.178 3.758 -2.328) 5.444 5.136 ( -8.238 -3.439 -3.198) 9.482 5.267 ( -0.334 -5.436 4.958) 7.365 5.397 ( 0.755 -6.775 10.965) 12.911 5.527 ( -9.690 -4.290 -2.020) 10.788 5.625 ( 1.285 0.631 -9.241) 9.352 5.726 ( 5.849 2.361 -1.500) 6.483 5.780 ( 3.390 0.647 2.910) 4.514 5.943 ( 5.084 2.187 -0.980) 5.621 6.154 ( 0.052 0.337 -1.219) 1.266 6.158 ( -1.533 -8.409 8.116) 11.788 6.285 ( 4.222 0.880 -2.338) 4.906 6.377 ( -2.409 0.548 3.220) 4.058 6.403 ( -3.928 -4.807 -2.775) 6.800 6.564 ( 0.554 -3.279 -0.788) 3.417 6.685 ( 1.180 -1.531 -0.258) 1.951 6.718 ( -0.484 -2.828 -1.311) 3.154 6.811 ( -5.373 -6.441 1.961) 8.614 6.900 ( 11.089 -0.611 -0.584) 11.121 6.949 ( 2.946 -1.449 -3.942) 5.130 7.023 ( 7.260 -3.030 5.661) 9.692 7.169 ( 10.611 1.224 -3.130) 11.131 7.274 ( -2.274 4.502 2.555) 5.654 7.374 ( -0.432 -0.184 0.256) 0.535 7.461 ( 2.067 -0.951 3.966) 4.572 7.667 ( -3.687 -9.796 -3.864) 11.158 7.725 ( -4.484 0.512 -0.798) 4.583 7.761 ( 0.583 -4.279 -1.655) 4.625 7.855 ( -2.274 -2.538 -5.863) 6.781 7.919 ( -2.086 -2.730 -1.744) 3.852 7.992 ( -4.277 -2.800 -0.060) 5.113 8.150 ( -2.417 -0.738 -3.265) 4.129 8.275 ( -1.858 -0.230 1.698) 2.528 8.491 ( 0.385 4.469 4.056) 6.048 8.586 ( 1.467 -0.372 -3.198) 3.539 8.634 ( -6.663 1.525 0.552) 6.858 8.831 ( -1.138 -4.235 2.645) 5.121 8.960 ( -1.890 -6.831 -1.379) 7.221 8.993 ( 2.071 3.635 -1.938) 4.611 9.156 ( 6.126 3.155 1.334) 7.018 9.210 ( 1.094 -0.816 0.483) 1.448 9.234 ( 6.484 -5.167 2.706) 8.722 9.371 ( 7.231 -1.646 0.655) 7.445 9.509 ( -2.094 -1.604 -0.380) 2.665 9.543 ( -5.562 -6.630 1.331) 8.756 9.714 ( -6.289 -1.314 -0.204) 6.428 9.853 ( -6.539 -5.312 -6.406) 10.584 10.180 ( -0.614 -0.220 1.536) 1.669 10.280 ( -0.351 3.284 0.697) 3.376 10.345 ( -3.849 2.051 0.756) 4.426 10.451 ( -3.603 -0.057 6.361) 7.311 10.563 ( -2.604 -2.787 3.965) 5.502 10.767 ( 4.182 -8.058 -6.275) 11.035 10.843 ( 2.196 5.115 -1.101) 5.674 11.286 ( -6.418 1.125 -1.747) 6.746 11.446 ( 7.129 0.898 1.801) 7.407 11.607 ( -3.147 -0.111 -0.626) 3.210 11.904 ( 6.625 -0.122 -0.913) 6.688 11.951 ( -0.230 -3.688 2.494) 4.458 12.353 ( -5.114 3.434 6.387) 8.873 12.638 ( -1.949 -0.814 2.317) 3.136 12.740 ( -0.704 -0.937 -10.066) 10.134 12.976 ( -5.061 -1.739 -9.848) 11.208 13.424 ( 1.536 -0.436 4.422) 4.701 13.520 ( 5.500 2.418 5.200) 7.945 13.804 ( -3.942 1.482 0.010) 4.211 14.029 ( -4.131 -1.577 -0.731) 4.482 14.206 ( 12.466 -5.134 9.579) 16.538 14.415 ( -2.844 -4.418 3.000) 6.050 14.547 ( 2.844 4.411 -4.368) 6.827 14.909 ( 2.659 -4.160 -6.321) 8.021 16.087 ( 6.463 1.461 2.330) 7.024 16.149 ( -0.430 1.213 1.189) 1.752 16.254 ( -0.473 3.855 -4.075) 5.629 16.369 ( -5.388 -1.194 5.187) 7.574 17.054 ( -0.202 7.648 3.618) 8.463 17.248 ( -4.861 1.912 -0.137) 5.225 17.602 ( 18.318 12.073 -8.385) 23.486 17.884 ( -7.186 1.173 10.526) 12.799 18.382 ( 6.585 -2.037 -3.857) 7.899 18.494 ( 2.292 1.349 -0.644) 2.736 18.806 ( -2.366 -6.055 -1.523) 6.677 18.941 ( -7.487 -11.358 -0.468) 13.611 19.795 ( 2.420 2.760 1.262) 3.881 19.955 ( 0.245 3.942 -0.189) 3.954 20.119 ( -2.159 0.072 1.818) 2.824 20.368 ( -1.382 -1.035 -5.288) 5.563 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -12.070 10.305 22.298) 27.369 2.719 ( 4.941 0.705 4.154) 6.493 2.815 ( 5.112 18.727 16.537) 25.501 3.120 ( 0.428 3.272 -7.605) 8.290 3.195 ( 4.756 5.649 -8.310) 11.116 3.307 ( -0.688 10.260 -12.112) 15.888 3.377 ( -0.373 2.401 -3.241) 4.051 3.458 ( -5.316 -2.374 -6.260) 8.549 3.651 ( -1.732 -1.074 -3.145) 3.747 3.681 ( -0.610 -0.668 -5.783) 5.854 3.992 ( 2.029 0.518 2.797) 3.494 4.061 ( 2.895 0.006 -3.283) 4.377 4.332 ( 4.667 12.406 7.229) 15.098 4.399 ( 0.539 5.354 0.745) 5.433 4.494 ( -7.777 -4.092 3.180) 9.346 4.600 ( 1.484 -1.771 -6.587) 6.980 4.754 ( 1.968 6.748 4.538) 8.367 4.831 ( 7.044 7.481 3.131) 10.741 4.836 ( -3.282 -0.380 -3.428) 4.761 4.941 ( -1.428 2.108 -3.011) 3.943 5.113 ( 0.926 -0.330 2.624) 2.801 5.169 ( 3.714 8.815 3.071) 10.046 5.199 ( -2.520 0.953 1.071) 2.899 5.225 ( 3.581 0.443 7.217) 8.069 5.275 ( -1.587 5.079 -2.330) 5.809 5.397 ( 0.698 4.796 -5.316) 7.194 5.528 ( -4.251 -3.052 6.509) 8.352 5.688 ( 4.085 0.194 -8.566) 9.492 5.889 ( -5.457 -6.228 4.792) 9.567 5.930 ( 1.832 -1.978 1.432) 3.053 6.024 ( -0.591 -11.861 0.059) 11.876 6.053 ( -1.016 -7.139 -0.178) 7.213 6.176 ( -2.436 3.610 -3.190) 5.398 6.215 ( -0.869 -2.494 -4.713) 5.402 6.376 ( -3.420 -4.700 8.036) 9.918 6.508 ( -0.799 -7.666 -1.937) 7.947 6.629 ( 0.189 -0.235 -1.126) 1.166 6.662 ( -0.997 -0.270 -1.444) 1.775 6.843 ( 0.866 5.877 5.208) 7.900 6.948 ( 0.537 2.097 -6.088) 6.461 7.047 ( 3.920 0.255 5.789) 6.996 7.141 ( -1.015 -0.681 -3.047) 3.283 7.298 ( 6.476 3.001 5.867) 9.240 7.362 ( -0.600 -7.352 2.127) 7.677 7.402 ( -1.245 1.085 3.375) 3.758 7.486 ( -0.618 -0.900 3.739) 3.895 7.536 ( 1.150 2.660 -2.888) 4.091 7.558 ( 0.537 -1.999 -1.235) 2.411 7.729 ( -5.736 2.728 -2.942) 7.000 7.754 ( 7.016 -1.948 -1.448) 7.424 7.873 ( 0.383 -3.888 -2.182) 4.475 7.949 ( -3.239 -2.937 -5.326) 6.891 7.976 ( -0.051 4.209 2.701) 5.002 8.094 ( -7.902 -1.854 -6.981) 10.706 8.496 ( -0.669 -5.808 4.569) 7.420 8.548 ( -4.341 -1.009 3.936) 5.946 8.592 ( -1.480 -11.053 -3.931) 11.824 8.675 ( 5.092 -2.488 -6.953) 8.970 9.003 ( 2.070 1.753 1.516) 3.108 9.008 ( -0.444 1.470 0.788) 1.726 9.085 ( -1.122 -5.360 0.832) 5.539 9.145 ( -2.591 1.697 -3.730) 4.848 9.340 ( 1.791 -6.578 5.101) 8.514 9.392 ( -0.108 -4.593 0.498) 4.622 9.499 ( 6.746 1.428 1.856) 7.140 9.515 ( -3.375 -0.588 0.386) 3.448 9.627 ( 2.385 2.744 0.509) 3.671 9.679 ( -1.551 0.652 -3.422) 3.814 10.260 ( 1.777 1.410 3.111) 3.850 10.290 ( -1.965 0.806 0.864) 2.292 10.389 ( -0.582 0.392 1.057) 1.269 10.420 ( 0.454 0.377 -1.224) 1.359 10.474 ( -2.031 -0.449 5.514) 5.893 10.596 ( 1.930 -5.605 -5.420) 8.033 10.963 ( 2.674 0.670 2.140) 3.490 11.061 ( -3.777 -3.009 -6.377) 7.999 11.641 ( -1.031 4.468 2.164) 5.070 11.678 ( 4.216 3.790 -0.910) 5.741 11.891 ( -0.975 -2.364 1.703) 3.072 11.955 ( 4.822 -3.751 -4.375) 7.514 12.453 ( -4.868 5.113 10.967) 13.043 12.624 ( -3.756 -1.332 9.064) 9.901 12.685 ( 1.954 4.150 -11.443) 12.328 12.819 ( 0.191 -0.540 -9.910) 9.927 13.544 ( 2.962 1.631 5.963) 6.855 13.619 ( -2.428 1.163 -1.355) 3.014 13.801 ( 2.866 -3.266 3.682) 5.696 13.873 ( -2.092 -4.192 -3.053) 5.592 14.379 ( 0.715 0.382 7.281) 7.326 14.403 ( 7.820 -2.335 8.127) 11.517 14.589 ( -0.340 0.989 -6.034) 6.123 14.661 ( -8.046 -3.105 -10.301) 13.434 16.151 ( 0.147 2.077 4.035) 4.541 16.237 ( 0.801 0.472 -2.827) 2.975 16.279 ( -4.934 -0.035 1.548) 5.171 16.289 ( 4.900 -1.528 -0.350) 5.145 17.237 ( 1.497 5.441 0.957) 5.724 17.255 ( -1.011 3.592 -0.626) 3.784 17.861 ( -10.025 5.647 6.166) 13.054 17.987 ( 11.890 1.651 -5.763) 13.316 18.394 ( -4.774 -1.794 3.351) 6.102 18.496 ( 4.671 -4.103 -5.776) 8.486 18.644 ( -2.834 -2.915 0.702) 4.126 18.660 ( 1.361 -4.604 -0.694) 4.851 19.951 ( 0.116 4.298 3.323) 5.434 20.013 ( 0.056 4.326 -2.243) 4.873 20.132 ( -1.523 -0.953 4.617) 4.954 20.244 ( 0.886 -3.081 -5.866) 6.685 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -10.033 9.694 12.433) 18.687 2.777 ( -1.504 4.691 2.684) 5.610 2.903 ( -6.063 -0.579 -2.256) 6.495 3.051 ( 6.922 8.110 -8.754) 13.795 3.175 ( 2.846 13.283 -2.005) 13.732 3.235 ( 0.448 13.929 2.528) 14.164 3.374 ( -3.090 -3.836 -5.066) 7.066 3.571 ( 11.019 -2.510 9.112) 14.517 3.670 ( 8.513 4.400 2.515) 9.908 3.771 ( 9.085 -0.592 -1.306) 9.197 4.015 ( 3.176 1.983 -3.036) 4.820 4.140 ( -5.382 3.241 -4.475) 7.713 4.145 ( -5.852 3.168 -5.351) 8.538 4.339 ( -3.858 -0.028 2.534) 4.616 4.440 ( -1.082 8.512 -1.718) 8.751 4.691 ( -5.083 6.420 2.265) 8.496 4.750 ( 6.949 -2.501 -4.183) 8.488 4.834 ( 1.500 -1.248 -2.827) 3.435 4.860 ( -2.421 1.006 0.368) 2.647 5.000 ( 3.163 4.345 4.186) 6.812 5.080 ( -0.839 1.054 -2.441) 2.788 5.124 ( -2.588 4.131 -5.644) 7.458 5.242 ( -3.040 -3.191 -0.249) 4.414 5.291 ( 7.300 -1.997 3.050) 8.160 5.346 ( 3.849 5.098 -6.560) 9.156 5.391 ( 7.011 10.778 5.075) 13.823 5.521 ( -3.396 -2.233 1.520) 4.339 5.730 ( 4.442 -0.302 -3.191) 5.477 5.838 ( -1.772 -3.167 5.162) 6.311 5.952 ( -7.808 -5.704 0.050) 9.670 6.021 ( -0.754 -7.579 -1.687) 7.801 6.059 ( 3.337 -3.524 5.123) 7.057 6.137 ( 0.248 1.414 4.231) 4.468 6.191 ( 1.751 0.503 0.381) 1.861 6.422 ( -0.147 -2.806 7.606) 8.108 6.509 ( 0.108 -6.648 0.999) 6.723 6.610 ( -1.010 -3.454 3.079) 4.736 6.681 ( 3.334 -4.646 -2.564) 6.267 6.764 ( -9.003 7.434 -2.267) 11.894 6.840 ( -6.066 1.030 -1.185) 6.266 6.999 ( -8.015 1.959 -4.402) 9.352 7.139 ( -5.722 1.609 -4.060) 7.198 7.214 ( -1.232 2.447 1.022) 2.924 7.382 ( -3.825 -1.635 -1.590) 4.453 7.432 ( -0.630 -4.664 -4.551) 6.547 7.508 ( -1.885 2.363 0.393) 3.048 7.590 ( 0.121 -0.145 -0.803) 0.825 7.594 ( 6.298 -3.437 0.936) 7.235 7.626 ( 1.416 1.846 1.645) 2.849 7.811 ( 3.784 -1.099 1.356) 4.167 7.839 ( -0.734 -3.040 -3.761) 4.892 7.925 ( -0.457 2.131 5.570) 5.981 8.036 ( 2.983 -0.649 1.731) 3.510 8.139 ( 9.159 -2.024 10.321) 13.947 8.438 ( -5.867 -2.305 4.756) 7.896 8.521 ( -2.440 -4.252 -2.616) 5.557 8.567 ( -0.596 -7.679 1.602) 7.866 8.736 ( 4.362 -11.587 -3.249) 12.800 8.952 ( -4.807 5.227 -1.036) 7.176 8.995 ( -1.379 -1.842 0.811) 2.439 9.118 ( 1.708 -3.820 1.102) 4.327 9.134 ( 1.319 4.209 2.795) 5.222 9.319 ( -5.711 -4.886 0.017) 7.516 9.368 ( -0.665 -5.883 -2.741) 6.524 9.504 ( -7.729 5.260 -4.656) 10.444 9.539 ( 6.733 0.658 -2.219) 7.120 9.645 ( 4.339 -0.646 1.462) 4.625 9.722 ( 4.752 -3.349 -1.208) 5.938 10.222 ( -0.055 2.407 0.308) 2.427 10.342 ( -0.303 0.690 1.349) 1.546 10.398 ( 4.065 1.937 0.089) 4.504 10.487 ( 0.094 -3.572 2.705) 4.481 10.526 ( 4.777 -0.556 2.080) 5.239 10.580 ( 1.971 -3.184 -5.835) 6.933 10.956 ( 1.274 3.726 -0.930) 4.046 11.164 ( 10.197 -4.677 3.033) 11.621 11.568 ( -6.478 4.775 -2.236) 8.353 11.682 ( -1.648 1.030 -3.515) 4.017 11.864 ( -1.872 -0.549 -1.569) 2.504 11.964 ( 1.540 -3.637 -5.189) 6.521 12.435 ( -5.076 4.679 9.380) 11.646 12.595 ( -6.111 -0.723 8.377) 10.394 12.699 ( 5.157 3.675 -5.304) 8.260 12.838 ( 5.776 -1.151 -1.539) 6.087 13.513 ( -4.091 1.239 -2.214) 4.814 13.634 ( -0.106 0.555 0.920) 1.080 13.746 ( -4.957 -3.294 -1.753) 6.205 13.929 ( 4.675 -5.824 0.932) 7.526 14.348 ( -8.069 0.431 -9.201) 12.246 14.420 ( -1.612 -1.196 -3.067) 3.665 14.532 ( 0.343 2.153 4.492) 4.993 14.663 ( 3.121 -3.885 7.623) 9.107 16.154 ( -4.283 1.931 -0.675) 4.747 16.202 ( -0.618 0.529 -0.542) 0.977 16.230 ( 2.309 3.715 1.561) 4.645 16.429 ( 7.072 -4.744 -1.610) 8.666 17.242 ( 0.738 5.060 -1.252) 5.264 17.282 ( 2.540 3.635 0.628) 4.479 17.678 ( -13.164 9.019 3.974) 16.445 18.011 ( -6.304 -6.473 -4.274) 9.995 18.337 ( 2.149 3.791 0.008) 4.358 18.565 ( 3.128 0.396 -3.505) 4.715 18.637 ( 1.249 -5.149 2.301) 5.777 18.728 ( 4.977 -6.909 0.776) 8.550 19.881 ( -5.153 3.660 0.192) 6.323 20.001 ( -5.133 -0.427 0.534) 5.178 20.144 ( 4.024 3.202 0.851) 5.212 20.291 ( 4.422 -2.141 -0.855) 4.987 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -1.818 7.957 3.695) 8.960 2.779 ( -4.843 9.008 1.779) 10.381 2.819 ( 0.126 -7.088 4.165) 8.222 3.061 ( 3.311 10.422 -11.028) 15.531 3.161 ( -4.210 4.791 -7.496) 9.842 3.271 ( 7.993 6.964 0.799) 10.631 3.468 ( -2.985 8.857 19.911) 21.996 3.618 ( -3.190 5.881 0.381) 6.701 3.825 ( 1.756 7.663 1.836) 8.073 3.864 ( -0.671 9.802 -3.572) 10.454 4.049 ( 13.294 0.790 -1.105) 13.363 4.087 ( 0.130 -3.582 -0.939) 3.705 4.121 ( 2.153 0.499 -5.532) 5.957 4.317 ( -1.689 -6.415 -6.936) 9.598 4.439 ( 7.907 9.205 -2.112) 12.318 4.612 ( -0.396 -2.390 1.225) 2.715 4.703 ( -7.566 1.002 1.907) 7.867 4.787 ( 2.990 -2.972 -6.362) 7.632 4.875 ( 0.341 6.378 -1.957) 6.680 4.993 ( -7.236 -1.402 -2.207) 7.694 5.022 ( -1.199 0.412 -6.731) 6.849 5.087 ( -0.068 2.463 1.183) 2.734 5.310 ( 5.131 -0.623 1.885) 5.502 5.370 ( 2.395 -2.336 -2.086) 3.942 5.392 ( 5.348 -0.724 -4.439) 6.988 5.476 ( -2.706 2.745 5.893) 7.042 5.581 ( 7.253 8.740 1.152) 11.416 5.641 ( -7.638 -3.072 0.628) 8.257 5.832 ( -4.611 -7.290 1.421) 8.742 5.907 ( 3.013 0.111 3.398) 4.543 6.033 ( 1.098 -4.799 1.097) 5.044 6.112 ( 4.020 6.686 2.815) 8.294 6.253 ( 2.584 -1.194 2.851) 4.029 6.300 ( 3.492 -2.541 4.529) 6.258 6.384 ( -7.687 5.091 4.757) 10.375 6.477 ( -4.829 2.147 -0.790) 5.343 6.603 ( -4.347 -1.887 0.865) 4.817 6.673 ( -1.362 -3.277 7.208) 8.034 6.709 ( -0.462 0.032 -0.073) 0.468 6.736 ( 0.153 -8.491 -2.903) 8.975 6.848 ( -1.974 4.069 -2.257) 5.055 7.017 ( 0.088 0.694 -7.324) 7.358 7.118 ( -5.704 2.313 -4.462) 7.602 7.205 ( -9.492 -4.391 -3.836) 11.139 7.396 ( -2.840 -3.640 -0.705) 4.670 7.433 ( -1.398 -2.807 -4.391) 5.396 7.651 ( 3.155 -1.601 3.236) 4.795 7.676 ( 4.509 2.599 0.247) 5.210 7.718 ( 4.044 -7.195 3.009) 8.785 7.806 ( -4.543 3.538 3.798) 6.898 7.937 ( 8.666 -2.630 1.616) 9.200 8.055 ( 1.680 0.918 5.609) 5.927 8.116 ( 3.454 6.119 7.229) 10.081 8.317 ( 2.020 1.076 -2.634) 3.490 8.413 ( 0.756 -10.373 -1.527) 10.512 8.482 ( -0.646 -0.250 8.161) 8.190 8.564 ( -3.518 -5.850 9.673) 11.839 8.766 ( 0.461 -9.885 0.368) 9.903 8.838 ( -2.947 -1.165 -4.392) 5.416 9.005 ( -1.771 0.271 2.920) 3.425 9.106 ( -5.114 -0.231 -1.788) 5.423 9.168 ( -0.072 2.085 2.718) 3.426 9.214 ( -2.221 0.466 -5.674) 6.111 9.316 ( 0.922 0.849 -3.937) 4.132 9.402 ( 0.472 -3.498 -0.886) 3.639 9.594 ( 0.672 -5.047 -7.160) 8.786 9.704 ( 3.262 -3.762 3.951) 6.356 9.827 ( 6.724 -4.420 -2.547) 8.440 10.275 ( 3.538 2.446 1.048) 4.427 10.344 ( -0.038 2.814 1.109) 3.024 10.478 ( 3.438 1.926 0.299) 3.952 10.489 ( -1.102 -3.751 0.310) 3.921 10.559 ( 0.358 -1.624 -3.239) 3.641 10.596 ( 2.925 -1.718 -2.430) 4.173 11.020 ( 2.747 8.893 2.939) 9.760 11.319 ( -2.344 -3.826 1.115) 4.624 11.435 ( 2.041 3.867 -3.250) 5.448 11.612 ( -1.204 -3.796 -2.749) 4.839 11.826 ( 0.634 2.318 -2.560) 3.511 11.937 ( -0.102 -3.297 -3.833) 5.057 12.474 ( -0.994 3.413 10.168) 10.772 12.593 ( -2.310 -0.908 8.553) 8.906 12.730 ( 2.099 3.771 -3.006) 5.260 12.894 ( 0.612 -4.255 -1.483) 4.548 13.441 ( -1.055 0.134 -2.466) 2.686 13.581 ( -1.824 4.716 -4.678) 6.889 13.653 ( -5.128 -8.864 0.845) 10.275 13.893 ( -6.915 -9.238 -8.481) 14.321 14.270 ( 8.161 5.175 0.457) 9.674 14.419 ( 3.339 -2.274 -0.925) 4.144 14.551 ( -3.195 3.152 3.332) 5.590 14.705 ( -5.578 -2.965 4.888) 7.987 16.101 ( -0.026 4.122 -0.277) 4.132 16.199 ( 0.306 -0.032 -1.007) 1.053 16.294 ( 1.437 4.131 3.589) 5.658 16.486 ( 2.444 -3.959 -5.097) 6.901 17.270 ( 3.675 5.594 -1.169) 6.794 17.333 ( 1.633 2.375 0.755) 2.980 17.509 ( -7.257 8.172 3.112) 11.364 17.794 ( -11.329 -5.899 -2.907) 13.100 18.409 ( 4.521 4.251 -0.872) 6.266 18.554 ( -0.371 3.877 -3.079) 4.965 18.705 ( 3.119 -7.040 2.414) 8.069 18.804 ( 1.460 -8.389 1.269) 8.609 19.817 ( -1.461 2.154 0.002) 2.603 19.903 ( -5.071 -1.228 0.272) 5.225 20.241 ( 5.090 2.874 0.431) 5.861 20.337 ( 0.594 -1.055 0.415) 1.280 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 6.177 6.910 8.104) 12.312 2.633 ( -7.810 9.502 -1.164) 12.354 2.852 ( -15.359 0.905 2.029) 15.518 2.910 ( 4.790 -0.303 -3.960) 6.222 3.153 ( 1.756 12.820 6.046) 14.283 3.387 ( 2.501 6.698 -8.170) 10.856 3.503 ( 11.402 6.009 3.053) 13.245 3.631 ( -10.622 3.371 -2.793) 11.489 3.794 ( 1.080 7.614 6.426) 10.022 3.940 ( 4.794 7.099 2.074) 8.813 4.039 ( 1.921 -1.176 -4.991) 5.476 4.089 ( -5.558 -1.220 -0.372) 5.702 4.184 ( 2.876 4.658 -0.060) 5.474 4.267 ( 5.749 1.855 -10.944) 12.501 4.538 ( -3.948 -3.767 3.266) 6.359 4.630 ( 3.439 -2.398 -7.544) 8.630 4.660 ( -2.025 3.315 7.163) 8.148 4.782 ( -0.936 -0.413 -1.261) 1.624 4.802 ( 0.763 1.697 -3.114) 3.628 4.886 ( -3.807 0.585 -4.903) 6.235 5.011 ( -2.905 2.541 2.984) 4.878 5.103 ( 6.802 -5.910 -4.442) 10.046 5.283 ( -4.936 3.518 3.237) 6.871 5.340 ( 1.974 0.543 -1.858) 2.764 5.387 ( 0.892 3.211 1.830) 3.802 5.478 ( -4.255 0.904 -4.599) 6.330 5.639 ( 1.274 6.133 4.381) 7.644 5.694 ( -0.730 9.072 1.183) 9.178 5.830 ( -0.566 -7.807 5.483) 9.557 5.936 ( 2.506 -3.491 -3.173) 5.342 6.071 ( 1.937 -8.527 3.625) 9.466 6.159 ( -6.158 -9.820 -3.986) 12.257 6.228 ( 1.604 12.319 5.807) 13.714 6.350 ( -1.649 7.237 -2.960) 7.991 6.380 ( 7.614 2.326 1.108) 8.038 6.479 ( -5.772 -0.152 -4.503) 7.322 6.512 ( 3.515 -5.198 10.019) 11.822 6.652 ( -3.775 -0.741 -0.637) 3.899 6.704 ( -2.222 -4.307 8.061) 9.406 6.795 ( 1.248 -2.929 2.764) 4.217 6.859 ( 2.781 -0.193 -6.692) 7.249 6.978 ( 0.143 -3.850 -4.894) 6.229 7.024 ( -1.479 0.336 0.719) 1.678 7.097 ( 3.211 -1.554 -2.917) 4.609 7.323 ( -4.982 -3.555 1.150) 6.227 7.386 ( 2.412 -6.253 -4.918) 8.313 7.672 ( -9.664 1.063 4.799) 10.842 7.724 ( -1.524 -2.139 7.145) 7.612 7.766 ( 6.934 4.935 -3.965) 9.389 7.869 ( 6.213 -2.721 -0.837) 6.835 8.064 ( 1.546 2.683 1.338) 3.374 8.083 ( 0.194 3.261 -1.943) 3.801 8.196 ( 3.471 -6.279 3.647) 8.048 8.272 ( -3.684 -5.763 -4.198) 8.025 8.447 ( -3.288 6.467 9.110) 11.646 8.525 ( 3.732 0.605 2.517) 4.542 8.625 ( -4.157 -1.466 7.862) 9.013 8.729 ( 2.373 -0.956 -3.348) 4.214 8.891 ( 7.000 -10.535 2.590) 12.911 8.939 ( -4.874 -4.922 -1.319) 7.051 9.019 ( -0.462 0.677 0.224) 0.850 9.151 ( 0.164 -1.402 -7.088) 7.227 9.186 ( -2.253 4.066 4.686) 6.601 9.298 ( 0.857 2.385 -5.906) 6.427 9.441 ( 1.414 -8.197 1.937) 8.541 9.501 ( -2.791 -8.688 -4.786) 10.304 9.781 ( -0.010 -2.697 3.515) 4.431 9.876 ( 1.600 -5.788 -4.625) 7.579 10.327 ( 0.161 1.330 2.538) 2.870 10.350 ( -0.975 1.210 0.621) 1.674 10.450 ( -3.744 1.435 1.407) 4.249 10.512 ( 1.908 2.795 -3.877) 5.146 10.545 ( -1.200 -1.062 2.117) 2.656 10.605 ( 1.600 -1.550 -3.802) 4.406 11.088 ( 0.536 6.851 4.866) 8.421 11.199 ( -0.780 3.757 -5.482) 6.692 11.520 ( -0.040 -1.799 2.007) 2.696 11.592 ( 4.047 -3.861 -4.763) 7.347 11.849 ( 0.893 1.097 -0.099) 1.418 11.880 ( -1.430 -0.738 -2.967) 3.375 12.535 ( -5.141 3.393 11.410) 12.966 12.627 ( -2.719 0.312 8.093) 8.543 12.771 ( 6.150 -1.113 -4.221) 7.542 12.853 ( 1.938 -4.842 -6.586) 8.401 13.439 ( 1.516 0.324 0.860) 1.773 13.495 ( -3.877 0.844 -3.999) 5.634 13.616 ( 1.221 -6.393 1.931) 6.789 13.704 ( -3.286 -6.700 -6.685) 10.019 14.461 ( -6.261 1.988 2.112) 6.901 14.492 ( 10.237 2.645 -0.206) 10.575 14.528 ( 0.453 -0.336 3.392) 3.439 14.577 ( -2.412 -1.164 -1.433) 3.037 16.133 ( 0.167 3.808 2.085) 4.345 16.175 ( -0.355 1.956 -1.832) 2.704 16.342 ( 0.058 1.838 4.073) 4.469 16.445 ( -0.930 -1.296 -5.421) 5.650 17.297 ( -4.574 6.854 2.499) 8.610 17.352 ( 4.741 4.191 -2.647) 6.859 17.529 ( 3.965 0.194 3.667) 5.404 17.602 ( -4.488 -2.217 -3.396) 6.049 18.472 ( 2.669 4.442 0.075) 5.183 18.505 ( -1.676 4.774 -3.019) 5.892 18.780 ( 2.193 -8.345 2.020) 8.862 18.799 ( -2.076 -7.965 0.171) 8.233 19.829 ( 2.095 0.182 0.380) 2.137 19.831 ( -2.684 0.132 0.232) 2.697 20.315 ( -1.288 0.960 0.585) 1.710 20.328 ( 2.231 0.298 -0.628) 2.336 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -6.127 13.135 0.063) 14.494 2.628 ( -16.001 4.892 15.745) 22.976 2.839 ( 11.812 4.887 9.052) 15.663 2.933 ( -0.880 4.361 -5.584) 7.140 3.144 ( -1.511 4.400 -3.848) 6.037 3.380 ( -6.116 0.713 -8.095) 10.170 3.519 ( 12.745 9.565 1.932) 16.051 3.757 ( 7.589 7.025 5.483) 11.705 3.829 ( -1.325 7.214 0.786) 7.377 3.938 ( -3.273 -0.363 -8.241) 8.875 3.965 ( -7.334 11.717 -1.950) 13.960 4.027 ( -1.004 1.704 -1.574) 2.528 4.191 ( 3.709 -7.513 -0.611) 8.401 4.317 ( 5.643 0.608 -8.793) 10.465 4.395 ( -8.166 6.679 -1.688) 10.683 4.610 ( -0.188 -1.807 5.072) 5.387 4.717 ( -1.851 4.238 3.037) 5.532 4.743 ( -5.115 -0.394 -3.040) 5.963 4.845 ( 6.363 1.590 -1.745) 6.787 4.868 ( 4.895 -4.773 7.256) 9.970 4.917 ( -2.641 -3.579 1.546) 4.709 5.156 ( -2.538 5.615 -1.592) 6.364 5.248 ( 2.897 -3.657 -0.022) 4.665 5.346 ( -4.026 6.507 -1.063) 7.725 5.403 ( -8.534 5.196 0.840) 10.027 5.532 ( 5.861 -2.443 3.818) 7.409 5.586 ( 1.262 5.551 -2.169) 6.092 5.647 ( -4.771 -1.845 0.312) 5.125 5.781 ( -3.144 -4.665 4.546) 7.233 5.963 ( 0.217 0.641 -4.028) 4.085 6.083 ( 2.072 -13.990 -1.761) 14.252 6.147 ( -2.771 5.710 1.515) 6.525 6.310 ( 0.022 -3.320 4.995) 5.998 6.317 ( -2.076 3.770 -0.601) 4.346 6.366 ( 4.546 5.080 -0.851) 6.870 6.556 ( 3.730 -1.990 -2.946) 5.153 6.580 ( 2.172 0.161 -0.477) 2.229 6.659 ( 2.539 -4.020 7.327) 8.734 6.743 ( -0.579 0.267 2.300) 2.387 6.773 ( -1.161 -5.294 -5.445) 7.683 6.855 ( 2.021 4.445 4.886) 6.908 6.921 ( 2.399 -5.556 -8.884) 10.750 7.054 ( 2.175 2.072 0.826) 3.116 7.187 ( 7.203 -8.328 -0.463) 11.021 7.321 ( 3.069 -1.614 4.350) 5.564 7.411 ( 0.833 -1.876 -1.025) 2.295 7.540 ( -8.517 -0.464 5.069) 9.922 7.719 ( -3.478 -4.617 2.505) 6.300 7.808 ( 1.309 3.170 -6.344) 7.212 7.915 ( 0.732 -0.002 -3.476) 3.552 8.004 ( -3.544 2.083 -2.800) 4.974 8.103 ( -1.027 4.864 -1.719) 5.260 8.212 ( 2.256 -7.739 3.104) 8.638 8.269 ( -0.582 -2.776 -3.968) 4.877 8.386 ( -3.764 1.102 2.712) 4.769 8.568 ( -3.542 -0.118 2.877) 4.565 8.694 ( 5.995 3.418 2.470) 7.330 8.787 ( 4.638 -0.911 -4.325) 6.406 8.847 ( -2.260 -7.221 -4.337) 8.721 9.026 ( 4.061 -0.773 3.212) 5.235 9.084 ( 1.316 -0.391 -3.997) 4.227 9.099 ( 4.870 -4.949 1.917) 7.203 9.171 ( -2.724 2.938 4.375) 5.933 9.266 ( -0.062 1.045 -1.176) 1.575 9.403 ( -2.283 -6.329 -0.341) 6.737 9.496 ( 0.116 -8.273 1.571) 8.421 9.757 ( -4.540 -4.611 2.316) 6.872 9.810 ( -3.585 -5.104 -4.307) 7.580 10.286 ( -5.618 1.718 0.063) 5.875 10.333 ( -1.680 1.387 2.869) 3.602 10.437 ( -0.502 1.945 3.706) 4.215 10.488 ( -1.899 1.047 -1.867) 2.862 10.517 ( -2.947 0.023 1.363) 3.247 10.605 ( 1.287 -3.225 -2.514) 4.287 11.070 ( -2.712 7.176 -0.845) 7.718 11.288 ( 7.858 0.068 1.362) 7.975 11.445 ( -4.189 2.379 -2.829) 5.587 11.634 ( 1.519 -3.264 -3.708) 5.169 11.803 ( 0.739 0.776 -0.603) 1.229 11.892 ( -0.077 -1.840 0.243) 1.858 12.492 ( -6.916 4.176 7.260) 10.862 12.621 ( -4.734 -2.385 5.271) 7.476 12.804 ( 5.749 2.168 -7.928) 10.030 12.933 ( 6.781 -4.886 -4.370) 9.432 13.412 ( -2.077 1.218 -0.258) 2.422 13.489 ( 1.920 3.843 3.526) 5.558 13.676 ( 3.266 -8.250 -1.079) 8.939 13.737 ( 8.079 -8.270 4.889) 12.552 14.286 ( -11.048 3.974 -0.563) 11.755 14.395 ( -6.417 -2.514 1.126) 6.984 14.615 ( 5.985 4.120 -2.758) 7.772 14.774 ( 10.312 -2.141 -1.087) 10.588 16.089 ( -2.705 3.583 0.781) 4.557 16.185 ( -0.617 0.054 -0.157) 0.639 16.366 ( -1.880 1.249 4.104) 4.684 16.385 ( -0.994 0.955 -2.718) 3.047 17.239 ( -3.106 7.483 1.375) 8.218 17.350 ( -3.309 0.526 -0.518) 3.390 17.588 ( 9.264 4.682 -4.229) 11.208 17.713 ( 8.503 -3.320 4.430) 10.147 18.433 ( -2.433 4.985 -3.017) 6.314 18.518 ( 1.372 3.951 0.543) 4.217 18.738 ( -3.295 -7.206 -0.730) 7.957 18.811 ( -1.331 -9.069 0.651) 9.190 19.810 ( 0.520 2.115 0.580) 2.254 19.896 ( 4.250 -1.269 0.775) 4.503 20.249 ( -4.584 2.988 -0.271) 5.478 20.361 ( 0.852 -1.876 -1.559) 2.584 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 5.463 11.062 10.753) 16.366 2.540 ( -11.597 7.817 19.947) 24.362 2.802 ( -7.907 12.002 2.243) 14.547 3.075 ( 5.220 -3.360 -1.455) 6.376 3.148 ( 9.632 5.942 -1.732) 11.449 3.277 ( 1.009 3.299 -7.848) 8.572 3.596 ( -8.040 12.035 -11.560) 18.524 3.702 ( -5.759 9.424 0.642) 11.063 3.785 ( -10.674 -1.442 -7.736) 13.261 3.814 ( 1.915 0.188 -8.564) 8.778 3.930 ( -1.211 -0.362 1.679) 2.101 4.015 ( 4.909 1.501 4.932) 7.118 4.157 ( 1.460 6.730 -3.508) 7.728 4.357 ( 6.210 -5.265 2.400) 8.488 4.432 ( 6.726 10.562 -4.204) 13.209 4.615 ( -3.831 -1.673 5.818) 7.164 4.695 ( 3.421 -2.721 -1.455) 4.607 4.772 ( 3.702 2.854 5.573) 7.274 4.883 ( -1.065 5.103 0.132) 5.215 4.960 ( -0.147 -0.058 3.384) 3.388 5.058 ( 4.634 -1.740 3.467) 6.043 5.138 ( -1.057 5.947 1.488) 6.220 5.168 ( -6.371 3.669 -0.786) 7.394 5.232 ( -3.643 3.143 3.441) 5.916 5.308 ( -1.503 -1.692 1.173) 2.549 5.419 ( -6.883 1.072 -1.273) 7.081 5.615 ( -1.335 -2.131 -2.769) 3.740 5.687 ( 0.662 -1.395 0.826) 1.751 5.834 ( 0.865 -0.624 6.407) 6.495 5.954 ( 3.617 -5.529 -3.664) 7.555 6.043 ( -1.648 3.170 -3.765) 5.190 6.097 ( -3.420 -10.947 0.965) 11.510 6.264 ( 0.340 -0.433 -5.342) 5.370 6.293 ( -4.825 0.288 -3.064) 5.723 6.406 ( -6.335 -0.241 3.853) 7.418 6.541 ( 3.170 -2.147 -2.298) 4.466 6.624 ( -1.427 -5.009 0.906) 5.286 6.689 ( 4.277 3.643 3.125) 6.428 6.723 ( -0.744 0.198 -3.778) 3.856 6.879 ( 9.999 0.274 3.905) 10.738 6.935 ( 4.485 -2.958 -5.593) 7.755 7.030 ( 9.581 4.502 5.781) 12.061 7.171 ( 6.000 -3.229 4.773) 8.319 7.321 ( 5.166 -6.083 3.272) 8.625 7.353 ( -4.664 0.620 2.987) 5.573 7.443 ( 3.687 1.200 0.871) 3.974 7.491 ( -1.184 -2.769 6.055) 6.762 7.659 ( -2.998 -6.207 -1.576) 7.070 7.712 ( -4.196 1.389 -5.287) 6.891 7.871 ( -1.646 2.798 -5.250) 6.172 7.907 ( -1.273 -0.202 -6.467) 6.594 8.026 ( -6.298 5.503 1.403) 8.480 8.125 ( -5.604 -2.823 -9.819) 11.653 8.259 ( -3.705 -0.953 -0.101) 3.827 8.407 ( 3.528 -9.583 3.293) 10.729 8.574 ( 2.543 -2.640 -1.473) 3.950 8.657 ( -3.799 0.934 -6.883) 7.917 8.751 ( -3.486 -7.312 -5.092) 9.568 8.881 ( 5.692 5.070 3.278) 8.297 9.043 ( -2.061 1.053 -2.178) 3.178 9.125 ( -1.325 -4.444 -0.305) 4.647 9.195 ( 3.161 -2.748 2.288) 4.773 9.203 ( 4.056 1.414 3.682) 5.658 9.324 ( 4.841 -3.494 3.618) 6.981 9.421 ( 2.549 -1.260 2.201) 3.596 9.486 ( -1.230 -1.424 2.331) 2.996 9.685 ( -6.337 -1.470 -0.898) 6.567 9.720 ( -0.473 -6.205 -1.582) 6.421 10.210 ( -1.796 2.927 1.311) 3.676 10.328 ( -2.151 0.452 3.131) 3.825 10.398 ( -3.243 3.222 -0.891) 4.657 10.462 ( -2.573 0.748 4.046) 4.853 10.495 ( -2.162 -2.829 1.112) 3.730 10.599 ( 1.211 -6.878 -2.761) 7.510 10.981 ( -3.850 7.013 -3.359) 8.677 11.241 ( -8.441 -4.496 -3.232) 10.095 11.529 ( 9.535 5.420 0.841) 11.000 11.628 ( 0.840 1.275 1.164) 1.920 11.869 ( 5.339 -2.609 -1.364) 6.097 11.889 ( 0.306 -2.141 1.052) 2.406 12.448 ( -4.480 5.158 6.816) 9.650 12.599 ( -1.603 -1.787 3.853) 4.539 12.790 ( 0.070 3.451 -8.915) 9.560 12.928 ( -0.580 -2.813 -8.536) 9.006 13.433 ( 2.188 2.332 4.656) 5.648 13.595 ( 4.608 4.753 3.981) 7.724 13.722 ( 1.985 -7.406 0.339) 7.675 13.919 ( 1.967 -9.176 2.731) 9.774 14.186 ( 2.853 3.262 5.122) 6.709 14.335 ( -2.378 -3.325 3.985) 5.709 14.649 ( 1.542 4.997 -5.508) 7.595 14.831 ( -0.107 -3.605 -7.752) 8.550 16.112 ( 3.083 1.236 2.802) 4.345 16.158 ( -1.263 -0.249 2.002) 2.380 16.322 ( -1.279 2.195 -4.753) 5.389 16.360 ( -4.677 -0.000 4.400) 6.422 17.217 ( -0.408 6.872 0.929) 6.947 17.290 ( -2.560 1.930 -0.013) 3.206 17.771 ( 14.029 4.744 -4.591) 15.505 17.885 ( 2.830 -1.221 6.742) 7.413 18.379 ( 0.669 2.390 -3.202) 4.051 18.530 ( -0.738 1.748 0.067) 1.899 18.677 ( -2.041 -6.552 -1.455) 7.015 18.739 ( -6.062 -7.269 -0.285) 9.469 19.864 ( 4.031 3.684 1.517) 5.668 19.990 ( 4.344 -0.890 1.468) 4.671 20.157 ( -4.660 3.649 -0.411) 5.933 20.323 ( -2.440 -3.058 -3.354) 5.153 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -3.935 -4.946 13.910) 15.279 2.672 ( -3.935 4.946 13.910) 15.279 3.093 ( 5.005 -6.800 7.279) 11.148 3.093 ( 5.005 6.800 7.279) 11.148 3.318 ( 2.477 -5.223 -10.187) 11.713 3.318 ( 2.477 5.223 -10.187) 11.713 3.408 ( -5.888 -4.045 -9.936) 12.237 3.408 ( -5.888 4.045 -9.936) 12.237 3.697 ( -1.208 -1.934 -1.726) 2.859 3.697 ( -1.208 1.934 -1.726) 2.859 4.022 ( 2.645 -3.054 -2.123) 4.564 4.022 ( 2.645 3.054 -2.123) 4.564 4.409 ( -1.684 -2.614 5.907) 6.676 4.409 ( -1.684 2.614 5.907) 6.676 4.547 ( 4.583 -4.179 -4.677) 7.768 4.547 ( 4.583 4.179 -4.677) 7.768 4.793 ( -1.142 -1.720 1.052) 2.317 4.793 ( -1.142 1.720 1.052) 2.317 5.018 ( 2.872 -9.005 0.228) 9.454 5.018 ( 2.872 9.005 0.228) 9.454 5.051 ( -1.534 -5.820 0.629) 6.052 5.051 ( -1.534 5.820 0.629) 6.052 5.270 ( 2.457 -2.974 -1.056) 4.000 5.270 ( 2.457 2.974 -1.056) 4.000 5.440 ( -2.830 -6.276 10.754) 12.769 5.440 ( -2.830 6.276 10.754) 12.769 5.629 ( 2.482 -10.022 -2.569) 10.639 5.629 ( 2.482 10.022 -2.569) 10.639 5.860 ( -2.979 -4.217 0.532) 5.190 5.860 ( -2.979 4.217 0.532) 5.190 5.929 ( -0.441 -5.559 -5.398) 7.762 5.929 ( -0.441 5.559 -5.398) 7.762 6.188 ( -0.535 -2.588 1.347) 2.966 6.188 ( -0.535 2.588 1.347) 2.966 6.375 ( -1.845 -5.615 -2.903) 6.585 6.375 ( -1.845 5.615 -2.903) 6.585 6.648 ( -3.040 -1.966 3.008) 4.707 6.648 ( -3.040 1.966 3.008) 4.707 6.961 ( 1.836 -3.011 -1.118) 3.699 6.961 ( 1.836 3.011 -1.118) 3.699 7.064 ( 3.295 -4.709 4.452) 7.270 7.064 ( 3.295 4.709 4.452) 7.270 7.303 ( -2.046 -6.641 -3.010) 7.573 7.303 ( -2.046 6.641 -3.010) 7.573 7.414 ( 3.280 -4.210 8.488) 10.026 7.414 ( 3.280 4.210 8.488) 10.026 7.632 ( 0.574 -3.739 -5.493) 6.670 7.632 ( 0.574 3.739 -5.493) 6.670 7.668 ( 1.857 -4.854 6.663) 8.450 7.668 ( 1.857 4.854 6.663) 8.450 7.890 ( -6.503 -3.816 -9.900) 12.445 7.890 ( -6.503 3.816 -9.900) 12.445 8.114 ( -0.339 -3.940 0.865) 4.048 8.114 ( -0.339 3.940 0.865) 4.048 8.354 ( 0.174 -4.017 -2.339) 4.652 8.354 ( 0.174 4.017 -2.339) 4.652 8.635 ( -1.500 -3.303 -3.325) 4.921 8.635 ( -1.500 3.303 -3.325) 4.921 8.962 ( -1.930 -0.931 -0.401) 2.180 8.962 ( -1.930 0.931 -0.401) 2.180 9.157 ( 1.210 -4.353 2.750) 5.289 9.157 ( 1.210 4.353 2.750) 5.289 9.294 ( 1.072 -3.424 -1.233) 3.794 9.294 ( 1.072 3.424 -1.233) 3.794 9.518 ( 0.963 -0.343 2.875) 3.051 9.518 ( 0.963 0.343 2.875) 3.051 9.667 ( 1.358 -1.299 -0.920) 2.093 9.667 ( 1.358 1.299 -0.920) 2.093 10.290 ( -1.168 -1.063 2.970) 3.363 10.290 ( -1.168 1.063 2.970) 3.363 10.402 ( -0.060 -1.275 -1.253) 1.789 10.402 ( -0.060 1.275 -1.253) 1.789 10.510 ( 1.345 -2.824 1.009) 3.287 10.510 ( 1.345 2.824 1.009) 3.287 10.999 ( -1.459 -2.593 -2.942) 4.184 10.999 ( -1.459 2.593 -2.942) 4.184 11.710 ( 0.783 -1.455 1.471) 2.212 11.710 ( 0.783 1.455 1.471) 2.212 11.885 ( 2.831 -2.228 -2.398) 4.328 11.885 ( 2.831 2.228 -2.398) 4.328 12.560 ( -4.550 -4.584 10.102) 11.990 12.560 ( -4.550 4.584 10.102) 11.990 12.773 ( 1.477 -3.713 -10.190) 10.946 12.773 ( 1.477 3.713 -10.190) 10.946 13.602 ( 0.500 -3.153 2.124) 3.835 13.602 ( 0.500 3.153 2.124) 3.835 13.783 ( 0.138 -2.860 0.522) 2.911 13.783 ( 0.138 2.860 0.522) 2.911 14.384 ( 5.383 -0.272 8.209) 9.821 14.384 ( 5.383 0.272 8.209) 9.821 14.617 ( -5.390 -1.557 -9.206) 10.781 14.617 ( -5.390 1.557 -9.206) 10.781 16.205 ( 2.768 -2.811 3.721) 5.423 16.205 ( 2.768 2.811 3.721) 5.423 16.278 ( -2.587 -0.529 -2.548) 3.670 16.278 ( -2.587 0.529 -2.548) 3.670 17.299 ( 0.096 -0.148 0.424) 0.459 17.299 ( 0.096 0.148 0.424) 0.460 17.962 ( 0.170 -3.677 1.081) 3.836 17.962 ( 0.170 3.677 1.081) 3.836 18.403 ( 0.118 -3.187 -2.198) 3.873 18.403 ( 0.118 3.187 -2.198) 3.873 18.620 ( 0.063 -0.318 0.026) 0.325 18.620 ( 0.063 0.318 0.026) 0.325 20.029 ( -0.395 -2.705 3.294) 4.281 20.029 ( -0.395 2.705 3.294) 4.281 20.165 ( 0.289 -3.956 -3.314) 5.169 20.165 ( 0.289 3.956 -3.314) 5.169 ======================= Grid point 143 (76/80) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -7.605 -8.601 6.584) 13.235 2.665 ( -7.605 8.601 6.584) 13.235 3.052 ( -3.549 -7.622 -0.410) 8.418 3.052 ( -3.549 7.622 -0.410) 8.418 3.310 ( 2.105 -3.576 -11.369) 12.103 3.310 ( 2.105 3.576 -11.369) 12.103 3.478 ( 9.410 -6.794 9.721) 15.139 3.478 ( 9.410 6.794 9.721) 15.139 3.763 ( 7.601 -4.063 3.172) 9.183 3.763 ( 7.601 4.063 3.172) 9.183 4.068 ( 5.931 -4.154 -6.113) 9.476 4.068 ( 5.931 4.154 -6.113) 9.476 4.278 ( -9.984 -5.066 -1.504) 11.296 4.278 ( -9.984 5.066 -1.504) 11.296 4.611 ( 3.082 -7.478 -3.474) 8.803 4.611 ( 3.082 7.478 -3.474) 8.803 4.819 ( -7.903 -4.842 -5.322) 10.687 4.819 ( -7.903 4.842 -5.322) 10.687 4.908 ( 5.994 -8.976 7.457) 13.119 4.908 ( 5.994 8.976 7.457) 13.119 5.135 ( -1.951 -4.992 -3.744) 6.538 5.135 ( -1.951 4.992 -3.744) 6.538 5.216 ( -0.452 -3.920 -1.574) 4.248 5.216 ( -0.452 3.920 -1.574) 4.248 5.532 ( 0.754 -5.145 2.703) 5.861 5.532 ( 0.754 5.145 2.703) 5.861 5.596 ( -1.331 -7.901 0.162) 8.014 5.596 ( -1.331 7.901 0.162) 8.014 5.840 ( -1.619 -5.928 1.804) 6.404 5.840 ( -1.619 5.928 1.804) 6.404 5.951 ( 4.701 -1.858 0.164) 5.057 5.951 ( 4.701 1.858 0.164) 5.057 6.268 ( 7.356 -3.369 1.753) 8.279 6.268 ( 7.356 3.369 1.753) 8.279 6.347 ( -0.954 -4.095 3.347) 5.374 6.347 ( -0.954 4.095 3.347) 5.374 6.602 ( -5.638 -2.428 3.933) 7.290 6.602 ( -5.638 2.428 3.933) 7.290 6.919 ( -3.258 -2.068 -3.237) 5.037 6.919 ( -3.258 2.068 -3.237) 5.037 7.042 ( -3.981 -9.094 -4.086) 10.735 7.042 ( -3.981 9.094 -4.086) 10.735 7.264 ( -5.794 -5.852 0.031) 8.235 7.264 ( -5.794 5.852 0.031) 8.235 7.441 ( -0.472 -4.892 -0.633) 4.955 7.441 ( -0.472 4.892 -0.633) 4.955 7.616 ( -0.463 -2.689 0.336) 2.749 7.616 ( -0.463 2.689 0.336) 2.749 7.702 ( 1.095 -7.772 -6.048) 9.909 7.702 ( 1.095 7.772 -6.048) 9.909 7.881 ( 6.203 -5.943 9.570) 12.860 7.881 ( 6.203 5.943 9.570) 12.860 8.142 ( 2.102 -8.476 2.281) 9.026 8.142 ( 2.102 8.476 2.281) 9.026 8.365 ( 1.996 -7.874 -0.131) 8.124 8.365 ( 1.996 7.874 -0.131) 8.124 8.556 ( -5.633 -5.115 1.323) 7.723 8.556 ( -5.633 5.115 1.323) 7.723 8.982 ( 1.368 -1.096 2.607) 3.142 8.982 ( 1.368 1.096 2.607) 3.142 9.151 ( -1.532 -4.800 -0.693) 5.086 9.151 ( -1.532 4.800 -0.693) 5.086 9.269 ( -1.475 -3.139 -1.434) 3.753 9.269 ( -1.475 3.139 -1.434) 3.753 9.590 ( 1.170 -1.433 -4.598) 4.956 9.590 ( 1.170 1.433 -4.598) 4.956 9.630 ( 1.012 -3.357 0.017) 3.506 9.630 ( 1.012 3.357 0.017) 3.506 10.292 ( 0.338 -3.939 1.707) 4.306 10.292 ( 0.338 3.939 1.707) 4.306 10.439 ( 2.725 -1.821 0.709) 3.353 10.439 ( 2.725 1.821 0.709) 3.353 10.537 ( 2.227 -1.403 -2.315) 3.506 10.537 ( 2.227 1.403 -2.315) 3.506 11.056 ( 6.848 -5.371 2.223) 8.982 11.056 ( 6.848 5.371 2.223) 8.982 11.654 ( -5.704 -3.238 -2.491) 7.016 11.654 ( -5.704 3.238 -2.491) 7.016 11.895 ( 1.391 -2.922 -3.920) 5.084 11.895 ( 1.391 2.922 -3.920) 5.084 12.537 ( -5.850 -4.436 8.942) 11.570 12.537 ( -5.850 4.436 8.942) 11.570 12.786 ( 5.029 -3.759 -3.706) 7.291 12.786 ( 5.029 3.759 -3.705) 7.291 13.570 ( -4.046 -4.344 -0.441) 5.953 13.570 ( -4.046 4.344 -0.441) 5.953 13.793 ( 0.057 -6.119 -1.130) 6.222 13.793 ( 0.057 6.119 -1.130) 6.222 14.381 ( -3.918 -2.165 -7.007) 8.315 14.381 ( -3.918 2.165 -7.007) 8.315 14.593 ( 2.052 -3.158 7.513) 8.405 14.593 ( 2.052 3.158 7.513) 8.405 16.190 ( -1.672 -1.320 -2.067) 2.968 16.190 ( -1.672 1.320 -2.067) 2.968 16.323 ( 4.140 -4.983 2.000) 6.780 16.323 ( 4.140 4.983 2.000) 6.780 17.314 ( 1.380 -1.118 -0.111) 1.780 17.314 ( 1.380 1.118 -0.111) 1.780 17.854 ( -10.072 -8.111 -0.457) 12.940 17.854 ( -10.072 8.111 -0.457) 12.940 18.455 ( 4.801 -7.205 -0.103) 8.659 18.455 ( 4.801 7.205 -0.103) 8.659 18.638 ( 1.777 -2.777 -0.211) 3.304 18.638 ( 1.777 2.777 -0.211) 3.304 19.955 ( -6.322 -3.262 0.574) 7.137 19.955 ( -6.322 3.262 0.574) 7.137 20.226 ( 5.173 -3.884 -0.396) 6.481 20.226 ( 5.173 3.884 -0.396) 6.481 ======================= Grid point 145 (77/80) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -2.480 -9.839 4.341) 11.036 2.596 ( -2.480 9.839 4.341) 11.036 3.016 ( -4.581 -9.160 -0.627) 10.261 3.016 ( -4.581 9.160 -0.627) 10.261 3.286 ( 6.892 -5.583 -6.867) 11.217 3.286 ( 6.892 5.583 -6.867) 11.217 3.671 ( -2.215 -5.352 14.925) 16.010 3.671 ( -2.215 5.352 14.925) 16.010 3.942 ( 4.973 -6.280 0.437) 8.022 3.942 ( 4.973 6.280 0.436) 8.022 4.054 ( -4.989 -7.411 -4.146) 9.849 4.054 ( -4.989 7.411 -4.146) 9.849 4.162 ( 9.800 -7.070 -10.380) 15.930 4.162 ( 9.800 7.070 -10.380) 15.930 4.593 ( -1.699 -3.352 -1.814) 4.172 4.593 ( -1.699 3.352 -1.814) 4.172 4.704 ( -0.802 -1.512 -0.094) 1.714 4.704 ( -0.802 1.512 -0.094) 1.714 4.946 ( -3.414 -1.801 -6.076) 7.199 4.946 ( -3.414 1.801 -6.076) 7.199 5.114 ( 2.777 -11.386 -3.787) 12.316 5.114 ( 2.777 11.386 -3.787) 12.316 5.273 ( 5.756 -6.969 7.245) 11.584 5.273 ( 5.756 6.969 7.245) 11.584 5.430 ( -9.219 -7.660 0.062) 11.987 5.430 ( -9.219 7.660 0.062) 11.987 5.681 ( 6.276 -8.675 3.289) 11.202 5.681 ( 6.276 8.675 3.289) 11.202 5.805 ( -3.765 -6.472 0.790) 7.529 5.805 ( -3.765 6.472 0.790) 7.529 6.033 ( 3.452 -6.184 -0.428) 7.095 6.033 ( 3.452 6.184 -0.428) 7.095 6.375 ( 0.157 -1.074 3.556) 3.718 6.375 ( 0.157 1.074 3.556) 3.718 6.426 ( 0.813 -4.813 2.319) 5.404 6.426 ( 0.813 4.813 2.319) 5.404 6.546 ( 0.466 -0.653 4.717) 4.784 6.546 ( 0.466 0.653 4.717) 4.784 6.805 ( -5.603 -2.699 -4.170) 7.488 6.805 ( -5.603 2.699 -4.170) 7.488 6.956 ( -0.826 -12.470 -4.962) 13.446 6.956 ( -0.826 12.470 -4.962) 13.446 7.080 ( -7.156 -5.797 -2.224) 9.474 7.080 ( -7.156 5.797 -2.224) 9.474 7.398 ( -5.232 -1.512 -3.031) 6.233 7.398 ( -5.232 1.512 -3.031) 6.233 7.619 ( 3.491 -1.160 3.077) 4.795 7.619 ( 3.491 1.160 3.077) 4.795 7.800 ( 5.416 -6.714 1.946) 8.843 7.800 ( 5.416 6.714 1.946) 8.843 7.983 ( 1.164 -9.727 0.727) 9.823 7.983 ( 1.164 9.727 0.727) 9.823 8.260 ( 4.439 -4.846 3.342) 7.373 8.260 ( 4.439 4.846 3.342) 7.373 8.394 ( -0.611 -7.798 5.114) 9.346 8.394 ( -0.611 7.798 5.114) 9.346 8.522 ( 0.025 -3.773 7.506) 8.401 8.522 ( 0.025 3.773 7.506) 8.401 8.946 ( -5.693 -5.096 -1.874) 7.867 8.946 ( -5.693 5.096 -1.874) 7.867 9.153 ( -0.909 -3.571 0.549) 3.725 9.153 ( -0.909 3.571 0.549) 3.725 9.244 ( 0.984 -3.891 -1.153) 4.176 9.244 ( 0.984 3.891 -1.153) 4.176 9.460 ( -2.852 -5.958 -7.760) 10.191 9.460 ( -2.852 5.958 -7.760) 10.191 9.731 ( 5.564 -4.551 -1.229) 7.293 9.731 ( 5.564 4.551 -1.229) 7.293 10.330 ( 1.669 -2.669 0.880) 3.269 10.330 ( 1.669 2.669 0.880) 3.269 10.487 ( 1.209 -1.493 1.777) 2.617 10.487 ( 1.209 1.493 1.777) 2.617 10.557 ( 2.704 -1.673 -3.277) 4.565 10.557 ( 2.704 1.673 -3.277) 4.565 11.192 ( 2.688 -7.385 3.021) 8.419 11.192 ( 2.688 7.385 3.021) 8.419 11.529 ( -2.398 -4.264 -3.436) 5.978 11.529 ( -2.398 4.264 -3.436) 5.978 11.880 ( 0.946 -2.593 -3.129) 4.172 11.880 ( 0.946 2.593 -3.129) 4.172 12.548 ( -2.307 -3.313 9.615) 10.428 12.548 ( -2.307 3.313 9.615) 10.428 12.815 ( 0.910 -3.687 -3.257) 5.004 12.815 ( 0.910 3.687 -3.257) 5.004 13.491 ( -3.313 -5.312 -0.419) 6.275 13.491 ( -3.313 5.312 -0.419) 6.275 13.715 ( -4.018 -7.551 -6.697) 10.863 13.715 ( -4.018 7.551 -6.697) 10.863 14.357 ( 5.680 -3.476 -0.801) 6.707 14.357 ( 5.680 3.476 -0.801) 6.707 14.630 ( -4.749 -3.991 4.812) 7.851 14.630 ( -4.749 3.991 4.812) 7.851 16.173 ( 1.100 -2.481 -0.956) 2.878 16.173 ( 1.100 2.481 -0.956) 2.878 16.389 ( 1.459 -4.896 0.617) 5.146 16.389 ( 1.459 4.896 0.617) 5.146 17.349 ( 2.690 -1.513 -0.330) 3.104 17.349 ( 2.690 1.513 -0.330) 3.104 17.662 ( -9.083 -6.714 -1.039) 11.343 17.662 ( -9.083 6.714 -1.039) 11.343 18.535 ( 3.407 -7.374 0.999) 8.184 18.535 ( 3.407 7.374 0.999) 8.184 18.661 ( 0.682 -5.412 -0.553) 5.482 18.661 ( 0.682 5.412 -0.553) 5.482 19.864 ( -3.549 -2.219 0.111) 4.187 19.864 ( -3.549 2.219 0.111) 4.187 20.300 ( 2.778 -2.466 0.202) 3.720 20.300 ( 2.778 2.466 0.202) 3.720 ======================= Grid point 147 (78/80) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.162 -5.388 8.825) 10.341 2.663 ( 0.162 5.388 8.825) 10.341 2.873 ( -3.433 -3.716 -6.575) 8.296 2.873 ( -3.433 3.716 -6.575) 8.296 3.424 ( 5.518 -11.431 5.383) 13.787 3.424 ( 5.518 11.431 5.383) 13.787 3.577 ( -7.306 -8.522 -4.843) 12.225 3.577 ( -7.306 8.522 -4.843) 12.225 3.931 ( -2.248 -5.357 2.960) 6.520 3.931 ( -2.248 5.357 2.960) 6.520 4.097 ( 5.569 -3.375 0.863) 6.569 4.097 ( 5.569 3.375 0.863) 6.569 4.263 ( 5.742 -3.600 -7.211) 9.896 4.263 ( 5.742 3.600 -7.211) 9.896 4.524 ( -2.063 -5.402 -4.785) 7.506 4.524 ( -2.063 5.402 -4.785) 7.506 4.699 ( -1.243 -3.630 3.553) 5.229 4.699 ( -1.243 3.630 3.553) 5.229 4.876 ( 0.781 -4.697 -5.876) 7.563 4.876 ( 0.781 4.697 -5.876) 7.563 5.112 ( -5.441 -1.316 0.203) 5.602 5.112 ( -5.441 1.316 0.203) 5.602 5.259 ( 1.845 -2.808 -0.015) 3.360 5.259 ( 1.845 2.808 -0.015) 3.360 5.477 ( 4.342 -1.324 4.773) 6.587 5.477 ( 4.342 1.324 4.773) 6.587 5.721 ( -3.922 -3.240 -1.217) 5.231 5.721 ( -3.922 3.241 -1.217) 5.231 5.848 ( 1.569 -6.938 7.501) 10.338 5.848 ( 1.569 6.938 7.501) 10.338 6.006 ( -0.670 -5.003 -5.379) 7.376 6.006 ( -0.670 5.003 -5.379) 7.376 6.407 ( 2.657 -2.221 3.068) 4.627 6.407 ( 2.657 2.221 3.068) 4.627 6.436 ( -3.660 -3.772 4.597) 6.982 6.436 ( -3.660 3.772 4.597) 6.982 6.559 ( -0.517 -6.524 -3.669) 7.502 6.559 ( -0.517 6.524 -3.669) 7.502 6.712 ( -1.265 -4.895 0.483) 5.079 6.712 ( -1.265 4.895 0.483) 5.079 6.936 ( 1.002 -8.341 1.729) 8.577 6.936 ( 1.002 8.341 1.729) 8.577 7.022 ( 0.429 -4.591 -4.921) 6.744 7.022 ( 0.429 4.591 -4.921) 6.744 7.289 ( -2.145 -0.582 -0.380) 2.255 7.289 ( -2.145 0.582 -0.380) 2.255 7.685 ( -1.827 -1.339 3.435) 4.115 7.685 ( -1.827 1.339 3.435) 4.115 7.882 ( 4.574 -3.778 -2.414) 6.405 7.882 ( 4.574 3.778 -2.414) 6.405 8.021 ( 1.745 -4.853 1.076) 5.268 8.021 ( 1.745 4.853 1.076) 5.268 8.230 ( -1.640 -3.194 -3.425) 4.962 8.230 ( -1.640 3.194 -3.425) 4.962 8.560 ( 0.145 -4.658 16.918) 17.549 8.560 ( 0.145 4.658 16.918) 17.549 8.622 ( 3.882 -6.252 3.771) 8.269 8.622 ( 3.882 6.252 3.771) 8.269 8.820 ( -0.524 -5.092 -6.561) 8.322 8.820 ( -0.524 5.092 -6.561) 8.322 9.074 ( -2.859 -4.547 -5.597) 7.757 9.074 ( -2.859 4.547 -5.597) 7.757 9.248 ( -0.567 -3.362 0.566) 3.456 9.248 ( -0.567 3.362 0.566) 3.456 9.410 ( -0.128 -1.941 -1.542) 2.482 9.410 ( -0.128 1.941 -1.542) 2.482 9.775 ( 0.805 -2.900 -2.301) 3.788 9.775 ( 0.805 2.900 -2.301) 3.788 10.347 ( -0.825 -0.709 1.022) 1.492 10.347 ( -0.825 0.709 1.022) 1.492 10.506 ( -1.366 -2.699 2.303) 3.802 10.506 ( -1.366 2.699 2.303) 3.802 10.567 ( 1.435 -2.241 -3.280) 4.224 10.567 ( 1.435 2.241 -3.280) 4.224 11.199 ( -1.177 -3.303 1.075) 3.667 11.199 ( -1.177 3.303 1.075) 3.667 11.527 ( 2.981 -2.128 -2.550) 4.463 11.527 ( 2.981 2.128 -2.550) 4.463 11.872 ( -0.180 -0.758 -1.384) 1.589 11.872 ( -0.180 0.758 -1.384) 1.589 12.593 ( -4.936 -2.449 11.647) 12.885 12.593 ( -4.936 2.449 11.647) 12.885 12.794 ( 4.635 -1.750 -7.757) 9.204 12.794 ( 4.635 1.750 -7.757) 9.204 13.461 ( -0.152 -2.405 1.134) 2.664 13.461 ( -0.152 2.405 1.134) 2.664 13.596 ( -1.712 -3.297 -5.232) 6.417 13.596 ( -1.712 3.297 -5.232) 6.417 14.498 ( -1.561 -1.597 2.638) 3.457 14.498 ( -1.561 1.597 2.638) 3.457 14.542 ( 2.529 -1.869 -0.340) 3.163 14.542 ( 2.529 1.869 -0.340) 3.163 16.187 ( -0.079 -1.085 -0.072) 1.091 16.187 ( -0.079 1.086 -0.072) 1.091 16.395 ( -0.513 -2.980 0.269) 3.036 16.395 ( -0.513 2.980 0.269) 3.036 17.383 ( -0.400 -1.275 0.107) 1.340 17.383 ( -0.400 1.275 0.107) 1.340 17.556 ( 0.426 -2.033 -1.087) 2.344 17.556 ( 0.426 2.033 -1.087) 2.344 18.589 ( 1.032 -4.063 0.682) 4.247 18.589 ( 1.032 4.063 0.682) 4.248 18.650 ( -0.660 -3.594 -0.554) 3.696 18.650 ( -0.660 3.594 -0.554) 3.696 19.832 ( -0.280 -0.059 0.259) 0.386 19.832 ( -0.280 0.059 0.259) 0.386 20.329 ( 0.393 -0.301 -0.098) 0.505 20.329 ( 0.393 0.301 -0.098) 0.505 ======================= Grid point 149 (79/80) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -7.191 -5.505 3.815) 9.826 2.610 ( -7.191 5.505 3.815) 9.826 2.929 ( 5.521 -3.808 4.023) 7.821 2.929 ( 5.521 3.808 4.023) 7.821 3.310 ( -6.205 -8.555 -5.718) 12.017 3.310 ( -6.205 8.555 -5.718) 12.017 3.729 ( 10.990 -8.772 8.935) 16.660 3.729 ( 10.990 8.772 8.935) 16.660 3.900 ( -4.916 -4.088 3.311) 7.200 3.900 ( -4.916 4.088 3.311) 7.200 4.096 ( -6.068 -3.005 -10.423) 12.429 4.096 ( -6.068 3.005 -10.423) 12.429 4.196 ( 2.783 -8.390 -9.555) 13.017 4.196 ( 2.783 8.390 -9.555) 13.017 4.530 ( 3.563 -4.777 1.695) 6.196 4.530 ( 3.563 4.777 1.695) 6.196 4.757 ( -2.417 -1.698 -0.402) 2.981 4.757 ( -2.417 1.698 -0.402) 2.981 4.807 ( 0.305 -2.771 3.761) 4.681 4.807 ( 0.305 2.771 3.761) 4.681 5.028 ( 0.564 -11.003 2.550) 11.309 5.028 ( 0.564 11.003 2.550) 11.309 5.390 ( 3.633 -7.227 0.080) 8.089 5.390 ( 3.633 7.227 0.080) 8.089 5.463 ( -4.287 -4.318 -4.974) 7.860 5.463 ( -4.287 4.318 -4.974) 7.860 5.663 ( -8.484 -6.595 3.321) 11.247 5.663 ( -8.484 6.595 3.321) 11.247 5.787 ( 2.641 -11.731 2.450) 12.272 5.787 ( 2.641 11.732 2.450) 12.272 6.066 ( 0.610 -8.711 -2.694) 9.138 6.066 ( 0.610 8.711 -2.694) 9.138 6.342 ( -2.451 -9.987 4.511) 11.229 6.342 ( -2.451 9.987 4.511) 11.229 6.497 ( 0.144 -3.211 -0.357) 3.234 6.497 ( 0.144 3.211 -0.357) 3.234 6.634 ( 3.921 -2.079 -3.174) 5.456 6.634 ( 3.921 2.079 -3.174) 5.456 6.695 ( 2.875 -3.668 4.868) 6.739 6.695 ( 2.875 3.668 4.868) 6.739 6.927 ( -2.601 -8.537 -2.283) 9.212 6.927 ( -2.601 8.537 -2.283) 9.212 7.032 ( 5.548 -8.845 1.490) 10.546 7.032 ( 5.548 8.845 1.490) 10.546 7.343 ( 4.962 -2.785 2.314) 6.143 7.343 ( 4.962 2.785 2.314) 6.143 7.614 ( -7.233 -4.827 1.844) 8.890 7.614 ( -7.233 4.827 1.844) 8.890 7.917 ( 1.326 -5.651 -5.471) 7.976 7.917 ( 1.326 5.651 -5.471) 7.976 8.004 ( -1.524 -4.106 -2.302) 4.948 8.004 ( -1.524 4.106 -2.302) 4.948 8.233 ( 0.923 -4.514 1.016) 4.718 8.233 ( 0.923 4.514 1.016) 4.718 8.494 ( -7.116 -7.808 -0.730) 10.589 8.494 ( -7.116 7.808 -0.730) 10.589 8.725 ( 2.061 -3.220 -4.184) 5.667 8.725 ( 2.061 3.220 -4.184) 5.667 8.893 ( 8.001 -8.668 -0.794) 11.823 8.893 ( 8.001 8.668 -0.794) 11.823 9.064 ( 3.713 -1.800 5.115) 6.571 9.064 ( 3.713 1.800 5.115) 6.571 9.244 ( -1.849 -3.094 0.848) 3.703 9.244 ( -1.849 3.094 0.848) 3.703 9.372 ( -1.309 -2.393 0.292) 2.743 9.372 ( -1.309 2.393 0.292) 2.743 9.729 ( -3.482 -2.236 -1.290) 4.334 9.729 ( -3.482 2.236 -1.290) 4.334 10.322 ( -3.082 -1.671 1.719) 3.905 10.322 ( -3.082 1.671 1.719) 3.905 10.488 ( -2.231 -2.266 2.143) 3.835 10.488 ( -2.231 2.266 2.143) 3.835 10.542 ( -1.471 -2.796 -2.547) 4.058 10.542 ( -1.471 2.796 -2.547) 4.058 11.206 ( -0.898 -5.794 1.397) 6.027 11.206 ( -0.898 5.794 1.397) 6.027 11.548 ( 3.458 -5.040 -4.581) 7.639 11.548 ( 3.458 5.040 -4.581) 7.639 11.844 ( -1.328 -2.618 0.080) 2.936 11.844 ( -1.328 2.618 0.080) 2.936 12.568 ( -5.554 -2.883 7.015) 9.400 12.568 ( -5.554 2.883 7.015) 9.400 12.858 ( 6.714 -2.819 -6.244) 9.593 12.858 ( 6.714 2.819 -6.244) 9.593 13.492 ( 2.189 -6.353 0.089) 6.721 13.492 ( 2.189 6.353 0.089) 6.721 13.598 ( 3.863 -4.983 2.787) 6.894 13.598 ( 3.863 4.983 2.787) 6.894 14.347 ( -8.560 -2.283 0.418) 8.869 14.347 ( -8.560 2.283 0.418) 8.869 14.702 ( 8.213 -4.142 -1.943) 9.401 14.702 ( 8.213 4.142 -1.943) 9.401 16.157 ( -2.687 -2.598 0.579) 3.782 16.157 ( -2.687 2.598 0.579) 3.782 16.388 ( -1.001 -0.733 0.535) 1.351 16.388 ( -1.001 0.734 0.535) 1.351 17.340 ( -2.977 -2.144 0.395) 3.690 17.340 ( -2.977 2.144 0.395) 3.690 17.654 ( 9.234 -2.502 -0.360) 9.574 17.654 ( 9.234 2.502 -0.360) 9.574 18.562 ( -2.871 -5.684 -1.432) 6.527 18.562 ( -2.871 5.684 -1.432) 6.527 18.650 ( -0.365 -5.009 0.619) 5.060 18.650 ( -0.365 5.009 0.619) 5.060 19.857 ( 2.678 -2.257 0.661) 3.564 19.857 ( 2.678 2.257 0.661) 3.564 20.312 ( -1.886 -2.792 -0.806) 3.464 20.312 ( -1.886 2.792 -0.806) 3.464 ======================= Grid point 151 (80/80) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -1.580 -1.934 10.495) 10.788 2.595 ( -1.580 1.934 10.495) 10.788 2.995 ( -1.655 -5.232 5.305) 7.632 2.995 ( -1.655 5.232 5.305) 7.632 3.269 ( 6.959 -4.975 -6.276) 10.610 3.269 ( 6.959 4.975 -6.276) 10.610 3.733 ( -14.264 -1.067 -6.683) 15.788 3.733 ( -14.264 1.067 -6.683) 15.788 3.805 ( -5.895 -1.748 -3.833) 7.246 3.805 ( -5.895 1.748 -3.833) 7.246 3.995 ( 3.639 -5.618 -1.467) 6.853 3.995 ( 3.639 5.618 -1.467) 6.853 4.254 ( 9.730 -6.274 -0.448) 11.586 4.254 ( 9.730 6.274 -0.448) 11.586 4.576 ( -2.982 -3.420 -0.156) 4.540 4.576 ( -2.982 3.420 -0.156) 4.540 4.713 ( 6.254 -4.233 3.526) 8.335 4.713 ( 6.254 4.233 3.526) 8.335 4.975 ( 3.258 -1.287 6.475) 7.362 4.975 ( 3.258 1.287 6.475) 7.362 5.047 ( -0.674 -8.732 -1.709) 8.923 5.047 ( -0.674 8.732 -1.709) 8.923 5.266 ( -3.078 -1.375 -4.068) 5.284 5.266 ( -3.078 1.375 -4.068) 5.284 5.442 ( -3.732 -12.122 5.934) 14.002 5.442 ( -3.732 12.122 5.934) 14.002 5.599 ( -0.584 -10.287 1.432) 10.403 5.599 ( -0.584 10.287 1.432) 10.403 5.890 ( 1.808 -6.844 1.670) 7.273 5.890 ( 1.808 6.844 1.670) 7.273 5.983 ( -1.800 -8.773 -4.415) 9.985 5.983 ( -1.800 8.773 -4.415) 9.985 6.290 ( -7.658 -9.208 -1.627) 12.087 6.290 ( -7.658 9.208 -1.627) 12.087 6.446 ( -2.599 -6.739 -3.100) 7.860 6.446 ( -2.599 6.739 -3.100) 7.860 6.643 ( 2.559 -6.134 -0.582) 6.672 6.643 ( 2.559 6.134 -0.582) 6.672 6.867 ( 7.163 -5.956 2.202) 9.573 6.867 ( 7.163 5.956 2.202) 9.573 6.934 ( 2.954 -10.529 5.008) 12.027 6.934 ( 2.954 10.529 5.008) 12.027 7.201 ( 9.123 -7.682 4.939) 12.908 7.201 ( 9.123 7.682 4.939) 12.908 7.412 ( -2.661 -5.623 0.200) 6.224 7.412 ( -2.661 5.623 0.200) 6.224 7.534 ( -0.486 -5.130 4.469) 6.821 7.534 ( -0.486 5.130 4.469) 6.821 7.809 ( -4.606 -7.026 -8.978) 12.296 7.809 ( -4.606 7.026 -8.978) 12.296 7.983 ( 0.465 -6.546 -1.787) 6.801 7.983 ( 0.465 6.546 -1.787) 6.801 8.191 ( -5.854 -5.084 -0.795) 7.794 8.191 ( -5.854 5.084 -0.795) 7.794 8.397 ( -1.509 -9.027 -3.933) 9.962 8.397 ( -1.509 9.027 -3.933) 9.962 8.682 ( 1.768 -1.680 -9.122) 9.443 8.682 ( 1.768 1.680 -9.122) 9.443 9.008 ( 2.445 -4.934 0.681) 5.548 9.008 ( 2.445 4.934 0.681) 5.548 9.106 ( -3.302 -4.109 2.523) 5.844 9.106 ( -3.302 4.109 2.523) 5.844 9.245 ( 3.269 -2.931 1.506) 4.641 9.245 ( 3.269 2.931 1.506) 4.641 9.453 ( 4.223 -2.693 5.815) 7.674 9.453 ( 4.223 2.693 5.815) 7.674 9.656 ( -2.049 -0.466 -0.964) 2.312 9.656 ( -2.049 0.466 -0.963) 2.312 10.286 ( -2.043 -3.746 2.118) 4.764 10.286 ( -2.043 3.746 2.118) 4.764 10.460 ( -3.191 -1.584 -0.816) 3.654 10.460 ( -3.191 1.584 -0.816) 3.654 10.490 ( -1.191 -3.205 1.183) 3.618 10.490 ( -1.191 3.205 1.183) 3.618 11.123 ( -6.636 -6.457 -3.203) 9.797 11.123 ( -6.636 6.457 -3.203) 9.797 11.620 ( 6.364 -2.584 0.174) 6.871 11.620 ( 6.364 2.584 0.174) 6.871 11.850 ( 1.577 -1.011 0.162) 1.880 11.850 ( 1.577 1.011 0.162) 1.880 12.547 ( -3.074 -3.764 6.214) 7.888 12.547 ( -3.074 3.764 6.214) 7.888 12.860 ( 0.596 -3.443 -8.395) 9.093 12.860 ( 0.596 3.443 -8.395) 9.093 13.544 ( 2.892 -7.844 1.394) 8.476 13.544 ( 2.892 7.844 1.394) 8.476 13.733 ( 4.383 -7.841 4.415) 10.009 13.733 ( 4.383 7.841 4.415) 10.009 14.265 ( -0.989 -3.657 3.859) 5.408 14.265 ( -0.989 3.657 3.859) 5.408 14.748 ( 0.589 -4.398 -6.824) 8.140 14.748 ( 0.589 4.398 -6.824) 8.140 16.140 ( 0.028 -1.318 2.743) 3.043 16.140 ( 0.028 1.318 2.743) 3.043 16.352 ( -2.891 -0.902 -0.903) 3.160 16.352 ( -2.891 0.902 -0.903) 3.160 17.305 ( -1.361 -1.307 0.629) 1.989 17.305 ( -1.361 1.307 0.629) 1.989 17.840 ( 9.934 -2.675 0.732) 10.314 17.840 ( 9.934 2.675 0.732) 10.314 18.479 ( -4.202 -6.315 -2.298) 7.926 18.479 ( -4.202 6.315 -2.298) 7.926 18.634 ( -1.482 -3.204 0.306) 3.543 18.634 ( -1.482 3.204 0.306) 3.543 19.940 ( 4.911 -3.372 1.716) 6.200 19.940 ( 4.911 3.372 1.716) 6.200 20.245 ( -3.943 -4.272 -1.895) 6.115 20.245 ( -3.943 4.272 -1.895) 6.115 =================== 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 3/25920 10.0 1344.940 686.282 841.017 0.000 86.367 0.000 3/25920 20.0 538.771 331.932 442.893 0.000 52.126 0.000 3/25920 30.0 177.182 132.177 166.397 0.000 21.950 0.000 3/25920 40.0 82.826 65.206 80.606 0.000 10.881 0.000 3/25920 50.0 47.910 38.642 47.430 0.000 6.248 0.000 3/25920 60.0 31.690 25.930 31.658 0.000 4.018 0.000 3/25920 70.0 22.927 18.946 23.019 0.000 2.809 0.000 3/25920 80.0 17.661 14.702 17.783 0.000 2.090 0.000 3/25920 90.0 14.236 11.919 14.357 0.000 1.632 0.000 3/25920 100.0 11.869 9.982 11.982 0.000 1.321 0.000 3/25920 110.0 10.154 8.571 10.256 0.000 1.102 0.000 3/25920 120.0 8.863 7.504 8.954 0.000 0.940 0.000 3/25920 130.0 7.861 6.671 7.943 0.000 0.817 0.000 3/25920 140.0 7.063 6.005 7.136 0.000 0.720 0.000 3/25920 150.0 6.414 5.461 6.479 0.000 0.643 0.000 3/25920 160.0 5.877 5.009 5.934 0.000 0.581 0.000 3/25920 170.0 5.425 4.628 5.476 0.000 0.529 0.000 3/25920 180.0 5.040 4.302 5.085 0.000 0.485 0.000 3/25920 190.0 4.708 4.021 4.748 0.000 0.448 0.000 3/25920 200.0 4.418 3.775 4.454 0.000 0.416 0.000 3/25920 210.0 4.164 3.558 4.196 0.000 0.388 0.000 3/25920 220.0 3.938 3.366 3.967 0.000 0.363 0.000 3/25920 230.0 3.737 3.194 3.762 0.000 0.342 0.000 3/25920 240.0 3.556 3.040 3.579 0.000 0.323 0.000 3/25920 250.0 3.393 2.900 3.413 0.000 0.306 0.000 3/25920 260.0 3.245 2.773 3.262 0.000 0.290 0.000 3/25920 270.0 3.109 2.657 3.125 0.000 0.276 0.000 3/25920 280.0 2.985 2.551 2.999 0.000 0.264 0.000 3/25920 290.0 2.871 2.453 2.883 0.000 0.252 0.000 3/25920 300.0 2.766 2.363 2.776 0.000 0.241 0.000 3/25920 310.0 2.668 2.279 2.678 0.000 0.232 0.000 3/25920 320.0 2.578 2.202 2.586 0.000 0.223 0.000 3/25920 330.0 2.493 2.129 2.500 0.000 0.214 0.000 3/25920 340.0 2.414 2.061 2.420 0.000 0.207 0.000 3/25920 350.0 2.340 1.998 2.345 0.000 0.200 0.000 3/25920 360.0 2.271 1.939 2.275 0.000 0.193 0.000 3/25920 370.0 2.206 1.883 2.209 0.000 0.187 0.000 3/25920 380.0 2.144 1.830 2.147 0.000 0.181 0.000 3/25920 390.0 2.086 1.780 2.088 0.000 0.175 0.000 3/25920 400.0 2.031 1.733 2.033 0.000 0.170 0.000 3/25920 410.0 1.979 1.688 1.980 0.000 0.165 0.000 3/25920 420.0 1.930 1.646 1.931 0.000 0.161 0.000 3/25920 430.0 1.883 1.606 1.883 0.000 0.157 0.000 3/25920 440.0 1.838 1.568 1.838 0.000 0.153 0.000 3/25920 450.0 1.796 1.531 1.795 0.000 0.149 0.000 3/25920 460.0 1.755 1.497 1.755 0.000 0.145 0.000 3/25920 470.0 1.717 1.463 1.716 0.000 0.141 0.000 3/25920 480.0 1.680 1.432 1.678 0.000 0.138 0.000 3/25920 490.0 1.644 1.401 1.643 0.000 0.135 0.000 3/25920 500.0 1.610 1.372 1.609 0.000 0.132 0.000 3/25920 510.0 1.578 1.345 1.576 0.000 0.129 0.000 3/25920 520.0 1.547 1.318 1.544 0.000 0.126 0.000 3/25920 530.0 1.517 1.292 1.514 0.000 0.124 0.000 3/25920 540.0 1.488 1.268 1.485 0.000 0.121 0.000 3/25920 550.0 1.460 1.244 1.458 0.000 0.119 0.000 3/25920 560.0 1.433 1.221 1.431 0.000 0.116 0.000 3/25920 570.0 1.408 1.199 1.405 0.000 0.114 0.000 3/25920 580.0 1.383 1.178 1.380 0.000 0.112 0.000 3/25920 590.0 1.359 1.157 1.356 0.000 0.110 0.000 3/25920 600.0 1.336 1.138 1.333 0.000 0.108 0.000 3/25920 610.0 1.313 1.118 1.310 0.000 0.106 0.000 3/25920 620.0 1.292 1.100 1.289 0.000 0.104 0.000 3/25920 630.0 1.271 1.082 1.268 0.000 0.102 0.000 3/25920 640.0 1.251 1.065 1.247 0.000 0.101 0.000 3/25920 650.0 1.231 1.048 1.228 0.000 0.099 0.000 3/25920 660.0 1.212 1.032 1.209 0.000 0.097 0.000 3/25920 670.0 1.194 1.016 1.190 0.000 0.096 0.000 3/25920 680.0 1.176 1.001 1.173 0.000 0.094 0.000 3/25920 690.0 1.159 0.986 1.155 0.000 0.093 0.000 3/25920 700.0 1.142 0.972 1.138 0.000 0.091 0.000 3/25920 710.0 1.125 0.958 1.122 0.000 0.090 0.000 3/25920 720.0 1.110 0.945 1.106 0.000 0.089 0.000 3/25920 730.0 1.094 0.931 1.091 0.000 0.087 0.000 3/25920 740.0 1.079 0.919 1.076 0.000 0.086 0.000 3/25920 750.0 1.065 0.906 1.061 0.000 0.085 0.000 3/25920 760.0 1.050 0.894 1.047 0.000 0.084 0.000 3/25920 770.0 1.037 0.882 1.033 0.000 0.083 0.000 3/25920 780.0 1.023 0.871 1.020 0.000 0.082 0.000 3/25920 790.0 1.010 0.860 1.007 0.000 0.080 0.000 3/25920 800.0 0.997 0.849 0.994 0.000 0.079 0.000 3/25920 810.0 0.985 0.838 0.982 0.000 0.078 0.000 3/25920 820.0 0.973 0.828 0.969 0.000 0.077 0.000 3/25920 830.0 0.961 0.818 0.958 0.000 0.076 0.000 3/25920 840.0 0.949 0.808 0.946 0.000 0.075 0.000 3/25920 850.0 0.938 0.798 0.935 0.000 0.075 0.000 3/25920 860.0 0.927 0.789 0.924 0.000 0.074 0.000 3/25920 870.0 0.916 0.780 0.913 0.000 0.073 0.000 3/25920 880.0 0.906 0.771 0.903 0.000 0.072 0.000 3/25920 890.0 0.896 0.762 0.892 0.000 0.071 0.000 3/25920 900.0 0.886 0.754 0.882 0.000 0.070 0.000 3/25920 910.0 0.876 0.745 0.872 0.000 0.069 0.000 3/25920 920.0 0.866 0.737 0.863 0.000 0.069 0.000 3/25920 930.0 0.857 0.729 0.854 0.000 0.068 0.000 3/25920 940.0 0.848 0.721 0.844 0.000 0.067 0.000 3/25920 950.0 0.839 0.714 0.835 0.000 0.066 0.000 3/25920 960.0 0.830 0.706 0.827 0.000 0.066 0.000 3/25920 970.0 0.821 0.699 0.818 0.000 0.065 0.000 3/25920 980.0 0.813 0.691 0.810 0.000 0.064 0.000 3/25920 990.0 0.805 0.684 0.801 0.000 0.064 0.000 3/25920 1000.0 0.796 0.678 0.793 0.000 0.063 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|