----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:04:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.832110344518977 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): *1 Tl 0.20450976470425 0.01284811641374 0.48217688196216 204.383 *2 Tl 0.78991174124768 0.88756499293795 0.88540104439265 204.383 *3 Tl 0.84509958295873 0.25267658829592 0.27500859514102 204.383 4 Tl 0.79549023529575 0.51284811641374 0.01782311803784 204.383 5 Tl 0.20450976470425 0.48715188358626 0.98217688196216 204.383 6 Tl 0.79549023529575 0.98715188358626 0.51782311803784 204.383 7 Tl 0.78991174124768 0.61243500706205 0.38540104439264 204.383 8 Tl 0.21008825875232 0.38756499293795 0.61459895560735 204.383 9 Tl 0.15490041704127 0.75267658829592 0.22499140485898 204.383 10 Tl 0.15490041704127 0.74732341170408 0.72499140485898 204.383 11 Tl 0.84509958295873 0.24732341170408 0.77500859514102 204.383 12 Tl 0.21008825875232 0.11243500706205 0.11459895560735 204.383 *13 Ag 0.46026471646500 0.37013584019408 0.54961618765021 107.868 14 Ag 0.46026471646500 0.12986415980592 0.04961618765021 107.868 15 Ag 0.53973528353500 0.87013584019408 0.95038381234979 107.868 *16 Ag 0.12066256616033 0.65942526153780 0.43359005822341 107.868 *17 Ag 0.53514038371765 0.64323398653167 0.07393628067402 107.868 18 Ag 0.87933743383967 0.15942526153780 0.06640994177659 107.868 19 Ag 0.12066256616033 0.84057473846220 0.93359005822341 107.868 20 Ag 0.53973528353500 0.62986415980592 0.45038381234979 107.868 21 Ag 0.46485961628235 0.35676601346833 0.92606371932598 107.868 22 Ag 0.87933743383967 0.34057473846220 0.56640994177659 107.868 23 Ag 0.46485961628235 0.14323398653167 0.42606371932598 107.868 24 Ag 0.53514038371765 0.85676601346833 0.57393628067402 107.868 *25 As 0.16373846901753 0.09317959989136 0.75683744003210 74.922 26 As 0.16373846901753 0.40682040010864 0.25683744003210 74.922 *27 As 0.50112190649486 0.85608473499493 0.24523487616233 74.922 28 As 0.83626153098247 0.59317959989136 0.74316255996790 74.922 29 As 0.50112190649486 0.64391526500507 0.74523487616232 74.922 30 As 0.49887809350514 0.14391526500507 0.75476512383768 74.922 31 As 0.49887809350514 0.35608473499493 0.25476512383768 74.922 32 As 0.83626153098247 0.90682040010864 0.24316255996790 74.922 *33 S 0.00652673977843 0.17302443175050 0.55616471878103 32.065 *34 S 0.62004405131588 0.42779788046382 0.15867330445445 32.065 *35 S 0.24645431068571 0.24796642933744 0.88931835855314 32.065 *36 S 0.36693333373163 0.58128764104161 0.53403388126311 32.065 *37 S 0.58062864791580 0.17591150030635 0.28870582301619 32.065 *38 S 0.00413375180066 0.02530865900628 0.81151264636337 32.065 39 S 0.75354568931429 0.74796642933744 0.61068164144686 32.065 40 S 0.99586624819934 0.97469134099372 0.18848735363663 32.065 41 S 0.00413375180066 0.47469134099372 0.31151264636337 32.065 42 S 0.75354568931429 0.75203357066256 0.11068164144686 32.065 43 S 0.62004405131588 0.07220211953618 0.65867330445445 32.065 44 S 0.58062864791580 0.32408849969365 0.78870582301619 32.065 45 S 0.37995594868413 0.57220211953618 0.84132669554555 32.065 46 S 0.00652673977843 0.32697556824950 0.05616471878102 32.065 47 S 0.99347326022157 0.82697556824950 0.44383528121897 32.065 48 S 0.99586624819934 0.52530865900628 0.68848735363663 32.065 49 S 0.63306666626837 0.41871235895839 0.46596611873689 32.065 50 S 0.41937135208420 0.82408849969366 0.71129417698381 32.065 51 S 0.99347326022157 0.67302443175050 0.94383528121897 32.065 52 S 0.37995594868413 0.92779788046382 0.34132669554555 32.065 53 S 0.63306666626837 0.08128764104161 0.96596611873689 32.065 54 S 0.24645431068571 0.25203357066256 0.38931835855314 32.065 55 S 0.41937135208420 0.67591150030634 0.21129417698381 32.065 56 S 0.36693333373163 0.91871235895839 0.03403388126311 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.832110344518977 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): *1 Tl 0.20450976470425 0.01284811641374 0.48217688196216 204.383 > 1 *2 Tl 0.78991174124768 0.88756499293795 0.88540104439265 204.383 > 2 *3 Tl 0.84509958295873 0.25267658829592 0.27500859514102 204.383 > 3 4 Tl 0.79549023529575 0.51284811641374 0.01782311803784 204.383 > 4 5 Tl 0.20450976470425 0.48715188358626 0.98217688196216 204.383 > 5 6 Tl 0.79549023529575 0.98715188358626 0.51782311803784 204.383 > 6 7 Tl 0.78991174124768 0.61243500706205 0.38540104439264 204.383 > 7 8 Tl 0.21008825875232 0.38756499293795 0.61459895560735 204.383 > 8 9 Tl 0.15490041704127 0.75267658829592 0.22499140485898 204.383 > 9 10 Tl 0.15490041704127 0.74732341170408 0.72499140485898 204.383 > 10 11 Tl 0.84509958295873 0.24732341170408 0.77500859514102 204.383 > 11 12 Tl 0.21008825875232 0.11243500706205 0.11459895560735 204.383 > 12 *13 Ag 0.46026471646500 0.37013584019408 0.54961618765021 107.868 > 13 14 Ag 0.46026471646500 0.12986415980592 0.04961618765021 107.868 > 14 15 Ag 0.53973528353500 0.87013584019408 0.95038381234979 107.868 > 15 *16 Ag 0.12066256616033 0.65942526153780 0.43359005822341 107.868 > 16 *17 Ag 0.53514038371765 0.64323398653167 0.07393628067402 107.868 > 17 18 Ag 0.87933743383967 0.15942526153780 0.06640994177659 107.868 > 18 19 Ag 0.12066256616033 0.84057473846220 0.93359005822341 107.868 > 19 20 Ag 0.53973528353500 0.62986415980592 0.45038381234979 107.868 > 20 21 Ag 0.46485961628235 0.35676601346833 0.92606371932598 107.868 > 21 22 Ag 0.87933743383967 0.34057473846220 0.56640994177659 107.868 > 22 23 Ag 0.46485961628235 0.14323398653167 0.42606371932598 107.868 > 23 24 Ag 0.53514038371765 0.85676601346833 0.57393628067402 107.868 > 24 *25 As 0.16373846901753 0.09317959989136 0.75683744003210 74.922 > 25 26 As 0.16373846901753 0.40682040010864 0.25683744003210 74.922 > 26 *27 As 0.50112190649486 0.85608473499493 0.24523487616233 74.922 > 27 28 As 0.83626153098247 0.59317959989136 0.74316255996790 74.922 > 28 29 As 0.50112190649486 0.64391526500507 0.74523487616232 74.922 > 29 30 As 0.49887809350514 0.14391526500507 0.75476512383768 74.922 > 30 31 As 0.49887809350514 0.35608473499493 0.25476512383768 74.922 > 31 32 As 0.83626153098247 0.90682040010864 0.24316255996790 74.922 > 32 *33 S 0.00652673977843 0.17302443175050 0.55616471878103 32.065 > 33 *34 S 0.62004405131588 0.42779788046382 0.15867330445445 32.065 > 34 *35 S 0.24645431068571 0.24796642933744 0.88931835855314 32.065 > 35 *36 S 0.36693333373163 0.58128764104161 0.53403388126311 32.065 > 36 *37 S 0.58062864791580 0.17591150030635 0.28870582301619 32.065 > 37 *38 S 0.00413375180066 0.02530865900628 0.81151264636337 32.065 > 38 39 S 0.75354568931429 0.74796642933744 0.61068164144686 32.065 > 39 40 S 0.99586624819934 0.97469134099372 0.18848735363663 32.065 > 40 41 S 0.00413375180066 0.47469134099372 0.31151264636337 32.065 > 41 42 S 0.75354568931429 0.75203357066256 0.11068164144686 32.065 > 42 43 S 0.62004405131588 0.07220211953618 0.65867330445445 32.065 > 43 44 S 0.58062864791580 0.32408849969365 0.78870582301619 32.065 > 44 45 S 0.37995594868413 0.57220211953618 0.84132669554555 32.065 > 45 46 S 0.00652673977843 0.32697556824950 0.05616471878102 32.065 > 46 47 S 0.99347326022157 0.82697556824950 0.44383528121897 32.065 > 47 48 S 0.99586624819934 0.52530865900628 0.68848735363663 32.065 > 48 49 S 0.63306666626837 0.41871235895839 0.46596611873689 32.065 > 49 50 S 0.41937135208420 0.82408849969366 0.71129417698381 32.065 > 50 51 S 0.99347326022157 0.67302443175050 0.94383528121897 32.065 > 51 52 S 0.37995594868413 0.92779788046382 0.34132669554555 32.065 > 52 53 S 0.63306666626837 0.08128764104161 0.96596611873689 32.065 > 53 54 S 0.24645431068571 0.25203357066256 0.38931835855314 32.065 > 54 55 S 0.41937135208420 0.67591150030634 0.21129417698381 32.065 > 55 56 S 0.36693333373163 0.91871235895839 0.03403388126311 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.664220689037954 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): *1 Tl 0.10225488235212 0.01284811641374 0.48217688196216 204.383 > 1 2 Tl 0.60225488235212 0.01284811641374 0.48217688196216 204.383 > 1 *3 Tl 0.39495587062384 0.88756499293795 0.88540104439265 204.383 > 2 4 Tl 0.89495587062384 0.88756499293795 0.88540104439265 204.383 > 2 *5 Tl 0.42254979147936 0.25267658829592 0.27500859514102 204.383 > 3 6 Tl 0.92254979147936 0.25267658829592 0.27500859514102 204.383 > 3 7 Tl 0.39774511764788 0.51284811641374 0.01782311803784 204.383 > 4 8 Tl 0.89774511764788 0.51284811641374 0.01782311803784 204.383 > 4 9 Tl 0.10225488235212 0.48715188358626 0.98217688196216 204.383 > 5 10 Tl 0.60225488235212 0.48715188358626 0.98217688196216 204.383 > 5 11 Tl 0.39774511764788 0.98715188358626 0.51782311803784 204.383 > 6 12 Tl 0.89774511764788 0.98715188358626 0.51782311803784 204.383 > 6 13 Tl 0.39495587062384 0.61243500706205 0.38540104439264 204.383 > 7 14 Tl 0.89495587062384 0.61243500706205 0.38540104439264 204.383 > 7 15 Tl 0.10504412937616 0.38756499293795 0.61459895560735 204.383 > 8 16 Tl 0.60504412937616 0.38756499293795 0.61459895560735 204.383 > 8 17 Tl 0.07745020852064 0.75267658829592 0.22499140485898 204.383 > 9 18 Tl 0.57745020852064 0.75267658829592 0.22499140485898 204.383 > 9 19 Tl 0.07745020852064 0.74732341170408 0.72499140485898 204.383 > 10 20 Tl 0.57745020852064 0.74732341170408 0.72499140485898 204.383 > 10 21 Tl 0.42254979147936 0.24732341170408 0.77500859514102 204.383 > 11 22 Tl 0.92254979147936 0.24732341170408 0.77500859514102 204.383 > 11 23 Tl 0.10504412937616 0.11243500706205 0.11459895560735 204.383 > 12 24 Tl 0.60504412937616 0.11243500706205 0.11459895560735 204.383 > 12 *25 Ag 0.23013235823250 0.37013584019408 0.54961618765021 107.868 > 13 26 Ag 0.73013235823250 0.37013584019408 0.54961618765021 107.868 > 13 27 Ag 0.23013235823250 0.12986415980592 0.04961618765021 107.868 > 14 28 Ag 0.73013235823250 0.12986415980592 0.04961618765021 107.868 > 14 29 Ag 0.26986764176750 0.87013584019408 0.95038381234979 107.868 > 15 30 Ag 0.76986764176750 0.87013584019408 0.95038381234979 107.868 > 15 *31 Ag 0.06033128308017 0.65942526153780 0.43359005822341 107.868 > 16 32 Ag 0.56033128308017 0.65942526153780 0.43359005822341 107.868 > 16 *33 Ag 0.26757019185882 0.64323398653167 0.07393628067402 107.868 > 17 34 Ag 0.76757019185882 0.64323398653167 0.07393628067402 107.868 > 17 35 Ag 0.43966871691983 0.15942526153780 0.06640994177659 107.868 > 18 36 Ag 0.93966871691983 0.15942526153780 0.06640994177659 107.868 > 18 37 Ag 0.06033128308017 0.84057473846220 0.93359005822341 107.868 > 19 38 Ag 0.56033128308017 0.84057473846220 0.93359005822341 107.868 > 19 39 Ag 0.26986764176750 0.62986415980592 0.45038381234979 107.868 > 20 40 Ag 0.76986764176750 0.62986415980592 0.45038381234979 107.868 > 20 41 Ag 0.23242980814118 0.35676601346833 0.92606371932598 107.868 > 21 42 Ag 0.73242980814118 0.35676601346833 0.92606371932598 107.868 > 21 43 Ag 0.43966871691983 0.34057473846220 0.56640994177659 107.868 > 22 44 Ag 0.93966871691983 0.34057473846220 0.56640994177659 107.868 > 22 45 Ag 0.23242980814118 0.14323398653167 0.42606371932598 107.868 > 23 46 Ag 0.73242980814118 0.14323398653167 0.42606371932598 107.868 > 23 47 Ag 0.26757019185882 0.85676601346833 0.57393628067402 107.868 > 24 48 Ag 0.76757019185882 0.85676601346833 0.57393628067402 107.868 > 24 *49 As 0.08186923450877 0.09317959989136 0.75683744003210 74.922 > 25 50 As 0.58186923450877 0.09317959989136 0.75683744003210 74.922 > 25 51 As 0.08186923450877 0.40682040010864 0.25683744003210 74.922 > 26 52 As 0.58186923450877 0.40682040010864 0.25683744003210 74.922 > 26 *53 As 0.25056095324743 0.85608473499493 0.24523487616233 74.922 > 27 54 As 0.75056095324743 0.85608473499493 0.24523487616233 74.922 > 27 55 As 0.41813076549123 0.59317959989136 0.74316255996790 74.922 > 28 56 As 0.91813076549123 0.59317959989136 0.74316255996790 74.922 > 28 57 As 0.25056095324743 0.64391526500507 0.74523487616232 74.922 > 29 58 As 0.75056095324743 0.64391526500507 0.74523487616232 74.922 > 29 59 As 0.24943904675257 0.14391526500507 0.75476512383768 74.922 > 30 60 As 0.74943904675257 0.14391526500507 0.75476512383768 74.922 > 30 61 As 0.24943904675257 0.35608473499493 0.25476512383768 74.922 > 31 62 As 0.74943904675257 0.35608473499493 0.25476512383768 74.922 > 31 63 As 0.41813076549123 0.90682040010864 0.24316255996790 74.922 > 32 64 As 0.91813076549123 0.90682040010864 0.24316255996790 74.922 > 32 *65 S 0.00326336988922 0.17302443175050 0.55616471878103 32.065 > 33 66 S 0.50326336988922 0.17302443175050 0.55616471878103 32.065 > 33 *67 S 0.31002202565794 0.42779788046382 0.15867330445445 32.065 > 34 68 S 0.81002202565794 0.42779788046382 0.15867330445445 32.065 > 34 *69 S 0.12322715534285 0.24796642933744 0.88931835855314 32.065 > 35 70 S 0.62322715534285 0.24796642933744 0.88931835855314 32.065 > 35 *71 S 0.18346666686581 0.58128764104161 0.53403388126311 32.065 > 36 72 S 0.68346666686581 0.58128764104161 0.53403388126311 32.065 > 36 *73 S 0.29031432395790 0.17591150030635 0.28870582301619 32.065 > 37 74 S 0.79031432395790 0.17591150030635 0.28870582301619 32.065 > 37 *75 S 0.00206687590033 0.02530865900628 0.81151264636337 32.065 > 38 76 S 0.50206687590033 0.02530865900628 0.81151264636337 32.065 > 38 77 S 0.37677284465715 0.74796642933744 0.61068164144686 32.065 > 39 78 S 0.87677284465715 0.74796642933744 0.61068164144686 32.065 > 39 79 S 0.49793312409967 0.97469134099372 0.18848735363663 32.065 > 40 80 S 0.99793312409967 0.97469134099372 0.18848735363663 32.065 > 40 81 S 0.00206687590033 0.47469134099372 0.31151264636337 32.065 > 41 82 S 0.50206687590033 0.47469134099372 0.31151264636337 32.065 > 41 83 S 0.37677284465715 0.75203357066256 0.11068164144686 32.065 > 42 84 S 0.87677284465715 0.75203357066256 0.11068164144686 32.065 > 42 85 S 0.31002202565794 0.07220211953618 0.65867330445445 32.065 > 43 86 S 0.81002202565794 0.07220211953618 0.65867330445445 32.065 > 43 87 S 0.29031432395790 0.32408849969365 0.78870582301619 32.065 > 44 88 S 0.79031432395790 0.32408849969365 0.78870582301619 32.065 > 44 89 S 0.18997797434206 0.57220211953618 0.84132669554555 32.065 > 45 90 S 0.68997797434206 0.57220211953618 0.84132669554555 32.065 > 45 91 S 0.00326336988922 0.32697556824950 0.05616471878102 32.065 > 46 92 S 0.50326336988922 0.32697556824950 0.05616471878102 32.065 > 46 93 S 0.49673663011079 0.82697556824950 0.44383528121897 32.065 > 47 94 S 0.99673663011078 0.82697556824950 0.44383528121897 32.065 > 47 95 S 0.49793312409967 0.52530865900628 0.68848735363663 32.065 > 48 96 S 0.99793312409967 0.52530865900628 0.68848735363663 32.065 > 48 97 S 0.31653333313419 0.41871235895839 0.46596611873689 32.065 > 49 98 S 0.81653333313419 0.41871235895839 0.46596611873689 32.065 > 49 99 S 0.20968567604210 0.82408849969366 0.71129417698381 32.065 > 50 100 S 0.70968567604210 0.82408849969366 0.71129417698381 32.065 > 50 101 S 0.49673663011079 0.67302443175050 0.94383528121897 32.065 > 51 102 S 0.99673663011078 0.67302443175050 0.94383528121897 32.065 > 51 103 S 0.18997797434206 0.92779788046382 0.34132669554555 32.065 > 52 104 S 0.68997797434206 0.92779788046382 0.34132669554555 32.065 > 52 105 S 0.31653333313419 0.08128764104161 0.96596611873689 32.065 > 53 106 S 0.81653333313419 0.08128764104161 0.96596611873689 32.065 > 53 107 S 0.12322715534285 0.25203357066256 0.38931835855314 32.065 > 54 108 S 0.62322715534285 0.25203357066256 0.38931835855314 32.065 > 54 109 S 0.20968567604210 0.67591150030634 0.21129417698381 32.065 > 55 110 S 0.70968567604210 0.67591150030634 0.21129417698381 32.065 > 55 111 S 0.18346666686581 0.91871235895839 0.03403388126311 32.065 > 56 112 S 0.68346666686581 0.91871235895839 0.03403388126311 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0161016 0.0000000 -0.3494995 0.0000000 10.1252247 0.0000000 -0.3495037 0.0000000 10.6637025 -------------------------- Born effective charges -------------------------- 1 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 2 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 3 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 4 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 5 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 6 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 7 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 8 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 9 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 10 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 11 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 12 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 13 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 14 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 15 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 16 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 17 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 18 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 19 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 20 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 21 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 22 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 23 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 24 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 25 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 26 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 27 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 28 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 29 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 30 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 31 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 32 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 33 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 34 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 35 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 36 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 37 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 38 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 39 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 40 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 41 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 42 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 43 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 44 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 45 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 46 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 47 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 48 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 49 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 50 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 51 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 52 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 53 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 54 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 55 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 56 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 544), data: False |-- (568, 29), data: (568, 53) @ (53, 29) |-- (68, 58), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 544), data: False |-- (568, 29), data: (568, 53) @ (53, 29) |-- (68, 58), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.926 Solver_block: 200 / 1680 - Time: 1.670 Solver_block: 300 / 1680 - Time: 1.674 Solver_block: 400 / 1680 - Time: 1.673 Solver_block: 500 / 1680 - Time: 1.673 Solver_block: 600 / 1680 - Time: 1.676 Solver_block: 700 / 1680 - Time: 1.674 Solver_block: 800 / 1680 - Time: 1.673 Solver_block: 900 / 1680 - Time: 1.672 Solver_block: 1000 / 1680 - Time: 1.673 Solver_block: 1100 / 1680 - Time: 1.674 Solver_block: 1200 / 1680 - Time: 1.675 Solver_block: 1300 / 1680 - Time: 1.672 Solver_block: 1400 / 1680 - Time: 1.675 Solver_block: 1500 / 1680 - Time: 1.672 Solver_block: 1600 / 1680 - Time: 1.675 Solver_block: 1680 / 1680 - Time: 1.387 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.218 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (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: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 544), data: False |-- (568, 29), data: (568, 53) @ (53, 29) |-- (68, 58), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 544), data: False |-- (568, 29), data: (568, 53) @ (53, 29) |-- (68, 58), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 473), data: False |-- (500, 21), data: (500, 48) @ (48, 21) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:05:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:05:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.832110344518977 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): 1 Tl 0.20450976470425 0.01284811641374 0.48217688196216 204.383 2 Tl 0.78991174124768 0.88756499293795 0.88540104439265 204.383 3 Tl 0.84509958295873 0.25267658829592 0.27500859514102 204.383 4 Tl 0.79549023529575 0.51284811641374 0.01782311803784 204.383 5 Tl 0.20450976470425 0.48715188358626 0.98217688196216 204.383 6 Tl 0.79549023529575 0.98715188358626 0.51782311803784 204.383 7 Tl 0.78991174124768 0.61243500706205 0.38540104439264 204.383 8 Tl 0.21008825875232 0.38756499293795 0.61459895560735 204.383 9 Tl 0.15490041704127 0.75267658829592 0.22499140485898 204.383 10 Tl 0.15490041704127 0.74732341170408 0.72499140485898 204.383 11 Tl 0.84509958295873 0.24732341170408 0.77500859514102 204.383 12 Tl 0.21008825875232 0.11243500706205 0.11459895560735 204.383 13 Ag 0.46026471646500 0.37013584019408 0.54961618765021 107.868 14 Ag 0.46026471646500 0.12986415980592 0.04961618765021 107.868 15 Ag 0.53973528353500 0.87013584019408 0.95038381234979 107.868 16 Ag 0.12066256616033 0.65942526153780 0.43359005822341 107.868 17 Ag 0.53514038371765 0.64323398653167 0.07393628067402 107.868 18 Ag 0.87933743383967 0.15942526153780 0.06640994177659 107.868 19 Ag 0.12066256616033 0.84057473846220 0.93359005822341 107.868 20 Ag 0.53973528353500 0.62986415980592 0.45038381234979 107.868 21 Ag 0.46485961628235 0.35676601346833 0.92606371932598 107.868 22 Ag 0.87933743383967 0.34057473846220 0.56640994177659 107.868 23 Ag 0.46485961628235 0.14323398653167 0.42606371932598 107.868 24 Ag 0.53514038371765 0.85676601346833 0.57393628067402 107.868 25 As 0.16373846901753 0.09317959989136 0.75683744003210 74.922 26 As 0.16373846901753 0.40682040010864 0.25683744003210 74.922 27 As 0.50112190649486 0.85608473499493 0.24523487616233 74.922 28 As 0.83626153098247 0.59317959989136 0.74316255996790 74.922 29 As 0.50112190649486 0.64391526500507 0.74523487616232 74.922 30 As 0.49887809350514 0.14391526500507 0.75476512383768 74.922 31 As 0.49887809350514 0.35608473499493 0.25476512383768 74.922 32 As 0.83626153098247 0.90682040010864 0.24316255996790 74.922 33 S 0.00652673977843 0.17302443175050 0.55616471878103 32.065 34 S 0.62004405131588 0.42779788046382 0.15867330445445 32.065 35 S 0.24645431068571 0.24796642933744 0.88931835855314 32.065 36 S 0.36693333373163 0.58128764104161 0.53403388126311 32.065 37 S 0.58062864791580 0.17591150030635 0.28870582301619 32.065 38 S 0.00413375180066 0.02530865900628 0.81151264636337 32.065 39 S 0.75354568931429 0.74796642933744 0.61068164144686 32.065 40 S 0.99586624819934 0.97469134099372 0.18848735363663 32.065 41 S 0.00413375180066 0.47469134099372 0.31151264636337 32.065 42 S 0.75354568931429 0.75203357066256 0.11068164144686 32.065 43 S 0.62004405131588 0.07220211953618 0.65867330445445 32.065 44 S 0.58062864791580 0.32408849969365 0.78870582301619 32.065 45 S 0.37995594868413 0.57220211953618 0.84132669554555 32.065 46 S 0.00652673977843 0.32697556824950 0.05616471878102 32.065 47 S 0.99347326022157 0.82697556824950 0.44383528121897 32.065 48 S 0.99586624819934 0.52530865900628 0.68848735363663 32.065 49 S 0.63306666626837 0.41871235895839 0.46596611873689 32.065 50 S 0.41937135208420 0.82408849969366 0.71129417698381 32.065 51 S 0.99347326022157 0.67302443175050 0.94383528121897 32.065 52 S 0.37995594868413 0.92779788046382 0.34132669554555 32.065 53 S 0.63306666626837 0.08128764104161 0.96596611873689 32.065 54 S 0.24645431068571 0.25203357066256 0.38931835855314 32.065 55 S 0.41937135208420 0.67591150030634 0.21129417698381 32.065 56 S 0.36693333373163 0.91871235895839 0.03403388126311 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.664220689037954 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): 1 Tl 0.10225488235212 0.01284811641374 0.48217688196216 204.383 > 1 2 Tl 0.60225488235212 0.01284811641374 0.48217688196216 204.383 > 1 3 Tl 0.39495587062384 0.88756499293795 0.88540104439265 204.383 > 3 4 Tl 0.89495587062384 0.88756499293795 0.88540104439265 204.383 > 3 5 Tl 0.42254979147936 0.25267658829592 0.27500859514102 204.383 > 5 6 Tl 0.92254979147936 0.25267658829592 0.27500859514102 204.383 > 5 7 Tl 0.39774511764788 0.51284811641374 0.01782311803784 204.383 > 7 8 Tl 0.89774511764788 0.51284811641374 0.01782311803784 204.383 > 7 9 Tl 0.10225488235212 0.48715188358626 0.98217688196216 204.383 > 9 10 Tl 0.60225488235212 0.48715188358626 0.98217688196216 204.383 > 9 11 Tl 0.39774511764788 0.98715188358626 0.51782311803784 204.383 > 11 12 Tl 0.89774511764788 0.98715188358626 0.51782311803784 204.383 > 11 13 Tl 0.39495587062384 0.61243500706205 0.38540104439264 204.383 > 13 14 Tl 0.89495587062384 0.61243500706205 0.38540104439264 204.383 > 13 15 Tl 0.10504412937616 0.38756499293795 0.61459895560735 204.383 > 15 16 Tl 0.60504412937616 0.38756499293795 0.61459895560735 204.383 > 15 17 Tl 0.07745020852064 0.75267658829592 0.22499140485898 204.383 > 17 18 Tl 0.57745020852064 0.75267658829592 0.22499140485898 204.383 > 17 19 Tl 0.07745020852064 0.74732341170408 0.72499140485898 204.383 > 19 20 Tl 0.57745020852064 0.74732341170408 0.72499140485898 204.383 > 19 21 Tl 0.42254979147936 0.24732341170408 0.77500859514102 204.383 > 21 22 Tl 0.92254979147936 0.24732341170408 0.77500859514102 204.383 > 21 23 Tl 0.10504412937616 0.11243500706205 0.11459895560735 204.383 > 23 24 Tl 0.60504412937616 0.11243500706205 0.11459895560735 204.383 > 23 25 Ag 0.23013235823250 0.37013584019408 0.54961618765021 107.868 > 25 26 Ag 0.73013235823250 0.37013584019408 0.54961618765021 107.868 > 25 27 Ag 0.23013235823250 0.12986415980592 0.04961618765021 107.868 > 27 28 Ag 0.73013235823250 0.12986415980592 0.04961618765021 107.868 > 27 29 Ag 0.26986764176750 0.87013584019408 0.95038381234979 107.868 > 29 30 Ag 0.76986764176750 0.87013584019408 0.95038381234979 107.868 > 29 31 Ag 0.06033128308017 0.65942526153780 0.43359005822341 107.868 > 31 32 Ag 0.56033128308017 0.65942526153780 0.43359005822341 107.868 > 31 33 Ag 0.26757019185882 0.64323398653167 0.07393628067402 107.868 > 33 34 Ag 0.76757019185882 0.64323398653167 0.07393628067402 107.868 > 33 35 Ag 0.43966871691983 0.15942526153780 0.06640994177659 107.868 > 35 36 Ag 0.93966871691983 0.15942526153780 0.06640994177659 107.868 > 35 37 Ag 0.06033128308017 0.84057473846220 0.93359005822341 107.868 > 37 38 Ag 0.56033128308017 0.84057473846220 0.93359005822341 107.868 > 37 39 Ag 0.26986764176750 0.62986415980592 0.45038381234979 107.868 > 39 40 Ag 0.76986764176750 0.62986415980592 0.45038381234979 107.868 > 39 41 Ag 0.23242980814118 0.35676601346833 0.92606371932598 107.868 > 41 42 Ag 0.73242980814118 0.35676601346833 0.92606371932598 107.868 > 41 43 Ag 0.43966871691983 0.34057473846220 0.56640994177659 107.868 > 43 44 Ag 0.93966871691983 0.34057473846220 0.56640994177659 107.868 > 43 45 Ag 0.23242980814118 0.14323398653167 0.42606371932598 107.868 > 45 46 Ag 0.73242980814118 0.14323398653167 0.42606371932598 107.868 > 45 47 Ag 0.26757019185882 0.85676601346833 0.57393628067402 107.868 > 47 48 Ag 0.76757019185882 0.85676601346833 0.57393628067402 107.868 > 47 49 As 0.08186923450877 0.09317959989136 0.75683744003210 74.922 > 49 50 As 0.58186923450877 0.09317959989136 0.75683744003210 74.922 > 49 51 As 0.08186923450877 0.40682040010864 0.25683744003210 74.922 > 51 52 As 0.58186923450877 0.40682040010864 0.25683744003210 74.922 > 51 53 As 0.25056095324743 0.85608473499493 0.24523487616233 74.922 > 53 54 As 0.75056095324743 0.85608473499493 0.24523487616233 74.922 > 53 55 As 0.41813076549123 0.59317959989136 0.74316255996790 74.922 > 55 56 As 0.91813076549123 0.59317959989136 0.74316255996790 74.922 > 55 57 As 0.25056095324743 0.64391526500507 0.74523487616232 74.922 > 57 58 As 0.75056095324743 0.64391526500507 0.74523487616232 74.922 > 57 59 As 0.24943904675257 0.14391526500507 0.75476512383768 74.922 > 59 60 As 0.74943904675257 0.14391526500507 0.75476512383768 74.922 > 59 61 As 0.24943904675257 0.35608473499493 0.25476512383768 74.922 > 61 62 As 0.74943904675257 0.35608473499493 0.25476512383768 74.922 > 61 63 As 0.41813076549123 0.90682040010864 0.24316255996790 74.922 > 63 64 As 0.91813076549123 0.90682040010864 0.24316255996790 74.922 > 63 65 S 0.00326336988922 0.17302443175050 0.55616471878103 32.065 > 65 66 S 0.50326336988922 0.17302443175050 0.55616471878103 32.065 > 65 67 S 0.31002202565794 0.42779788046382 0.15867330445445 32.065 > 67 68 S 0.81002202565794 0.42779788046382 0.15867330445445 32.065 > 67 69 S 0.12322715534285 0.24796642933744 0.88931835855314 32.065 > 69 70 S 0.62322715534285 0.24796642933744 0.88931835855314 32.065 > 69 71 S 0.18346666686581 0.58128764104161 0.53403388126311 32.065 > 71 72 S 0.68346666686581 0.58128764104161 0.53403388126311 32.065 > 71 73 S 0.29031432395790 0.17591150030635 0.28870582301619 32.065 > 73 74 S 0.79031432395790 0.17591150030635 0.28870582301619 32.065 > 73 75 S 0.00206687590033 0.02530865900628 0.81151264636337 32.065 > 75 76 S 0.50206687590033 0.02530865900628 0.81151264636337 32.065 > 75 77 S 0.37677284465715 0.74796642933744 0.61068164144686 32.065 > 77 78 S 0.87677284465715 0.74796642933744 0.61068164144686 32.065 > 77 79 S 0.49793312409967 0.97469134099372 0.18848735363663 32.065 > 79 80 S 0.99793312409967 0.97469134099372 0.18848735363663 32.065 > 79 81 S 0.00206687590033 0.47469134099372 0.31151264636337 32.065 > 81 82 S 0.50206687590033 0.47469134099372 0.31151264636337 32.065 > 81 83 S 0.37677284465715 0.75203357066256 0.11068164144686 32.065 > 83 84 S 0.87677284465715 0.75203357066256 0.11068164144686 32.065 > 83 85 S 0.31002202565794 0.07220211953618 0.65867330445445 32.065 > 85 86 S 0.81002202565794 0.07220211953618 0.65867330445445 32.065 > 85 87 S 0.29031432395790 0.32408849969365 0.78870582301619 32.065 > 87 88 S 0.79031432395790 0.32408849969365 0.78870582301619 32.065 > 87 89 S 0.18997797434206 0.57220211953618 0.84132669554555 32.065 > 89 90 S 0.68997797434206 0.57220211953618 0.84132669554555 32.065 > 89 91 S 0.00326336988922 0.32697556824950 0.05616471878102 32.065 > 91 92 S 0.50326336988922 0.32697556824950 0.05616471878102 32.065 > 91 93 S 0.49673663011079 0.82697556824950 0.44383528121897 32.065 > 93 94 S 0.99673663011078 0.82697556824950 0.44383528121897 32.065 > 93 95 S 0.49793312409967 0.52530865900628 0.68848735363663 32.065 > 95 96 S 0.99793312409967 0.52530865900628 0.68848735363663 32.065 > 95 97 S 0.31653333313419 0.41871235895839 0.46596611873689 32.065 > 97 98 S 0.81653333313419 0.41871235895839 0.46596611873689 32.065 > 97 99 S 0.20968567604210 0.82408849969366 0.71129417698381 32.065 > 99 100 S 0.70968567604210 0.82408849969366 0.71129417698381 32.065 > 99 101 S 0.49673663011079 0.67302443175050 0.94383528121897 32.065 > 101 102 S 0.99673663011078 0.67302443175050 0.94383528121897 32.065 > 101 103 S 0.18997797434206 0.92779788046382 0.34132669554555 32.065 > 103 104 S 0.68997797434206 0.92779788046382 0.34132669554555 32.065 > 103 105 S 0.31653333313419 0.08128764104161 0.96596611873689 32.065 > 105 106 S 0.81653333313419 0.08128764104161 0.96596611873689 32.065 > 105 107 S 0.12322715534285 0.25203357066256 0.38931835855314 32.065 > 107 108 S 0.62322715534285 0.25203357066256 0.38931835855314 32.065 > 107 109 S 0.20968567604210 0.67591150030634 0.21129417698381 32.065 > 109 110 S 0.70968567604210 0.67591150030634 0.21129417698381 32.065 > 109 111 S 0.18346666686581 0.91871235895839 0.03403388126311 32.065 > 111 112 S 0.68346666686581 0.91871235895839 0.03403388126311 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0161016 0.0000000 -0.3494995 0.0000000 10.1252247 0.0000000 -0.3495037 0.0000000 10.6637025 -------------------------- Born effective charges -------------------------- 1 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 2 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 3 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 4 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 5 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 6 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 7 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 8 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 9 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 10 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 11 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 12 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 13 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 14 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 15 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 16 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 17 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 18 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 19 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 20 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 21 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 22 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 23 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 24 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 25 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 26 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 27 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 28 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 29 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 30 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 31 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 32 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 33 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 34 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 35 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 36 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 37 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 38 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 39 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 40 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 41 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 42 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 43 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 44 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 45 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 46 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 47 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 48 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 49 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 50 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 51 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 52 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 53 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 54 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 55 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 56 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 3, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 31, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 67, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 69, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 71, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 75, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 20:06:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:06:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.832110344518977 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): 1 Tl 0.20450976470425 0.01284811641374 0.48217688196216 204.383 2 Tl 0.78991174124768 0.88756499293795 0.88540104439265 204.383 3 Tl 0.84509958295873 0.25267658829592 0.27500859514102 204.383 4 Tl 0.79549023529575 0.51284811641374 0.01782311803784 204.383 5 Tl 0.20450976470425 0.48715188358626 0.98217688196216 204.383 6 Tl 0.79549023529575 0.98715188358626 0.51782311803784 204.383 7 Tl 0.78991174124768 0.61243500706205 0.38540104439264 204.383 8 Tl 0.21008825875232 0.38756499293795 0.61459895560735 204.383 9 Tl 0.15490041704127 0.75267658829592 0.22499140485898 204.383 10 Tl 0.15490041704127 0.74732341170408 0.72499140485898 204.383 11 Tl 0.84509958295873 0.24732341170408 0.77500859514102 204.383 12 Tl 0.21008825875232 0.11243500706205 0.11459895560735 204.383 13 Ag 0.46026471646500 0.37013584019408 0.54961618765021 107.868 14 Ag 0.46026471646500 0.12986415980592 0.04961618765021 107.868 15 Ag 0.53973528353500 0.87013584019408 0.95038381234979 107.868 16 Ag 0.12066256616033 0.65942526153780 0.43359005822341 107.868 17 Ag 0.53514038371765 0.64323398653167 0.07393628067402 107.868 18 Ag 0.87933743383967 0.15942526153780 0.06640994177659 107.868 19 Ag 0.12066256616033 0.84057473846220 0.93359005822341 107.868 20 Ag 0.53973528353500 0.62986415980592 0.45038381234979 107.868 21 Ag 0.46485961628235 0.35676601346833 0.92606371932598 107.868 22 Ag 0.87933743383967 0.34057473846220 0.56640994177659 107.868 23 Ag 0.46485961628235 0.14323398653167 0.42606371932598 107.868 24 Ag 0.53514038371765 0.85676601346833 0.57393628067402 107.868 25 As 0.16373846901753 0.09317959989136 0.75683744003210 74.922 26 As 0.16373846901753 0.40682040010864 0.25683744003210 74.922 27 As 0.50112190649486 0.85608473499493 0.24523487616233 74.922 28 As 0.83626153098247 0.59317959989136 0.74316255996790 74.922 29 As 0.50112190649486 0.64391526500507 0.74523487616232 74.922 30 As 0.49887809350514 0.14391526500507 0.75476512383768 74.922 31 As 0.49887809350514 0.35608473499493 0.25476512383768 74.922 32 As 0.83626153098247 0.90682040010864 0.24316255996790 74.922 33 S 0.00652673977843 0.17302443175050 0.55616471878103 32.065 34 S 0.62004405131588 0.42779788046382 0.15867330445445 32.065 35 S 0.24645431068571 0.24796642933744 0.88931835855314 32.065 36 S 0.36693333373163 0.58128764104161 0.53403388126311 32.065 37 S 0.58062864791580 0.17591150030635 0.28870582301619 32.065 38 S 0.00413375180066 0.02530865900628 0.81151264636337 32.065 39 S 0.75354568931429 0.74796642933744 0.61068164144686 32.065 40 S 0.99586624819934 0.97469134099372 0.18848735363663 32.065 41 S 0.00413375180066 0.47469134099372 0.31151264636337 32.065 42 S 0.75354568931429 0.75203357066256 0.11068164144686 32.065 43 S 0.62004405131588 0.07220211953618 0.65867330445445 32.065 44 S 0.58062864791580 0.32408849969365 0.78870582301619 32.065 45 S 0.37995594868413 0.57220211953618 0.84132669554555 32.065 46 S 0.00652673977843 0.32697556824950 0.05616471878102 32.065 47 S 0.99347326022157 0.82697556824950 0.44383528121897 32.065 48 S 0.99586624819934 0.52530865900628 0.68848735363663 32.065 49 S 0.63306666626837 0.41871235895839 0.46596611873689 32.065 50 S 0.41937135208420 0.82408849969366 0.71129417698381 32.065 51 S 0.99347326022157 0.67302443175050 0.94383528121897 32.065 52 S 0.37995594868413 0.92779788046382 0.34132669554555 32.065 53 S 0.63306666626837 0.08128764104161 0.96596611873689 32.065 54 S 0.24645431068571 0.25203357066256 0.38931835855314 32.065 55 S 0.41937135208420 0.67591150030634 0.21129417698381 32.065 56 S 0.36693333373163 0.91871235895839 0.03403388126311 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.664220689037954 0.000000000000000 0.000000000000000 b 0.000000000000000 11.712581249999999 0.000000000000000 c -5.842611684735965 0.000000000000000 10.159878297976752 Atomic positions (fractional): 1 Tl 0.10225488235212 0.01284811641374 0.48217688196216 204.383 > 1 2 Tl 0.60225488235212 0.01284811641374 0.48217688196216 204.383 > 1 3 Tl 0.39495587062384 0.88756499293795 0.88540104439265 204.383 > 3 4 Tl 0.89495587062384 0.88756499293795 0.88540104439265 204.383 > 3 5 Tl 0.42254979147936 0.25267658829592 0.27500859514102 204.383 > 5 6 Tl 0.92254979147936 0.25267658829592 0.27500859514102 204.383 > 5 7 Tl 0.39774511764788 0.51284811641374 0.01782311803784 204.383 > 7 8 Tl 0.89774511764788 0.51284811641374 0.01782311803784 204.383 > 7 9 Tl 0.10225488235212 0.48715188358626 0.98217688196216 204.383 > 9 10 Tl 0.60225488235212 0.48715188358626 0.98217688196216 204.383 > 9 11 Tl 0.39774511764788 0.98715188358626 0.51782311803784 204.383 > 11 12 Tl 0.89774511764788 0.98715188358626 0.51782311803784 204.383 > 11 13 Tl 0.39495587062384 0.61243500706205 0.38540104439264 204.383 > 13 14 Tl 0.89495587062384 0.61243500706205 0.38540104439264 204.383 > 13 15 Tl 0.10504412937616 0.38756499293795 0.61459895560735 204.383 > 15 16 Tl 0.60504412937616 0.38756499293795 0.61459895560735 204.383 > 15 17 Tl 0.07745020852064 0.75267658829592 0.22499140485898 204.383 > 17 18 Tl 0.57745020852064 0.75267658829592 0.22499140485898 204.383 > 17 19 Tl 0.07745020852064 0.74732341170408 0.72499140485898 204.383 > 19 20 Tl 0.57745020852064 0.74732341170408 0.72499140485898 204.383 > 19 21 Tl 0.42254979147936 0.24732341170408 0.77500859514102 204.383 > 21 22 Tl 0.92254979147936 0.24732341170408 0.77500859514102 204.383 > 21 23 Tl 0.10504412937616 0.11243500706205 0.11459895560735 204.383 > 23 24 Tl 0.60504412937616 0.11243500706205 0.11459895560735 204.383 > 23 25 Ag 0.23013235823250 0.37013584019408 0.54961618765021 107.868 > 25 26 Ag 0.73013235823250 0.37013584019408 0.54961618765021 107.868 > 25 27 Ag 0.23013235823250 0.12986415980592 0.04961618765021 107.868 > 27 28 Ag 0.73013235823250 0.12986415980592 0.04961618765021 107.868 > 27 29 Ag 0.26986764176750 0.87013584019408 0.95038381234979 107.868 > 29 30 Ag 0.76986764176750 0.87013584019408 0.95038381234979 107.868 > 29 31 Ag 0.06033128308017 0.65942526153780 0.43359005822341 107.868 > 31 32 Ag 0.56033128308017 0.65942526153780 0.43359005822341 107.868 > 31 33 Ag 0.26757019185882 0.64323398653167 0.07393628067402 107.868 > 33 34 Ag 0.76757019185882 0.64323398653167 0.07393628067402 107.868 > 33 35 Ag 0.43966871691983 0.15942526153780 0.06640994177659 107.868 > 35 36 Ag 0.93966871691983 0.15942526153780 0.06640994177659 107.868 > 35 37 Ag 0.06033128308017 0.84057473846220 0.93359005822341 107.868 > 37 38 Ag 0.56033128308017 0.84057473846220 0.93359005822341 107.868 > 37 39 Ag 0.26986764176750 0.62986415980592 0.45038381234979 107.868 > 39 40 Ag 0.76986764176750 0.62986415980592 0.45038381234979 107.868 > 39 41 Ag 0.23242980814118 0.35676601346833 0.92606371932598 107.868 > 41 42 Ag 0.73242980814118 0.35676601346833 0.92606371932598 107.868 > 41 43 Ag 0.43966871691983 0.34057473846220 0.56640994177659 107.868 > 43 44 Ag 0.93966871691983 0.34057473846220 0.56640994177659 107.868 > 43 45 Ag 0.23242980814118 0.14323398653167 0.42606371932598 107.868 > 45 46 Ag 0.73242980814118 0.14323398653167 0.42606371932598 107.868 > 45 47 Ag 0.26757019185882 0.85676601346833 0.57393628067402 107.868 > 47 48 Ag 0.76757019185882 0.85676601346833 0.57393628067402 107.868 > 47 49 As 0.08186923450877 0.09317959989136 0.75683744003210 74.922 > 49 50 As 0.58186923450877 0.09317959989136 0.75683744003210 74.922 > 49 51 As 0.08186923450877 0.40682040010864 0.25683744003210 74.922 > 51 52 As 0.58186923450877 0.40682040010864 0.25683744003210 74.922 > 51 53 As 0.25056095324743 0.85608473499493 0.24523487616233 74.922 > 53 54 As 0.75056095324743 0.85608473499493 0.24523487616233 74.922 > 53 55 As 0.41813076549123 0.59317959989136 0.74316255996790 74.922 > 55 56 As 0.91813076549123 0.59317959989136 0.74316255996790 74.922 > 55 57 As 0.25056095324743 0.64391526500507 0.74523487616232 74.922 > 57 58 As 0.75056095324743 0.64391526500507 0.74523487616232 74.922 > 57 59 As 0.24943904675257 0.14391526500507 0.75476512383768 74.922 > 59 60 As 0.74943904675257 0.14391526500507 0.75476512383768 74.922 > 59 61 As 0.24943904675257 0.35608473499493 0.25476512383768 74.922 > 61 62 As 0.74943904675257 0.35608473499493 0.25476512383768 74.922 > 61 63 As 0.41813076549123 0.90682040010864 0.24316255996790 74.922 > 63 64 As 0.91813076549123 0.90682040010864 0.24316255996790 74.922 > 63 65 S 0.00326336988922 0.17302443175050 0.55616471878103 32.065 > 65 66 S 0.50326336988922 0.17302443175050 0.55616471878103 32.065 > 65 67 S 0.31002202565794 0.42779788046382 0.15867330445445 32.065 > 67 68 S 0.81002202565794 0.42779788046382 0.15867330445445 32.065 > 67 69 S 0.12322715534285 0.24796642933744 0.88931835855314 32.065 > 69 70 S 0.62322715534285 0.24796642933744 0.88931835855314 32.065 > 69 71 S 0.18346666686581 0.58128764104161 0.53403388126311 32.065 > 71 72 S 0.68346666686581 0.58128764104161 0.53403388126311 32.065 > 71 73 S 0.29031432395790 0.17591150030635 0.28870582301619 32.065 > 73 74 S 0.79031432395790 0.17591150030635 0.28870582301619 32.065 > 73 75 S 0.00206687590033 0.02530865900628 0.81151264636337 32.065 > 75 76 S 0.50206687590033 0.02530865900628 0.81151264636337 32.065 > 75 77 S 0.37677284465715 0.74796642933744 0.61068164144686 32.065 > 77 78 S 0.87677284465715 0.74796642933744 0.61068164144686 32.065 > 77 79 S 0.49793312409967 0.97469134099372 0.18848735363663 32.065 > 79 80 S 0.99793312409967 0.97469134099372 0.18848735363663 32.065 > 79 81 S 0.00206687590033 0.47469134099372 0.31151264636337 32.065 > 81 82 S 0.50206687590033 0.47469134099372 0.31151264636337 32.065 > 81 83 S 0.37677284465715 0.75203357066256 0.11068164144686 32.065 > 83 84 S 0.87677284465715 0.75203357066256 0.11068164144686 32.065 > 83 85 S 0.31002202565794 0.07220211953618 0.65867330445445 32.065 > 85 86 S 0.81002202565794 0.07220211953618 0.65867330445445 32.065 > 85 87 S 0.29031432395790 0.32408849969365 0.78870582301619 32.065 > 87 88 S 0.79031432395790 0.32408849969365 0.78870582301619 32.065 > 87 89 S 0.18997797434206 0.57220211953618 0.84132669554555 32.065 > 89 90 S 0.68997797434206 0.57220211953618 0.84132669554555 32.065 > 89 91 S 0.00326336988922 0.32697556824950 0.05616471878102 32.065 > 91 92 S 0.50326336988922 0.32697556824950 0.05616471878102 32.065 > 91 93 S 0.49673663011079 0.82697556824950 0.44383528121897 32.065 > 93 94 S 0.99673663011078 0.82697556824950 0.44383528121897 32.065 > 93 95 S 0.49793312409967 0.52530865900628 0.68848735363663 32.065 > 95 96 S 0.99793312409967 0.52530865900628 0.68848735363663 32.065 > 95 97 S 0.31653333313419 0.41871235895839 0.46596611873689 32.065 > 97 98 S 0.81653333313419 0.41871235895839 0.46596611873689 32.065 > 97 99 S 0.20968567604210 0.82408849969366 0.71129417698381 32.065 > 99 100 S 0.70968567604210 0.82408849969366 0.71129417698381 32.065 > 99 101 S 0.49673663011079 0.67302443175050 0.94383528121897 32.065 > 101 102 S 0.99673663011078 0.67302443175050 0.94383528121897 32.065 > 101 103 S 0.18997797434206 0.92779788046382 0.34132669554555 32.065 > 103 104 S 0.68997797434206 0.92779788046382 0.34132669554555 32.065 > 103 105 S 0.31653333313419 0.08128764104161 0.96596611873689 32.065 > 105 106 S 0.81653333313419 0.08128764104161 0.96596611873689 32.065 > 105 107 S 0.12322715534285 0.25203357066256 0.38931835855314 32.065 > 107 108 S 0.62322715534285 0.25203357066256 0.38931835855314 32.065 > 107 109 S 0.20968567604210 0.67591150030634 0.21129417698381 32.065 > 109 110 S 0.70968567604210 0.67591150030634 0.21129417698381 32.065 > 109 111 S 0.18346666686581 0.91871235895839 0.03403388126311 32.065 > 111 112 S 0.68346666686581 0.91871235895839 0.03403388126311 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0161016 0.0000000 -0.3494995 0.0000000 10.1252247 0.0000000 -0.3495037 0.0000000 10.6637025 -------------------------- Born effective charges -------------------------- 1 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 2 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 3 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 4 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 5 Tl 2.1962891 -0.1969600 0.1909030 -0.2973043 2.3398661 -0.2066121 0.0658986 -0.2744390 2.1259422 6 Tl 2.1962891 0.1969600 0.1909030 0.2973043 2.3398661 0.2066121 0.0658986 0.2744390 2.1259422 7 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 8 Tl 2.3834405 0.5411590 -0.1785852 0.3205691 2.0902476 0.2273195 -0.3124108 -0.0162219 2.3928608 9 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 10 Tl 2.5486719 0.1589342 0.3031827 -0.0376964 1.9389518 -0.4030755 0.3578927 -0.3729535 1.7366493 11 Tl 2.5486719 -0.1589342 0.3031827 0.0376964 1.9389518 0.4030755 0.3578927 0.3729535 1.7366493 12 Tl 2.3834405 -0.5411590 -0.1785852 -0.3205691 2.0902476 -0.2273195 -0.3124108 0.0162219 2.3928608 13 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 14 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 15 Ag 0.7244282 -0.0757697 -0.0882387 -0.0169916 1.0141894 0.1708528 -0.0554237 -0.2585825 0.6902495 16 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 17 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 18 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 19 Ag 0.6429754 0.0723001 0.3452981 0.0262277 1.2057837 -0.2239351 0.4065969 -0.1754538 0.5606800 20 Ag 0.7244282 0.0757697 -0.0882387 0.0169916 1.0141894 -0.1708528 -0.0554237 0.2585825 0.6902495 21 Ag 0.7148522 0.1974645 0.0132898 -0.0539122 1.1741035 -0.0287720 -0.0877814 -0.0931974 0.9752075 22 Ag 0.6429754 -0.0723001 0.3452981 -0.0262277 1.2057837 0.2239351 0.4065969 0.1754538 0.5606800 23 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 24 Ag 0.7148522 -0.1974645 0.0132898 0.0539122 1.1741035 0.0287720 -0.0877814 0.0931974 0.9752075 25 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 26 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 27 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 28 As 1.6989359 -1.3036149 0.7083884 -1.2882240 1.5142412 0.3941684 -0.0119203 -0.2856824 2.9105193 29 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 30 As 1.0801363 -0.5440899 -0.8954573 -0.2330699 2.5009166 -0.3008110 -1.2088123 -0.5053841 2.2218558 31 As 1.0801363 0.5440899 -0.8954573 0.2330699 2.5009166 0.3008110 -1.2088123 0.5053841 2.2218558 32 As 1.6989359 1.3036149 0.7083884 1.2882240 1.5142412 -0.3941684 -0.0119203 0.2856824 2.9105193 33 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 34 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 35 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 36 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 37 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 38 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 39 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 40 S -2.6301592 -0.0218671 -0.1301528 -0.9335948 -2.2842583 0.1345621 0.2844660 0.1232838 -2.3633081 41 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 42 S -1.1755974 -0.8325841 -0.3581018 -0.1441821 -2.1957695 -0.2884976 0.2951941 -0.7249610 -2.1450465 43 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 44 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 45 S -2.5278273 -0.0742833 0.0723856 -0.3168661 -2.3630257 0.4135290 0.6946718 0.4602955 -2.0729302 46 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 47 S -1.9954926 -0.4203372 -0.3759805 -0.4431377 -2.6154576 0.3300135 -0.4729623 0.6446901 -2.9684900 48 S -2.6301592 0.0218671 -0.1301528 0.9335948 -2.2842583 -0.1345621 0.2844660 -0.1232838 -2.3633081 49 S -1.6315205 -0.1079976 0.2469646 -0.2325513 -1.7580582 -0.4250409 -0.0795912 -0.4651676 -2.8085252 50 S -2.0291326 -0.2763747 0.1461041 0.2317743 -2.5617308 0.3210576 0.1241818 0.0819911 -1.2556647 51 S -1.9954926 0.4203372 -0.3759805 0.4431377 -2.6154576 -0.3300135 -0.4729623 -0.6446901 -2.9684900 52 S -2.5278273 0.0742833 0.0723856 0.3168661 -2.3630257 -0.4135290 0.6946718 -0.4602955 -2.0729302 53 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 54 S -1.1755974 0.8325841 -0.3581018 0.1441821 -2.1957695 0.2884976 0.2951941 0.7249610 -2.1450465 55 S -2.0291326 0.2763747 0.1461041 -0.2317743 -2.5617308 -0.3210576 0.1241818 -0.0819911 -1.2556647 56 S -1.6315205 0.1079976 0.2469646 0.2325513 -1.7580582 0.4250409 -0.0795912 0.4651676 -2.8085252 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 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: 0.38, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 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 0.685 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 0.760 ( 0.000 0.000 0.000) 0.000 0.772 ( 0.000 0.000 0.000) 0.000 0.830 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 0.856 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 0.914 ( 0.000 0.000 0.000) 0.000 0.949 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.034 ( 0.000 0.000 0.000) 0.000 1.044 ( 0.000 0.000 0.000) 0.000 1.050 ( 0.000 0.000 0.000) 0.000 1.082 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 10.938 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 10.085 0.000 6.519) 12.009 0.300 ( 11.812 0.000 6.542) 13.503 0.490 ( 17.153 0.000 11.974) 20.919 0.698 ( -0.410 0.000 0.862) 0.954 0.737 ( 3.092 0.000 -1.204) 3.318 0.761 ( 0.555 0.000 -0.502) 0.748 0.772 ( 0.672 0.000 -0.587) 0.892 0.828 ( -1.334 0.000 1.144) 1.758 0.848 ( -0.819 0.000 0.040) 0.820 0.863 ( 0.307 0.000 0.736) 0.797 0.876 ( -2.265 0.000 -0.919) 2.444 0.896 ( 0.927 0.000 -2.942) 3.085 0.902 ( -1.263 0.000 0.423) 1.332 0.929 ( -1.279 0.000 1.104) 1.690 0.986 ( 0.409 0.000 1.526) 1.580 1.002 ( 1.277 0.000 2.376) 2.698 1.004 ( 1.049 0.000 -0.470) 1.150 1.019 ( -1.537 0.000 -1.986) 2.511 1.028 ( -2.222 0.000 1.058) 2.461 1.044 ( 0.830 0.000 0.572) 1.008 1.051 ( 0.263 0.000 1.106) 1.137 1.090 ( -0.431 0.000 0.522) 0.677 1.100 ( -0.132 0.000 -1.793) 1.798 1.117 ( 1.039 0.000 -1.437) 1.773 1.124 ( -0.268 0.000 0.572) 0.631 1.140 ( 1.354 0.000 -0.513) 1.448 1.157 ( -0.422 0.000 -1.739) 1.789 1.165 ( -0.245 0.000 -0.269) 0.363 1.192 ( -0.220 0.000 1.461) 1.477 1.206 ( 0.152 0.000 -0.258) 0.299 1.211 ( 0.126 0.000 2.165) 2.168 1.248 ( -0.361 0.000 -1.010) 1.073 1.270 ( -0.847 0.000 0.764) 1.140 1.276 ( 0.010 0.000 2.125) 2.125 1.286 ( 0.589 0.000 1.438) 1.554 1.323 ( -1.159 0.000 -1.358) 1.785 1.350 ( -1.464 0.000 1.026) 1.788 1.368 ( -1.760 0.000 -0.357) 1.796 1.401 ( -0.415 0.000 -2.102) 2.143 1.415 ( -1.029 0.000 -2.129) 2.364 1.432 ( -0.085 0.000 -1.453) 1.456 1.474 ( 0.288 0.000 -1.524) 1.551 1.507 ( 1.858 0.000 0.529) 1.932 1.527 ( 1.147 0.000 1.696) 2.047 1.547 ( -0.128 0.000 1.309) 1.315 1.574 ( -3.592 0.000 -0.223) 3.599 1.601 ( -0.666 0.000 0.736) 0.992 1.609 ( -0.902 0.000 0.462) 1.014 1.633 ( -1.987 0.000 1.066) 2.255 1.639 ( 0.048 0.000 -1.225) 1.225 1.646 ( 0.215 0.000 -0.103) 0.238 1.717 ( 1.247 0.000 0.319) 1.288 1.727 ( -0.293 0.000 -1.916) 1.938 1.736 ( -2.031 0.000 -0.115) 2.034 1.745 ( 1.169 0.000 -1.660) 2.030 1.785 ( 0.531 0.000 0.977) 1.112 1.872 ( -0.226 0.000 0.161) 0.277 1.888 ( -0.179 0.000 -0.577) 0.604 1.929 ( -0.367 0.000 -0.110) 0.383 1.938 ( -0.239 0.000 2.151) 2.164 1.954 ( 0.331 0.000 -2.505) 2.527 2.030 ( 1.326 0.000 -0.777) 1.537 2.038 ( 1.344 0.000 -0.167) 1.355 2.105 ( -0.551 0.000 0.421) 0.693 2.266 ( -1.129 0.000 1.426) 1.819 2.294 ( -0.842 0.000 0.478) 0.969 2.298 ( -2.395 0.000 -0.085) 2.397 2.323 ( -2.058 0.000 -3.441) 4.009 2.353 ( -0.361 0.000 -0.320) 0.483 2.362 ( -1.031 0.000 -1.453) 1.782 2.395 ( 0.162 0.000 -1.921) 1.928 2.432 ( -1.550 0.000 -0.594) 1.660 2.461 ( -1.064 0.000 -0.614) 1.228 2.462 ( 3.071 0.000 -0.333) 3.089 2.548 ( 1.988 0.000 1.038) 2.242 2.556 ( 2.059 0.000 -0.789) 2.205 2.724 ( 0.301 0.000 0.630) 0.698 2.740 ( 0.497 0.000 -1.955) 2.017 2.765 ( 0.125 0.000 -1.216) 1.222 2.783 ( 1.812 0.000 -1.725) 2.502 2.801 ( -0.411 0.000 1.658) 1.708 2.840 ( 0.400 0.000 0.460) 0.610 2.843 ( 0.359 0.000 1.378) 1.424 2.851 ( 0.251 0.000 0.835) 0.872 3.000 ( -0.297 0.000 -1.165) 1.202 3.069 ( -0.995 0.000 -0.996) 1.407 3.088 ( -0.563 0.000 1.844) 1.928 3.225 ( 0.545 0.000 -0.991) 1.131 3.441 ( 1.007 0.000 1.752) 2.021 3.557 ( -3.767 0.000 -0.466) 3.795 3.629 ( 1.417 0.000 -0.859) 1.657 3.697 ( -0.174 0.000 1.189) 1.202 3.790 ( -0.349 0.000 -0.515) 0.622 3.791 ( 1.229 0.000 4.239) 4.414 3.823 ( -1.588 0.000 0.077) 1.590 3.937 ( 0.425 0.000 0.032) 0.426 3.973 ( -0.183 0.000 -0.339) 0.386 3.991 ( 0.011 0.000 0.613) 0.613 4.197 ( -0.389 0.000 -0.618) 0.730 4.221 ( -1.739 0.000 -0.668) 1.863 4.370 ( -0.982 0.000 -0.105) 0.987 4.459 ( -0.937 0.000 0.790) 1.225 4.612 ( -0.031 0.000 -0.181) 0.184 4.644 ( 0.704 0.000 0.289) 0.762 4.834 ( -0.108 0.000 -2.817) 2.819 5.074 ( 0.902 0.000 0.716) 1.152 5.373 ( -0.610 0.000 1.868) 1.965 5.494 ( -0.006 0.000 -0.434) 0.434 5.509 ( 0.184 0.000 0.530) 0.561 5.606 ( -1.629 0.000 -0.543) 1.717 5.664 ( 0.114 0.000 0.168) 0.203 5.667 ( 0.189 0.000 -0.273) 0.332 5.735 ( -1.183 0.000 -2.804) 3.043 5.768 ( 0.879 0.000 0.737) 1.147 5.774 ( -3.591 0.000 0.550) 3.633 5.900 ( 1.747 0.000 1.295) 2.175 5.941 ( 1.954 0.000 0.389) 1.992 6.039 ( -0.872 0.000 0.472) 0.991 6.269 ( 0.072 0.000 -1.239) 1.242 6.282 ( 0.255 0.000 0.679) 0.725 6.432 ( -1.094 0.000 1.222) 1.640 6.440 ( 1.001 0.000 -0.145) 1.012 6.484 ( -1.112 0.000 -0.222) 1.134 6.559 ( -0.909 0.000 -1.597) 1.837 6.567 ( -1.052 0.000 -0.697) 1.262 6.600 ( 0.040 0.000 -3.803) 3.803 6.661 ( -0.700 0.000 -2.240) 2.346 6.726 ( 4.310 0.000 3.769) 5.725 6.732 ( 1.778 0.000 0.897) 1.991 6.761 ( -3.598 0.000 7.492) 8.311 6.915 ( 0.518 0.000 -0.488) 0.712 6.997 ( -2.120 0.000 0.862) 2.289 7.179 ( 2.888 0.000 4.083) 5.001 7.185 ( -0.530 0.000 -8.036) 8.053 7.365 ( 2.825 0.000 -2.555) 3.809 7.392 ( -0.735 0.000 -0.787) 1.076 7.434 ( 0.969 0.000 3.756) 3.879 7.601 ( -3.461 0.000 -0.869) 3.569 7.656 ( 0.585 0.000 0.359) 0.687 7.749 ( 2.198 0.000 0.304) 2.218 7.822 ( 0.240 0.000 1.225) 1.249 7.997 ( -0.115 0.000 0.125) 0.170 8.067 ( 0.223 0.000 -0.395) 0.454 8.194 ( -0.022 0.000 -0.367) 0.367 8.686 ( -0.281 0.000 0.182) 0.335 8.761 ( 0.033 0.000 -0.114) 0.119 8.972 ( -0.045 0.000 -0.110) 0.119 9.025 ( -0.821 0.000 2.331) 2.472 9.267 ( 3.077 0.000 -6.455) 7.151 9.290 ( -0.622 0.000 -1.443) 1.571 9.364 ( -0.204 0.000 0.584) 0.619 9.411 ( 3.382 0.000 0.046) 3.383 9.424 ( 2.234 0.000 0.504) 2.290 9.481 ( -0.321 0.000 0.126) 0.345 9.663 ( -0.825 0.000 -0.807) 1.154 9.703 ( 0.196 0.000 0.810) 0.833 9.730 ( -0.399 0.000 0.764) 0.862 9.767 ( -6.522 0.000 8.842) 10.987 9.859 ( 0.022 0.000 0.639) 0.639 9.964 ( -1.638 0.000 -0.693) 1.778 10.511 ( 0.117 0.000 -0.202) 0.233 10.524 ( -0.311 0.000 0.346) 0.465 10.566 ( 1.667 0.000 0.362) 1.706 10.579 ( 0.333 0.000 0.003) 0.333 10.737 ( -0.154 0.000 0.058) 0.165 10.748 ( -0.888 0.000 -0.362) 0.959 10.860 ( -0.366 0.000 -0.328) 0.492 10.955 ( -0.289 0.000 0.099) 0.306 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 7.825 0.000 3.740) 8.673 0.554 ( 8.255 0.000 4.308) 9.311 0.686 ( -2.740 0.000 1.259) 3.016 0.688 ( -0.501 0.000 -0.435) 0.664 0.768 ( -1.536 0.000 1.785) 2.355 0.769 ( 0.611 0.000 -1.973) 2.065 0.792 ( -0.844 0.000 -3.770) 3.863 0.810 ( -2.997 0.000 1.644) 3.419 0.852 ( 1.264 0.000 0.224) 1.284 0.874 ( 1.880 0.000 -0.398) 1.922 0.877 ( 0.398 0.000 0.914) 0.997 0.892 ( -0.352 0.000 0.049) 0.355 0.931 ( 5.222 0.000 -0.661) 5.264 0.936 ( 2.003 0.000 1.562) 2.540 0.969 ( -0.642 0.000 0.186) 0.668 0.999 ( -1.845 0.000 -0.017) 1.845 1.002 ( 0.280 0.000 2.450) 2.466 1.018 ( 0.612 0.000 1.842) 1.941 1.041 ( 0.703 0.000 0.371) 0.795 1.059 ( -0.876 0.000 -0.830) 1.207 1.068 ( 0.280 0.000 0.121) 0.304 1.081 ( 1.143 0.000 0.857) 1.429 1.093 ( -0.511 0.000 0.642) 0.821 1.120 ( -0.831 0.000 -1.033) 1.326 1.126 ( 3.047 0.000 -0.773) 3.143 1.137 ( 1.394 0.000 -1.166) 1.817 1.165 ( 0.220 0.000 -0.246) 0.330 1.177 ( 2.398 0.000 0.319) 2.419 1.203 ( -1.186 0.000 0.514) 1.292 1.213 ( 0.372 0.000 1.803) 1.841 1.227 ( -0.286 0.000 -0.462) 0.544 1.228 ( -0.705 0.000 3.163) 3.241 1.258 ( -0.597 0.000 0.084) 0.603 1.262 ( -1.483 0.000 -1.277) 1.958 1.306 ( 0.054 0.000 0.299) 0.304 1.314 ( -0.062 0.000 2.018) 2.018 1.336 ( -0.692 0.000 -3.130) 3.205 1.341 ( -0.443 0.000 0.208) 0.490 1.377 ( -0.894 0.000 -0.307) 0.945 1.382 ( -0.236 0.000 -1.562) 1.580 1.391 ( -2.857 0.000 -2.566) 3.840 1.444 ( -1.350 0.000 -0.766) 1.552 1.509 ( -3.939 0.000 -0.063) 3.939 1.522 ( -0.295 0.000 -0.393) 0.491 1.539 ( 0.485 0.000 -1.377) 1.460 1.564 ( -0.904 0.000 0.997) 1.346 1.566 ( 0.531 0.000 0.720) 0.895 1.609 ( 0.786 0.000 -0.349) 0.860 1.625 ( 0.050 0.000 1.940) 1.941 1.644 ( 0.171 0.000 -0.861) 0.877 1.653 ( -0.017 0.000 2.010) 2.010 1.677 ( -0.010 0.000 -1.803) 1.803 1.723 ( 0.022 0.000 -0.654) 0.654 1.741 ( -1.193 0.000 -0.128) 1.200 1.760 ( 1.950 0.000 -1.104) 2.241 1.804 ( 0.121 0.000 0.943) 0.950 1.835 ( -1.215 0.000 -0.191) 1.230 1.859 ( -1.858 0.000 -0.250) 1.875 1.944 ( 0.994 0.000 0.287) 1.034 1.956 ( 0.383 0.000 0.616) 0.726 1.959 ( 0.893 0.000 -0.268) 0.932 2.045 ( -0.198 0.000 -0.236) 0.308 2.051 ( 0.821 0.000 0.283) 0.868 2.102 ( -0.140 0.000 0.028) 0.143 2.237 ( -2.205 0.000 0.111) 2.208 2.253 ( -1.517 0.000 -0.039) 1.518 2.286 ( 0.794 0.000 -1.058) 1.323 2.300 ( -0.687 0.000 2.452) 2.546 2.330 ( 0.638 0.000 -2.997) 3.064 2.341 ( -0.428 0.000 -0.202) 0.473 2.391 ( -1.544 0.000 -0.484) 1.618 2.392 ( 0.389 0.000 0.615) 0.728 2.426 ( -1.270 0.000 -1.428) 1.911 2.517 ( 2.109 0.000 -0.060) 2.110 2.575 ( 0.591 0.000 -0.283) 0.655 2.581 ( 0.488 0.000 0.646) 0.810 2.732 ( 0.546 0.000 -1.264) 1.377 2.741 ( 0.480 0.000 0.560) 0.738 2.752 ( -0.396 0.000 -0.307) 0.502 2.789 ( 0.833 0.000 -1.444) 1.667 2.812 ( 0.096 0.000 0.593) 0.601 2.845 ( -0.114 0.000 0.188) 0.219 2.856 ( 0.119 0.000 0.730) 0.740 2.874 ( 0.463 0.000 0.662) 0.808 2.987 ( -0.112 0.000 -0.481) 0.494 3.042 ( -0.907 0.000 -0.127) 0.916 3.094 ( -0.384 0.000 0.956) 1.030 3.223 ( 0.267 0.000 -0.660) 0.712 3.477 ( 0.797 0.000 0.987) 1.269 3.504 ( -1.408 0.000 -0.225) 1.425 3.651 ( 1.173 0.000 -0.309) 1.213 3.692 ( -0.360 0.000 -0.090) 0.371 3.764 ( -1.041 0.000 -0.630) 1.217 3.807 ( -0.418 0.000 0.295) 0.511 3.852 ( 0.944 0.000 1.983) 2.196 3.947 ( 0.349 0.000 0.170) 0.388 3.966 ( -0.127 0.000 -0.243) 0.274 3.999 ( 0.204 0.000 0.254) 0.326 4.178 ( -1.419 0.000 -0.703) 1.584 4.182 ( -0.326 0.000 -0.487) 0.587 4.353 ( -0.559 0.000 -0.033) 0.560 4.450 ( -0.513 0.000 0.347) 0.619 4.606 ( -0.280 0.000 -0.046) 0.284 4.663 ( 0.650 0.000 0.282) 0.709 4.804 ( -0.540 0.000 -0.956) 1.098 5.097 ( 0.534 0.000 0.451) 0.699 5.382 ( 0.030 0.000 0.560) 0.561 5.484 ( -0.261 0.000 -0.476) 0.543 5.521 ( 0.354 0.000 0.629) 0.721 5.567 ( -1.032 0.000 -1.200) 1.583 5.666 ( -0.099 0.000 0.032) 0.104 5.671 ( 0.229 0.000 0.259) 0.346 5.707 ( 0.940 0.000 -1.667) 1.914 5.729 ( -2.275 0.000 0.929) 2.457 5.788 ( 0.455 0.000 0.401) 0.607 5.939 ( 1.300 0.000 0.152) 1.309 5.957 ( -0.166 0.000 0.235) 0.288 6.027 ( -0.619 0.000 0.291) 0.684 6.261 ( 0.287 0.000 -0.732) 0.786 6.290 ( -0.060 0.000 0.306) 0.312 6.426 ( -0.927 0.000 0.937) 1.318 6.462 ( -0.475 0.000 -0.387) 0.613 6.469 ( 1.479 0.000 1.123) 1.857 6.521 ( -1.428 0.000 -1.855) 2.341 6.544 ( 0.120 0.000 -0.188) 0.223 6.585 ( 0.628 0.000 -1.807) 1.913 6.624 ( -0.816 0.000 -1.285) 1.523 6.755 ( 0.991 0.000 -0.144) 1.002 6.779 ( -1.316 0.000 2.938) 3.219 6.838 ( 3.455 0.000 2.849) 4.479 6.903 ( -1.006 0.000 -1.539) 1.838 6.971 ( -1.321 0.000 0.878) 1.586 7.108 ( -0.897 0.000 -2.830) 2.969 7.291 ( 3.393 0.000 3.426) 4.822 7.371 ( -0.611 0.000 -0.346) 0.702 7.389 ( 1.410 0.000 -0.878) 1.662 7.473 ( 0.082 0.000 1.524) 1.526 7.519 ( -3.080 0.000 -1.731) 3.534 7.670 ( 0.320 0.000 0.262) 0.414 7.782 ( 0.881 0.000 0.198) 0.903 7.839 ( 0.444 0.000 0.379) 0.584 7.996 ( -0.075 0.000 0.106) 0.130 8.067 ( 0.167 0.000 -0.262) 0.311 8.189 ( -0.034 0.000 -0.255) 0.257 8.683 ( -0.164 0.000 0.123) 0.205 8.761 ( 0.023 0.000 -0.068) 0.072 8.969 ( -0.046 0.000 -0.080) 0.092 9.034 ( -0.077 0.000 0.661) 0.665 9.258 ( 0.779 0.000 -1.839) 1.997 9.273 ( -0.034 0.000 -0.719) 0.720 9.366 ( -0.132 0.000 0.278) 0.308 9.466 ( 0.649 0.000 0.403) 0.764 9.466 ( 1.976 0.000 -0.115) 1.980 9.483 ( 0.896 0.000 -0.003) 0.896 9.639 ( -0.996 0.000 -0.123) 1.004 9.715 ( 0.377 0.000 0.415) 0.560 9.731 ( -0.362 0.000 0.603) 0.703 9.739 ( -2.269 0.000 1.695) 2.833 9.866 ( -0.058 0.000 0.451) 0.454 9.928 ( -1.011 0.000 -0.549) 1.151 10.512 ( 0.053 0.000 -0.071) 0.088 10.524 ( -0.077 0.000 0.197) 0.211 10.585 ( 0.196 0.000 -0.008) 0.196 10.601 ( 1.208 0.000 0.360) 1.260 10.725 ( -0.868 0.000 -0.338) 0.932 10.735 ( -0.102 0.000 0.039) 0.109 10.850 ( -0.227 0.000 -0.207) 0.307 10.951 ( -0.130 0.000 -0.020) 0.131 ======================= Grid point 5 (4/39) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 0.000 11.481 0.000) 11.481 0.285 ( 0.000 12.358 0.000) 12.358 0.565 ( 0.000 20.762 0.000) 20.762 0.644 ( 0.000 -2.924 0.000) 2.924 0.672 ( 0.000 -4.501 0.000) 4.501 0.760 ( 0.000 0.147 0.000) 0.147 0.795 ( 0.000 1.811 0.000) 1.811 0.801 ( 0.000 -1.896 0.000) 1.896 0.847 ( 0.000 -0.657 0.000) 0.657 0.851 ( 0.000 0.279 0.000) 0.279 0.872 ( 0.000 -2.165 0.000) 2.165 0.881 ( 0.000 -1.326 0.000) 1.326 0.903 ( 0.000 -0.792 0.000) 0.792 0.933 ( 0.000 0.554 0.000) 0.554 0.977 ( 0.000 1.561 0.000) 1.561 0.988 ( 0.000 -0.288 0.000) 0.288 1.008 ( 0.000 -0.621 0.000) 0.621 1.025 ( 0.000 -1.360 0.000) 1.360 1.040 ( 0.000 1.022 0.000) 1.022 1.045 ( 0.000 0.659 0.000) 0.659 1.066 ( 0.000 1.471 0.000) 1.471 1.073 ( 0.000 -0.612 0.000) 0.612 1.093 ( 0.000 -0.086 0.000) 0.086 1.119 ( 0.000 -1.243 0.000) 1.243 1.128 ( 0.000 -1.180 0.000) 1.180 1.139 ( 0.000 0.127 0.000) 0.127 1.167 ( 0.000 2.046 0.000) 2.046 1.171 ( 0.000 -1.078 0.000) 1.078 1.196 ( 0.000 0.200 0.000) 0.200 1.200 ( 0.000 -2.769 0.000) 2.769 1.217 ( 0.000 1.993 0.000) 1.993 1.228 ( 0.000 -0.185 0.000) 0.185 1.233 ( 0.000 -0.484 0.000) 0.484 1.321 ( 0.000 1.830 0.000) 1.830 1.334 ( 0.000 0.713 0.000) 0.713 1.335 ( 0.000 -1.161 0.000) 1.161 1.353 ( 0.000 1.271 0.000) 1.271 1.377 ( 0.000 -1.155 0.000) 1.155 1.390 ( 0.000 -3.036 0.000) 3.036 1.407 ( 0.000 -0.478 0.000) 0.478 1.446 ( 0.000 0.107 0.000) 0.107 1.465 ( 0.000 -0.748 0.000) 0.748 1.477 ( 0.000 -1.350 0.000) 1.350 1.486 ( 0.000 -0.802 0.000) 0.802 1.548 ( 0.000 0.230 0.000) 0.230 1.573 ( 0.000 -0.484 0.000) 0.484 1.634 ( 0.000 -0.697 0.000) 0.697 1.641 ( 0.000 0.190 0.000) 0.190 1.664 ( 0.000 1.860 0.000) 1.860 1.666 ( 0.000 0.756 0.000) 0.756 1.700 ( 0.000 2.441 0.000) 2.441 1.716 ( 0.000 0.220 0.000) 0.220 1.717 ( 0.000 1.855 0.000) 1.855 1.735 ( 0.000 0.186 0.000) 0.186 1.746 ( 0.000 0.105 0.000) 0.105 1.774 ( 0.000 1.121 0.000) 1.121 1.873 ( 0.000 -4.383 0.000) 4.383 1.881 ( 0.000 2.914 0.000) 2.914 1.899 ( 0.000 1.077 0.000) 1.077 1.919 ( 0.000 -2.020 0.000) 2.020 1.938 ( 0.000 -2.048 0.000) 2.048 2.005 ( 0.000 -0.353 0.000) 0.353 2.052 ( 0.000 1.855 0.000) 1.855 2.131 ( 0.000 1.464 0.000) 1.464 2.263 ( 0.000 -0.637 0.000) 0.637 2.278 ( 0.000 -0.969 0.000) 0.969 2.317 ( 0.000 -0.579 0.000) 0.579 2.321 ( 0.000 -1.332 0.000) 1.332 2.342 ( 0.000 -1.218 0.000) 1.218 2.351 ( 0.000 -0.838 0.000) 0.838 2.395 ( 0.000 1.521 0.000) 1.521 2.452 ( 0.000 -0.954 0.000) 0.954 2.483 ( 0.000 1.323 0.000) 1.323 2.484 ( 0.000 -1.476 0.000) 1.476 2.505 ( 0.000 -0.172 0.000) 0.172 2.567 ( 0.000 0.513 0.000) 0.513 2.663 ( 0.000 1.932 0.000) 1.932 2.752 ( 0.000 -1.504 0.000) 1.504 2.776 ( 0.000 0.629 0.000) 0.629 2.792 ( 0.000 0.147 0.000) 0.147 2.818 ( 0.000 -0.403 0.000) 0.403 2.822 ( 0.000 -0.477 0.000) 0.477 2.834 ( 0.000 0.006 0.000) 0.006 2.842 ( 0.000 -0.380 0.000) 0.380 3.012 ( 0.000 0.411 0.000) 0.411 3.067 ( 0.000 -1.401 0.000) 1.401 3.090 ( 0.000 2.431 0.000) 2.431 3.200 ( 0.000 -2.110 0.000) 2.110 3.442 ( 0.000 1.681 0.000) 1.681 3.518 ( 0.000 -2.088 0.000) 2.088 3.643 ( 0.000 0.609 0.000) 0.609 3.652 ( 0.000 -0.045 0.000) 0.045 3.784 ( 0.000 5.056 0.000) 5.056 3.805 ( 0.000 0.264 0.000) 0.264 3.873 ( 0.000 2.140 0.000) 2.140 3.899 ( 0.000 -0.733 0.000) 0.733 3.971 ( 0.000 -0.770 0.000) 0.770 4.029 ( 0.000 2.799 0.000) 2.799 4.128 ( 0.000 -6.211 0.000) 6.211 4.194 ( 0.000 -4.770 0.000) 4.770 4.460 ( 0.000 4.707 0.000) 4.707 4.594 ( 0.000 -1.526 0.000) 1.526 4.640 ( 0.000 2.450 0.000) 2.450 4.684 ( 0.000 0.467 0.000) 0.467 4.886 ( 0.000 4.966 0.000) 4.966 5.151 ( 0.000 8.385 0.000) 8.385 5.266 ( 0.000 -8.539 0.000) 8.539 5.523 ( 0.000 1.812 0.000) 1.812 5.546 ( 0.000 2.334 0.000) 2.334 5.603 ( 0.000 -2.203 0.000) 2.203 5.642 ( 0.000 -5.245 0.000) 5.245 5.659 ( 0.000 -0.460 0.000) 0.460 5.660 ( 0.000 -0.623 0.000) 0.623 5.706 ( 0.000 -8.287 0.000) 8.287 5.850 ( 0.000 0.837 0.000) 0.837 5.862 ( 0.000 -1.377 0.000) 1.377 5.890 ( 0.000 0.073 0.000) 0.073 5.971 ( 0.000 -1.649 0.000) 1.649 6.284 ( 0.000 0.867 0.000) 0.867 6.313 ( 0.000 0.935 0.000) 0.935 6.422 ( 0.000 0.233 0.000) 0.233 6.478 ( 0.000 -2.469 0.000) 2.469 6.482 ( 0.000 2.602 0.000) 2.602 6.545 ( 0.000 3.043 0.000) 3.043 6.580 ( 0.000 -2.069 0.000) 2.069 6.650 ( 0.000 0.318 0.000) 0.318 6.665 ( 0.000 4.759 0.000) 4.759 6.683 ( 0.000 2.730 0.000) 2.730 6.746 ( 0.000 1.934 0.000) 1.934 6.772 ( 0.000 1.601 0.000) 1.601 6.887 ( 0.000 -1.939 0.000) 1.939 6.966 ( 0.000 -4.352 0.000) 4.352 7.129 ( 0.000 0.209 0.000) 0.209 7.203 ( 0.000 -2.220 0.000) 2.220 7.345 ( 0.000 -0.227 0.000) 0.227 7.351 ( 0.000 -1.325 0.000) 1.325 7.451 ( 0.000 2.991 0.000) 2.991 7.606 ( 0.000 -3.243 0.000) 3.243 7.720 ( 0.000 0.524 0.000) 0.524 7.731 ( 0.000 0.523 0.000) 0.523 7.852 ( 0.000 3.408 0.000) 3.408 7.980 ( 0.000 -1.760 0.000) 1.760 8.089 ( 0.000 1.889 0.000) 1.889 8.180 ( 0.000 -1.467 0.000) 1.467 8.774 ( 0.000 2.036 0.000) 2.036 8.803 ( 0.000 3.194 0.000) 3.194 8.923 ( 0.000 -3.758 0.000) 3.758 8.971 ( 0.000 -3.334 0.000) 3.334 9.164 ( 0.000 3.428 0.000) 3.428 9.326 ( 0.000 -3.333 0.000) 3.333 9.338 ( 0.000 1.801 0.000) 1.801 9.407 ( 0.000 -0.238 0.000) 0.238 9.484 ( 0.000 0.741 0.000) 0.741 9.560 ( 0.000 -1.366 0.000) 1.366 9.571 ( 0.000 2.052 0.000) 2.052 9.671 ( 0.000 -1.484 0.000) 1.484 9.692 ( 0.000 -0.029 0.000) 0.029 9.712 ( 0.000 -1.247 0.000) 1.247 9.997 ( 0.000 1.026 0.000) 1.026 10.039 ( 0.000 -0.474 0.000) 0.474 10.522 ( 0.000 0.536 0.000) 0.536 10.523 ( 0.000 -0.541 0.000) 0.541 10.539 ( 0.000 -0.070 0.000) 0.070 10.571 ( 0.000 -0.433 0.000) 0.433 10.760 ( 0.000 1.853 0.000) 1.853 10.836 ( 0.000 2.261 0.000) 2.261 10.849 ( 0.000 -1.498 0.000) 1.498 10.926 ( 0.000 -1.160 0.000) 1.160 ======================= Grid point 6 (5/39) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 5.949 7.464 0.893) 9.587 0.377 ( 4.197 6.386 10.695) 13.144 0.658 ( 1.400 -3.801 0.873) 4.144 0.680 ( 1.838 -0.629 0.412) 1.986 0.705 ( 3.830 5.881 3.706) 7.937 0.769 ( 3.746 1.761 -0.382) 4.157 0.779 ( 0.138 1.228 -1.408) 1.873 0.806 ( -1.086 -1.843 1.306) 2.507 0.830 ( -1.003 -0.313 -0.139) 1.060 0.850 ( -0.625 -1.904 0.810) 2.162 0.873 ( -0.148 -1.753 1.334) 2.208 0.886 ( -1.124 -0.519 -1.498) 1.944 0.907 ( 1.077 2.029 -2.031) 3.066 0.940 ( 0.155 0.853 0.429) 0.967 0.966 ( 1.163 -0.232 -2.714) 2.962 0.982 ( -1.225 -0.895 0.707) 1.673 1.009 ( -0.027 0.008 0.163) 0.166 1.019 ( 0.353 0.692 2.017) 2.162 1.029 ( -1.382 0.591 -0.380) 1.551 1.053 ( -0.807 -0.208 1.209) 1.468 1.057 ( 0.007 0.180 0.951) 0.968 1.075 ( -0.887 -0.576 -0.921) 1.403 1.097 ( 0.278 -0.248 -0.859) 0.936 1.115 ( -0.754 -0.968 -0.023) 1.227 1.119 ( 1.887 0.069 -0.994) 2.134 1.135 ( -0.007 -0.278 0.031) 0.280 1.157 ( -0.161 -1.276 -0.021) 1.286 1.169 ( 0.201 0.635 -0.893) 1.114 1.192 ( 0.246 0.473 0.822) 0.980 1.215 ( 0.656 -1.020 -0.405) 1.279 1.236 ( 0.542 2.327 1.480) 2.811 1.248 ( 0.263 0.975 1.597) 1.890 1.259 ( 0.666 -0.214 2.456) 2.554 1.289 ( -1.142 0.112 -0.394) 1.213 1.310 ( -1.560 1.380 -0.266) 2.100 1.328 ( -1.244 -1.210 -1.204) 2.112 1.346 ( 0.812 1.826 -0.874) 2.181 1.350 ( -1.092 -0.498 -0.929) 1.518 1.381 ( -0.372 -1.415 -0.673) 1.610 1.408 ( -0.517 -0.578 -0.153) 0.790 1.443 ( 0.001 0.986 -0.443) 1.081 1.460 ( -0.483 -1.177 -1.458) 1.935 1.487 ( 1.492 -0.782 0.624) 1.797 1.504 ( 1.141 -1.419 0.590) 1.914 1.555 ( -0.347 -0.917 1.476) 1.772 1.576 ( -0.588 -0.318 0.377) 0.767 1.604 ( -2.490 0.511 0.672) 2.629 1.614 ( -1.712 -0.083 -0.023) 1.714 1.631 ( -2.754 1.761 0.053) 3.269 1.649 ( -1.646 -0.454 0.852) 1.908 1.682 ( 0.164 2.841 -0.810) 2.959 1.712 ( 0.092 -0.413 -0.039) 0.425 1.732 ( 0.896 0.412 0.302) 1.031 1.763 ( 1.656 2.091 -1.298) 2.966 1.771 ( -0.394 1.575 0.385) 1.668 1.789 ( 1.722 1.307 0.734) 2.284 1.862 ( -0.743 -2.810 -0.981) 3.068 1.902 ( 0.890 -0.437 0.207) 1.014 1.908 ( 0.093 -2.285 -0.353) 2.314 1.926 ( 0.338 1.503 0.590) 1.650 1.941 ( 0.772 -0.232 0.170) 0.824 2.020 ( 1.268 -1.062 0.086) 1.656 2.043 ( 0.096 1.230 -1.038) 1.613 2.117 ( -0.830 0.938 -0.664) 1.418 2.255 ( -1.411 -0.839 1.348) 2.124 2.276 ( -0.301 -1.179 -0.971) 1.557 2.294 ( -1.731 -0.799 0.531) 1.979 2.306 ( -2.164 -1.023 -0.327) 2.416 2.310 ( -1.164 -1.638 -2.428) 3.151 2.342 ( -0.894 -2.336 -0.330) 2.523 2.408 ( 0.489 1.658 -0.208) 1.741 2.446 ( 0.253 0.950 -1.046) 1.436 2.458 ( -1.072 -0.191 0.201) 1.107 2.518 ( 1.437 0.076 0.440) 1.505 2.522 ( 2.081 0.838 -1.709) 2.821 2.572 ( 1.012 0.476 0.384) 1.182 2.701 ( 2.174 -0.245 0.441) 2.232 2.745 ( 1.027 -1.164 -1.791) 2.370 2.772 ( -0.270 1.123 -1.566) 1.946 2.786 ( 0.520 0.448 -0.479) 0.837 2.813 ( -0.789 0.385 1.821) 2.022 2.833 ( 0.286 -0.417 0.699) 0.862 2.841 ( 0.085 -0.276 0.857) 0.905 2.844 ( 0.040 -0.493 0.624) 0.796 3.004 ( -0.516 0.748 -0.299) 0.957 3.071 ( -0.040 -1.424 0.505) 1.512 3.093 ( -0.823 1.942 0.934) 2.307 3.198 ( 0.188 -2.200 -0.375) 2.240 3.467 ( 1.319 2.013 1.897) 3.065 3.531 ( -0.921 -1.278 0.566) 1.674 3.629 ( -0.087 -0.069 -0.510) 0.522 3.678 ( 0.031 -1.874 1.956) 2.709 3.797 ( 1.189 2.824 0.169) 3.069 3.811 ( 0.298 1.389 0.043) 1.421 3.867 ( -1.032 3.476 0.309) 3.639 3.895 ( 0.351 -2.135 -0.180) 2.171 3.964 ( -0.280 -1.047 -0.644) 1.261 4.032 ( 0.196 2.494 0.216) 2.511 4.117 ( -0.455 -6.135 -0.927) 6.222 4.163 ( -1.751 -3.963 -1.493) 4.582 4.449 ( -0.990 5.018 -0.018) 5.115 4.565 ( -2.675 3.170 0.837) 4.232 4.612 ( -0.496 1.033 -1.561) 1.936 4.710 ( 1.284 1.764 0.845) 2.340 4.832 ( -1.968 4.487 -1.960) 5.277 5.159 ( 0.329 8.033 0.745) 8.074 5.271 ( -0.042 -9.143 0.456) 9.154 5.516 ( -0.046 1.613 -0.336) 1.648 5.529 ( -1.121 1.045 -0.136) 1.539 5.593 ( -0.367 -0.568 -2.066) 2.174 5.643 ( -0.665 -3.620 0.977) 3.808 5.653 ( 0.683 -4.134 -1.878) 4.592 5.663 ( 0.557 -0.853 -0.531) 1.149 5.721 ( -0.801 -6.516 2.964) 7.203 5.793 ( -1.930 2.672 -0.265) 3.307 5.884 ( -0.126 -1.357 -1.050) 1.720 5.916 ( 1.907 -0.621 0.541) 2.077 5.981 ( 0.780 -1.803 0.194) 1.975 6.288 ( 0.615 0.970 0.192) 1.165 6.326 ( 1.122 1.315 -0.054) 1.729 6.419 ( -0.430 -0.151 0.413) 0.615 6.463 ( -0.958 -1.611 -0.591) 1.965 6.477 ( 0.175 2.030 -0.270) 2.055 6.526 ( 0.396 -0.559 -1.894) 2.014 6.633 ( -0.408 5.017 -1.784) 5.340 6.648 ( -0.462 0.845 2.813) 2.973 6.669 ( -1.955 2.907 -0.073) 3.504 6.694 ( 0.250 -0.974 2.200) 2.419 6.735 ( 1.603 -0.012 0.803) 1.793 6.796 ( 1.251 1.966 1.101) 2.577 6.889 ( 0.548 -2.385 -0.548) 2.508 6.950 ( -2.018 -4.202 1.045) 4.778 7.167 ( 1.467 -0.259 -0.335) 1.527 7.184 ( 1.589 -0.224 -0.744) 1.768 7.360 ( 2.289 -0.155 -0.928) 2.475 7.379 ( 0.968 -0.982 0.356) 1.424 7.453 ( -0.671 1.757 2.347) 3.008 7.569 ( -3.389 -2.610 -0.243) 4.284 7.697 ( -0.628 2.208 -0.291) 2.314 7.744 ( 1.337 -0.334 -0.575) 1.493 7.860 ( 0.500 2.863 0.100) 2.908 7.979 ( -0.146 -1.716 0.068) 1.723 8.092 ( 0.323 1.971 -0.205) 2.007 8.179 ( 0.040 -1.362 -0.299) 1.394 8.747 ( -1.344 4.010 -0.357) 4.244 8.797 ( 0.057 3.245 -0.190) 3.251 8.928 ( 0.135 -3.690 -0.048) 3.693 8.981 ( -0.309 -3.824 1.700) 4.196 9.215 ( 3.748 0.097 -0.981) 3.876 9.296 ( -0.769 -1.029 -1.211) 1.766 9.388 ( 2.542 0.072 0.454) 2.584 9.411 ( 0.917 0.678 -0.825) 1.407 9.465 ( -0.510 1.946 -1.853) 2.735 9.487 ( -1.122 0.677 0.347) 1.355 9.626 ( -0.614 -2.167 1.307) 2.604 9.674 ( -0.139 -2.210 0.576) 2.288 9.699 ( 0.037 -0.336 1.427) 1.467 9.726 ( -0.076 -1.058 1.739) 2.037 9.970 ( -3.191 2.227 0.378) 3.910 9.983 ( -2.315 2.017 -0.869) 3.191 10.518 ( -0.167 -0.015 0.245) 0.297 10.527 ( 0.192 0.910 -0.160) 0.943 10.555 ( 1.221 -0.996 0.315) 1.607 10.574 ( 0.367 -0.499 -0.154) 0.638 10.740 ( -1.056 1.932 -0.579) 2.277 10.818 ( -0.621 3.485 -0.402) 3.562 10.842 ( -0.513 -1.486 -0.318) 1.603 10.933 ( 0.077 -1.668 0.238) 1.686 ======================= Grid point 7 (6/39) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 8.044 0.633 0.966) 8.127 0.568 ( 4.249 1.069 8.180) 9.280 0.664 ( -0.621 -1.098 -0.338) 1.306 0.698 ( -1.361 -2.650 -1.222) 3.220 0.730 ( -2.318 -3.211 1.161) 4.127 0.736 ( 0.031 1.240 -0.059) 1.242 0.788 ( -2.150 -1.831 -1.692) 3.292 0.797 ( -1.107 0.308 -1.301) 1.736 0.854 ( 0.955 -1.201 1.386) 2.067 0.859 ( 0.612 -0.811 0.166) 1.030 0.886 ( 0.749 -1.109 0.478) 1.421 0.905 ( 2.138 -1.662 -0.144) 2.711 0.916 ( -0.032 2.519 0.661) 2.604 0.930 ( 0.885 -0.368 -0.306) 1.007 0.944 ( -0.831 -0.350 -0.684) 1.132 0.965 ( -1.002 -1.361 0.113) 1.694 0.996 ( -0.111 -1.744 -0.145) 1.753 1.012 ( -1.077 -0.633 -0.833) 1.502 1.025 ( 0.557 0.073 0.249) 0.614 1.048 ( -0.649 -1.543 -0.137) 1.680 1.069 ( 0.848 0.604 -0.403) 1.116 1.088 ( 0.722 0.347 -0.569) 0.983 1.100 ( 0.088 0.360 0.401) 0.546 1.121 ( 2.116 0.871 0.822) 2.432 1.130 ( -0.482 -1.158 -0.517) 1.357 1.145 ( -0.149 0.663 0.097) 0.686 1.160 ( 0.563 -0.536 -0.130) 0.788 1.175 ( 1.036 -1.412 0.094) 1.754 1.200 ( -0.508 0.087 1.010) 1.134 1.210 ( -0.666 0.452 0.470) 0.932 1.243 ( -0.562 2.202 0.995) 2.481 1.264 ( -0.705 0.937 0.551) 1.295 1.270 ( -0.601 0.479 -1.369) 1.570 1.278 ( -0.194 -0.067 0.067) 0.216 1.307 ( 1.069 0.281 1.246) 1.666 1.321 ( 2.371 3.003 1.044) 3.966 1.347 ( 0.494 0.046 -0.574) 0.759 1.355 ( 0.986 0.195 -0.346) 1.063 1.369 ( -0.255 0.384 -0.375) 0.595 1.396 ( -1.597 1.686 0.604) 2.399 1.412 ( -0.661 0.104 -1.219) 1.390 1.434 ( -1.027 0.890 -0.279) 1.387 1.500 ( -1.731 -1.015 -0.767) 2.148 1.528 ( -0.696 1.587 0.718) 1.875 1.546 ( 0.837 0.033 -0.512) 0.982 1.556 ( -1.021 -0.453 0.628) 1.281 1.578 ( -0.927 0.096 0.172) 0.947 1.591 ( -0.217 -0.184 0.237) 0.370 1.620 ( -0.494 -0.932 -0.056) 1.056 1.634 ( -0.202 -1.416 0.896) 1.688 1.670 ( -0.166 2.497 -0.040) 2.503 1.721 ( 0.978 1.208 -0.209) 1.568 1.732 ( -0.177 1.358 -0.316) 1.405 1.754 ( -0.855 2.122 0.301) 2.307 1.806 ( 2.768 3.096 -1.179) 4.317 1.810 ( -0.697 -1.109 -0.442) 1.382 1.839 ( -0.040 2.135 0.320) 2.159 1.888 ( -0.327 0.326 -0.956) 1.061 1.904 ( -1.978 -1.112 0.790) 2.403 1.943 ( 1.008 -0.026 0.690) 1.222 1.966 ( 1.470 -0.398 0.485) 1.598 2.026 ( -0.661 -1.817 -0.545) 2.009 2.048 ( 0.759 -0.215 -0.355) 0.865 2.099 ( -0.287 -0.472 -0.323) 0.640 2.229 ( -1.689 -0.469 0.127) 1.757 2.256 ( -1.233 -0.059 -0.207) 1.251 2.268 ( 0.459 -1.711 -0.877) 1.977 2.282 ( -0.260 -2.442 -0.258) 2.470 2.285 ( -0.772 -1.637 1.153) 2.146 2.307 ( -1.294 -1.630 -1.140) 2.373 2.404 ( 0.055 1.549 -0.534) 1.639 2.436 ( -0.426 1.196 -0.431) 1.340 2.451 ( 0.117 1.693 -0.217) 1.711 2.533 ( 0.694 -2.196 -0.684) 2.403 2.545 ( 0.947 2.284 0.031) 2.472 2.596 ( 0.334 0.228 0.807) 0.903 2.728 ( 0.933 -0.048 -0.653) 1.139 2.751 ( 1.100 -0.495 -1.405) 1.852 2.762 ( -0.161 1.301 0.284) 1.341 2.791 ( 0.504 0.507 -0.519) 0.883 2.814 ( -0.319 0.125 0.555) 0.653 2.841 ( -0.249 -0.437 0.443) 0.670 2.853 ( 0.161 -0.353 0.641) 0.749 2.855 ( 0.229 -1.149 0.599) 1.316 2.992 ( -0.430 1.208 -0.050) 1.283 3.075 ( 0.533 -1.187 -0.527) 1.404 3.084 ( -1.217 2.282 1.386) 2.934 3.198 ( 0.188 -2.189 -0.345) 2.224 3.500 ( -0.400 1.174 0.225) 1.260 3.523 ( 0.664 2.662 1.262) 3.020 3.617 ( -0.566 -2.488 -0.678) 2.640 3.690 ( 0.144 -1.085 0.442) 1.181 3.800 ( -0.594 2.876 -0.681) 3.015 3.817 ( 0.428 1.089 0.239) 1.194 3.866 ( 0.150 1.144 0.655) 1.327 3.905 ( 0.333 -1.422 0.374) 1.507 3.952 ( -0.210 -1.728 -0.425) 1.792 4.040 ( 0.271 2.097 0.249) 2.129 4.099 ( -0.405 -5.996 -0.564) 6.036 4.120 ( -1.016 -3.293 -0.882) 3.558 4.432 ( -0.601 5.220 -0.049) 5.254 4.540 ( -0.837 5.915 0.455) 5.991 4.592 ( -0.391 -1.277 -0.573) 1.453 4.737 ( 0.633 1.898 0.431) 2.047 4.794 ( -0.663 3.692 -0.661) 3.809 5.173 ( 0.264 7.529 0.438) 7.546 5.275 ( 0.089 -9.659 0.114) 9.660 5.505 ( -0.759 0.979 0.020) 1.239 5.526 ( 0.452 0.599 0.793) 1.092 5.556 ( -0.753 -0.379 -2.226) 2.380 5.634 ( -0.216 -6.191 -0.477) 6.213 5.654 ( 0.208 -1.512 0.154) 1.534 5.668 ( 0.375 -0.362 -0.356) 0.631 5.736 ( -0.406 -5.948 2.310) 6.394 5.772 ( -0.567 3.630 -0.392) 3.695 5.864 ( -0.262 -2.537 -1.010) 2.743 5.947 ( 0.938 -0.570 0.069) 1.100 5.992 ( 0.146 -1.470 0.072) 1.479 6.304 ( 0.467 1.496 0.390) 1.615 6.348 ( 0.918 2.658 0.008) 2.813 6.418 ( -0.578 -0.484 0.751) 1.064 6.440 ( -0.335 -1.449 -0.493) 1.567 6.488 ( 0.423 1.520 0.569) 1.677 6.514 ( 0.027 -0.102 -0.905) 0.911 6.609 ( -0.158 4.359 -1.288) 4.548 6.626 ( -0.276 3.362 -1.772) 3.811 6.634 ( -1.755 2.190 0.406) 2.836 6.716 ( 0.524 -2.405 0.550) 2.522 6.771 ( -0.149 -1.355 1.419) 1.968 6.839 ( 1.602 -0.169 1.451) 2.168 6.890 ( -0.243 -1.107 -0.858) 1.421 6.927 ( -1.142 -4.033 1.021) 4.315 7.141 ( 0.063 3.029 -1.886) 3.569 7.277 ( 3.285 -1.567 2.581) 4.462 7.379 ( -0.237 0.513 -0.247) 0.617 7.389 ( 0.981 -0.033 -0.575) 1.137 7.474 ( 0.138 0.059 1.361) 1.369 7.499 ( -2.788 -1.252 -0.752) 3.147 7.693 ( 0.042 1.692 -0.013) 1.692 7.761 ( 0.551 -1.493 0.105) 1.595 7.867 ( 0.255 2.316 -0.078) 2.332 7.977 ( -0.069 -1.742 0.059) 1.745 8.094 ( 0.177 2.112 -0.219) 2.130 8.176 ( 0.011 -1.194 -0.214) 1.213 8.731 ( -0.386 4.005 0.017) 4.024 8.798 ( 0.059 3.307 -0.035) 3.308 8.927 ( -0.037 -3.630 -0.033) 3.630 8.991 ( -0.034 -3.844 0.566) 3.885 9.253 ( 1.512 0.141 -0.776) 1.705 9.276 ( -0.218 -0.084 -0.829) 0.861 9.391 ( -0.336 1.848 -0.181) 1.887 9.450 ( 1.396 -0.963 -0.625) 1.807 9.467 ( 1.113 0.016 0.501) 1.221 9.483 ( -0.189 -0.230 0.533) 0.611 9.614 ( -0.872 -1.260 0.263) 1.554 9.677 ( -0.126 -2.642 0.478) 2.688 9.708 ( -0.116 -0.410 0.419) 0.598 9.733 ( -0.370 -0.616 0.648) 0.968 9.932 ( -1.104 2.940 0.568) 3.191 9.944 ( -1.016 1.384 -0.782) 1.887 10.519 ( 0.003 0.143 0.124) 0.190 10.529 ( 0.064 1.141 -0.041) 1.144 10.577 ( 0.444 -1.085 -0.078) 1.175 10.582 ( 0.570 -1.295 0.247) 1.437 10.720 ( -0.544 1.672 -0.281) 1.781 10.808 ( -0.242 3.990 -0.081) 3.998 10.830 ( -0.325 -1.800 -0.231) 1.843 10.934 ( -0.046 -1.549 0.032) 1.550 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 -9.366 0.000) 9.366 0.482 ( 0.000 9.366 0.000) 9.366 0.512 ( 0.000 -8.871 0.000) 8.871 0.512 ( 0.000 8.871 0.000) 8.871 0.772 ( 0.000 -0.890 0.000) 0.890 0.772 ( 0.000 0.890 0.000) 0.890 0.819 ( 0.000 -1.920 0.000) 1.920 0.819 ( 0.000 1.920 0.000) 1.920 0.855 ( 0.000 -1.287 0.000) 1.287 0.855 ( 0.000 1.287 0.000) 1.287 0.868 ( 0.000 -2.135 0.000) 2.135 0.868 ( 0.000 2.135 0.000) 2.135 0.929 ( 0.000 -2.393 0.000) 2.393 0.929 ( 0.000 2.393 0.000) 2.393 0.990 ( 0.000 -1.216 0.000) 1.216 0.990 ( 0.000 1.216 0.000) 1.216 1.017 ( 0.000 -3.083 0.000) 3.083 1.017 ( 0.000 3.083 0.000) 3.083 1.056 ( 0.000 -0.647 0.000) 0.647 1.056 ( 0.000 0.647 0.000) 0.647 1.071 ( 0.000 -0.611 0.000) 0.611 1.071 ( 0.000 0.611 0.000) 0.611 1.086 ( 0.000 -0.306 0.000) 0.306 1.086 ( 0.000 0.306 0.000) 0.306 1.115 ( 0.000 -1.389 0.000) 1.389 1.115 ( 0.000 1.389 0.000) 1.389 1.156 ( 0.000 -0.629 0.000) 0.629 1.156 ( 0.000 0.629 0.000) 0.629 1.194 ( 0.000 -0.361 0.000) 0.361 1.194 ( 0.000 0.361 0.000) 0.361 1.226 ( 0.000 -0.135 0.000) 0.135 1.226 ( 0.000 0.135 0.000) 0.135 1.296 ( 0.000 -3.432 0.000) 3.432 1.296 ( 0.000 3.432 0.000) 3.432 1.329 ( 0.000 -0.909 0.000) 0.909 1.329 ( 0.000 0.909 0.000) 0.909 1.353 ( 0.000 -1.430 0.000) 1.430 1.353 ( 0.000 1.430 0.000) 1.430 1.409 ( 0.000 -2.992 0.000) 2.992 1.409 ( 0.000 2.992 0.000) 2.992 1.430 ( 0.000 -1.942 0.000) 1.942 1.430 ( 0.000 1.942 0.000) 1.942 1.474 ( 0.000 -0.688 0.000) 0.688 1.474 ( 0.000 0.688 0.000) 0.688 1.555 ( 0.000 -0.904 0.000) 0.904 1.555 ( 0.000 0.904 0.000) 0.904 1.638 ( 0.000 -0.670 0.000) 0.670 1.638 ( 0.000 0.670 0.000) 0.670 1.684 ( 0.000 -0.335 0.000) 0.335 1.684 ( 0.000 0.335 0.000) 0.335 1.727 ( 0.000 -0.222 0.000) 0.222 1.727 ( 0.000 0.222 0.000) 0.222 1.742 ( 0.000 -1.709 0.000) 1.709 1.742 ( 0.000 1.709 0.000) 1.709 1.756 ( 0.000 -3.155 0.000) 3.155 1.756 ( 0.000 3.155 0.000) 3.155 1.841 ( 0.000 -3.929 0.000) 3.929 1.841 ( 0.000 3.929 0.000) 3.929 1.901 ( 0.000 -0.477 0.000) 0.477 1.901 ( 0.000 0.477 0.000) 0.477 1.980 ( 0.000 -1.883 0.000) 1.883 1.980 ( 0.000 1.883 0.000) 1.883 2.116 ( 0.000 -3.420 0.000) 3.420 2.116 ( 0.000 3.420 0.000) 3.420 2.253 ( 0.000 -0.148 0.000) 0.148 2.253 ( 0.000 0.148 0.000) 0.148 2.309 ( 0.000 -0.021 0.000) 0.021 2.309 ( 0.000 0.021 0.000) 0.021 2.335 ( 0.000 -0.473 0.000) 0.473 2.335 ( 0.000 0.473 0.000) 0.473 2.428 ( 0.000 -1.298 0.000) 1.298 2.428 ( 0.000 1.298 0.000) 1.298 2.475 ( 0.000 -0.618 0.000) 0.618 2.475 ( 0.000 0.618 0.000) 0.618 2.545 ( 0.000 -2.271 0.000) 2.271 2.545 ( 0.000 2.271 0.000) 2.271 2.710 ( 0.000 -2.260 0.000) 2.260 2.710 ( 0.000 2.260 0.000) 2.260 2.792 ( 0.000 -0.510 0.000) 0.510 2.792 ( 0.000 0.510 0.000) 0.510 2.813 ( 0.000 -0.010 0.000) 0.010 2.813 ( 0.000 0.010 0.000) 0.010 2.834 ( 0.000 -0.216 0.000) 0.216 2.834 ( 0.000 0.216 0.000) 0.216 3.034 ( 0.000 -1.495 0.000) 1.495 3.034 ( 0.000 1.495 0.000) 1.495 3.146 ( 0.000 -2.703 0.000) 2.703 3.146 ( 0.000 2.703 0.000) 2.703 3.479 ( 0.000 -1.729 0.000) 1.729 3.479 ( 0.000 1.729 0.000) 1.729 3.650 ( 0.000 -0.185 0.000) 0.185 3.650 ( 0.000 0.185 0.000) 0.185 3.819 ( 0.000 -0.943 0.000) 0.943 3.819 ( 0.000 0.943 0.000) 0.943 3.933 ( 0.000 -3.029 0.000) 3.029 3.933 ( 0.000 3.029 0.000) 3.029 3.979 ( 0.000 -6.875 0.000) 6.875 3.979 ( 0.000 6.875 0.000) 6.875 4.097 ( 0.000 -3.876 0.000) 3.876 4.097 ( 0.000 3.876 0.000) 3.876 4.546 ( 0.000 -3.114 0.000) 3.114 4.546 ( 0.000 3.114 0.000) 3.114 4.681 ( 0.000 -0.982 0.000) 0.982 4.681 ( 0.000 0.982 0.000) 0.982 5.050 ( 0.000 -10.019 0.000) 10.019 5.050 ( 0.000 10.019 0.000) 10.019 5.395 ( 0.000 -13.421 0.000) 13.421 5.395 ( 0.000 13.421 0.000) 13.421 5.571 ( 0.000 -2.365 0.000) 2.365 5.571 ( 0.000 2.365 0.000) 2.365 5.600 ( 0.000 -2.651 0.000) 2.651 5.600 ( 0.000 2.651 0.000) 2.651 5.653 ( 0.000 -0.025 0.000) 0.025 5.653 ( 0.000 0.025 0.000) 0.025 5.860 ( 0.000 -0.220 0.000) 0.220 5.860 ( 0.000 0.220 0.000) 0.220 5.917 ( 0.000 -2.746 0.000) 2.746 5.917 ( 0.000 2.746 0.000) 2.746 6.307 ( 0.000 -1.045 0.000) 1.045 6.307 ( 0.000 1.045 0.000) 1.045 6.438 ( 0.000 -1.284 0.000) 1.284 6.438 ( 0.000 1.284 0.000) 1.284 6.531 ( 0.000 -2.233 0.000) 2.233 6.531 ( 0.000 2.233 0.000) 2.233 6.615 ( 0.000 -2.806 0.000) 2.806 6.615 ( 0.000 2.806 0.000) 2.806 6.735 ( 0.000 -0.059 0.000) 0.059 6.735 ( 0.000 0.059 0.000) 0.059 6.802 ( 0.000 -0.353 0.000) 0.353 6.802 ( 0.000 0.353 0.000) 0.353 6.861 ( 0.000 -2.910 0.000) 2.910 6.861 ( 0.000 2.910 0.000) 2.910 7.150 ( 0.000 -2.014 0.000) 2.014 7.150 ( 0.000 2.014 0.000) 2.014 7.340 ( 0.000 -0.090 0.000) 0.090 7.340 ( 0.000 0.090 0.000) 0.090 7.527 ( 0.000 -3.903 0.000) 3.903 7.527 ( 0.000 3.903 0.000) 3.903 7.732 ( 0.000 -0.380 0.000) 0.380 7.732 ( 0.000 0.380 0.000) 0.380 7.926 ( 0.000 -3.220 0.000) 3.220 7.926 ( 0.000 3.220 0.000) 3.220 8.137 ( 0.000 -2.381 0.000) 2.381 8.137 ( 0.000 2.381 0.000) 2.381 8.838 ( 0.000 -3.762 0.000) 3.762 8.838 ( 0.000 3.762 0.000) 3.762 8.886 ( 0.000 -4.297 0.000) 4.297 8.886 ( 0.000 4.297 0.000) 4.297 9.245 ( 0.000 -3.993 0.000) 3.993 9.245 ( 0.000 3.993 0.000) 3.993 9.381 ( 0.000 -1.904 0.000) 1.904 9.381 ( 0.000 1.904 0.000) 1.904 9.520 ( 0.000 -2.161 0.000) 2.161 9.520 ( 0.000 2.161 0.000) 2.161 9.623 ( 0.000 -2.631 0.000) 2.631 9.623 ( 0.000 2.631 0.000) 2.631 9.694 ( 0.000 -0.375 0.000) 0.375 9.694 ( 0.000 0.375 0.000) 0.375 10.022 ( 0.000 -1.103 0.000) 1.103 10.022 ( 0.000 1.103 0.000) 1.103 10.519 ( 0.000 -0.216 0.000) 0.216 10.519 ( 0.000 0.216 0.000) 0.216 10.556 ( 0.000 -1.014 0.000) 1.014 10.556 ( 0.000 1.014 0.000) 1.014 10.807 ( 0.000 -2.285 0.000) 2.285 10.807 ( 0.000 2.285 0.000) 2.285 10.888 ( 0.000 -2.327 0.000) 2.327 10.888 ( 0.000 2.327 0.000) 2.327 ======================= Grid point 12 (8/39) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -0.293 -2.619 3.569) 4.437 0.474 ( -0.293 2.619 3.569) 4.437 0.586 ( 3.854 -2.158 1.709) 4.736 0.586 ( 3.854 2.158 1.709) 4.736 0.765 ( -1.237 -1.121 1.264) 2.094 0.765 ( -1.237 1.121 1.264) 2.094 0.796 ( -0.572 -1.280 -2.171) 2.584 0.796 ( -0.572 1.280 -2.171) 2.584 0.837 ( -1.451 -0.626 1.042) 1.893 0.837 ( -1.451 0.626 1.042) 1.893 0.876 ( -0.128 -0.777 -1.181) 1.420 0.876 ( -0.128 0.777 -1.181) 1.420 0.935 ( 1.563 -1.231 -0.766) 2.132 0.935 ( 1.563 1.231 -0.766) 2.132 0.986 ( -0.713 -1.155 0.087) 1.360 0.986 ( -0.713 1.155 0.087) 1.360 1.006 ( -1.235 -1.151 -1.151) 2.044 1.006 ( -1.235 1.151 -1.151) 2.044 1.052 ( -0.410 -0.980 0.374) 1.126 1.052 ( -0.410 0.980 0.374) 1.126 1.075 ( 0.145 -1.257 0.192) 1.279 1.075 ( 0.145 1.257 0.192) 1.279 1.092 ( 0.664 -0.680 1.350) 1.650 1.092 ( 0.664 0.680 1.350) 1.650 1.128 ( 1.027 -0.349 -0.954) 1.444 1.128 ( 1.027 0.349 -0.954) 1.444 1.146 ( -0.137 -1.822 -0.935) 2.052 1.146 ( -0.137 1.822 -0.935) 2.052 1.207 ( 0.417 -0.737 0.495) 0.981 1.207 ( 0.417 0.737 0.495) 0.981 1.248 ( 0.473 -0.322 2.261) 2.333 1.248 ( 0.473 0.322 2.261) 2.333 1.293 ( -0.202 -0.705 -0.564) 0.925 1.293 ( -0.202 0.705 -0.564) 0.925 1.323 ( 0.052 -2.266 -0.056) 2.268 1.323 ( 0.052 2.266 -0.056) 2.268 1.344 ( -0.159 -1.093 -0.431) 1.186 1.344 ( -0.159 1.093 -0.431) 1.186 1.411 ( 0.212 -2.791 -1.069) 2.996 1.411 ( 0.212 2.791 -1.069) 2.996 1.435 ( 0.917 -3.312 1.048) 3.593 1.435 ( 0.917 3.312 1.048) 3.593 1.476 ( -0.161 -1.218 0.450) 1.308 1.476 ( -0.161 1.218 0.450) 1.308 1.558 ( -0.645 -1.225 1.318) 1.911 1.558 ( -0.645 1.225 1.318) 1.911 1.619 ( -1.892 -1.719 0.384) 2.585 1.619 ( -1.892 1.719 0.384) 2.585 1.646 ( -3.042 -0.532 0.277) 3.100 1.646 ( -3.042 0.532 0.277) 3.100 1.716 ( 0.001 -1.100 0.839) 1.383 1.716 ( 0.001 1.100 0.839) 1.383 1.752 ( 0.669 -3.507 -1.221) 3.774 1.752 ( 0.669 3.507 -1.221) 3.774 1.794 ( 2.889 -0.510 0.021) 2.934 1.794 ( 2.889 0.510 0.021) 2.934 1.845 ( 0.142 -3.431 -0.131) 3.436 1.845 ( 0.142 3.431 -0.131) 3.436 1.920 ( 1.343 -1.106 0.304) 1.766 1.920 ( 1.343 1.106 0.304) 1.766 1.981 ( 0.198 -2.219 -0.246) 2.241 1.981 ( 0.198 2.219 -0.246) 2.241 2.102 ( -0.916 -2.982 -1.039) 3.288 2.102 ( -0.916 2.982 -1.039) 3.288 2.245 ( -0.943 -0.676 0.231) 1.183 2.245 ( -0.943 0.676 0.231) 1.183 2.284 ( -1.561 -0.554 -1.218) 2.056 2.284 ( -1.561 0.554 -1.218) 2.056 2.310 ( -1.907 -0.913 -0.074) 2.115 2.310 ( -1.907 0.913 -0.074) 2.115 2.440 ( 0.085 -1.208 0.621) 1.361 2.440 ( 0.085 1.208 0.621) 1.361 2.479 ( 1.431 -1.883 -1.792) 2.967 2.479 ( 1.431 1.883 -1.792) 2.967 2.563 ( 1.182 -1.377 0.744) 1.962 2.563 ( 1.182 1.377 0.744) 1.962 2.716 ( 1.308 -1.313 -0.877) 2.050 2.716 ( 1.308 1.313 -0.877) 2.050 2.789 ( 0.388 -0.323 -0.824) 0.966 2.789 ( 0.388 0.323 -0.824) 0.966 2.823 ( -0.182 -0.551 1.277) 1.402 2.823 ( -0.182 0.551 1.277) 1.402 2.836 ( -0.179 -0.132 0.762) 0.794 2.836 ( -0.179 0.132 0.762) 0.794 3.033 ( -0.362 -1.813 0.580) 1.937 3.033 ( -0.362 1.813 0.580) 1.937 3.144 ( -0.354 -2.623 0.285) 2.662 3.144 ( -0.354 2.623 0.285) 2.662 3.507 ( 1.206 -1.409 1.770) 2.564 3.507 ( 1.206 1.409 1.770) 2.564 3.640 ( -0.951 -1.283 0.106) 1.600 3.640 ( -0.951 1.283 0.106) 1.600 3.828 ( 0.688 -1.219 0.308) 1.433 3.828 ( 0.688 1.219 0.308) 1.433 3.916 ( -0.717 -3.355 -1.637) 3.802 3.916 ( -0.717 3.355 -1.637) 3.802 3.975 ( -0.146 -6.474 -0.355) 6.485 3.975 ( -0.146 6.474 -0.355) 6.485 4.087 ( -0.620 -2.907 -0.464) 3.009 4.087 ( -0.620 2.907 -0.464) 3.009 4.541 ( -0.543 -3.311 0.149) 3.359 4.541 ( -0.543 3.311 0.149) 3.359 4.675 ( -0.577 -3.007 0.043) 3.062 4.675 ( -0.577 3.007 0.043) 3.062 5.033 ( -0.958 -11.666 -0.526) 11.717 5.033 ( -0.958 11.666 -0.526) 11.717 5.397 ( 0.118 -13.162 0.187) 13.164 5.397 ( 0.118 13.162 0.187) 13.164 5.544 ( -0.998 -0.671 -1.485) 1.910 5.544 ( -0.998 0.671 -1.485) 1.910 5.602 ( 0.184 -1.524 -0.758) 1.712 5.602 ( 0.184 1.524 -0.758) 1.712 5.660 ( -0.352 -0.582 1.599) 1.737 5.660 ( -0.352 0.582 1.599) 1.737 5.864 ( -0.454 -2.915 0.766) 3.048 5.864 ( -0.454 2.915 0.766) 3.048 5.925 ( 1.435 -2.548 -1.101) 3.125 5.925 ( 1.435 2.548 -1.101) 3.125 6.316 ( 1.130 -1.428 0.137) 1.826 6.316 ( 1.130 1.428 0.137) 1.826 6.430 ( -0.683 -1.142 -0.130) 1.337 6.430 ( -0.683 1.142 -0.130) 1.337 6.512 ( 0.257 -1.301 -1.614) 2.089 6.512 ( 0.257 1.301 -1.614) 2.089 6.660 ( -1.029 -1.309 5.006) 5.276 6.660 ( -1.029 1.309 5.006) 5.276 6.717 ( 0.735 -1.683 -3.320) 3.794 6.717 ( 0.735 1.683 -3.320) 3.794 6.804 ( 0.088 -5.741 -0.400) 5.755 6.804 ( 0.088 5.741 -0.400) 5.755 6.848 ( -1.153 -3.245 1.290) 3.678 6.848 ( -1.153 3.245 1.290) 3.678 7.174 ( 2.156 -0.630 0.271) 2.263 7.174 ( 2.156 0.630 0.271) 2.263 7.363 ( 1.901 -0.415 0.052) 1.947 7.363 ( 1.901 0.415 0.052) 1.947 7.506 ( -2.332 -2.969 0.827) 3.865 7.506 ( -2.332 2.969 0.827) 3.865 7.731 ( 0.137 -0.992 -0.449) 1.098 7.731 ( 0.137 0.992 -0.449) 1.098 7.926 ( 0.118 -3.045 -0.214) 3.055 7.926 ( 0.118 3.045 -0.214) 3.055 8.139 ( 0.241 -2.210 -0.164) 2.230 8.139 ( 0.241 2.210 -0.164) 2.230 8.836 ( -0.132 -4.334 -0.214) 4.341 8.836 ( -0.132 4.334 -0.214) 4.341 8.887 ( -0.225 -4.590 0.642) 4.640 8.887 ( -0.225 4.590 0.642) 4.640 9.253 ( 1.109 -2.512 -0.690) 2.832 9.253 ( 1.109 2.512 -0.690) 2.832 9.404 ( 1.983 -1.041 0.063) 2.240 9.404 ( 1.983 1.041 0.063) 2.240 9.492 ( -1.706 -0.694 -0.779) 2.000 9.492 ( -1.706 0.694 -0.779) 2.000 9.624 ( -0.364 -1.817 0.635) 1.959 9.624 ( -0.364 1.817 0.635) 1.959 9.705 ( 0.280 -0.750 0.972) 1.259 9.705 ( 0.280 0.750 0.972) 1.259 9.997 ( -2.053 -0.642 -0.261) 2.166 9.997 ( -2.053 0.642 -0.261) 2.166 10.526 ( 0.616 -0.905 0.069) 1.097 10.526 ( 0.616 0.906 0.069) 1.097 10.557 ( 0.135 -1.060 -0.048) 1.070 10.557 ( 0.135 1.060 -0.048) 1.070 10.794 ( -0.779 -2.647 -0.594) 2.823 10.794 ( -0.779 2.647 -0.594) 2.823 10.887 ( -0.136 -2.680 0.058) 2.684 10.887 ( -0.136 2.680 0.058) 2.684 ======================= Grid point 14 (9/39) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 3.355 -4.188 3.566) 6.443 0.548 ( 3.355 4.188 3.566) 6.443 0.638 ( -0.675 -1.200 -0.378) 1.428 0.638 ( -0.675 1.200 -0.378) 1.428 0.736 ( -1.615 -2.271 -0.146) 2.791 0.736 ( -1.615 2.271 -0.146) 2.791 0.780 ( -0.016 -1.812 -0.084) 1.814 0.780 ( -0.016 1.812 -0.084) 1.814 0.841 ( 0.918 -0.597 1.495) 1.853 0.841 ( 0.918 0.597 1.495) 1.853 0.873 ( 0.326 -0.700 -0.432) 0.885 0.873 ( 0.326 0.700 -0.432) 0.885 0.927 ( -0.860 -0.684 -1.239) 1.656 0.927 ( -0.860 0.684 -1.239) 1.656 0.966 ( -0.312 -1.026 -0.823) 1.352 0.966 ( -0.312 1.026 -0.823) 1.352 0.981 ( -0.927 -2.591 0.283) 2.767 0.981 ( -0.927 2.591 0.283) 2.767 1.029 ( -0.851 -0.597 -0.806) 1.315 1.029 ( -0.851 0.597 -0.806) 1.315 1.088 ( 1.069 -1.031 -0.894) 1.733 1.088 ( 1.069 1.031 -0.894) 1.733 1.104 ( -0.960 -0.417 0.338) 1.100 1.104 ( -0.960 0.417 0.338) 1.100 1.140 ( 0.960 -0.685 0.050) 1.180 1.140 ( 0.960 0.685 0.050) 1.180 1.155 ( 1.341 -0.365 0.549) 1.495 1.155 ( 1.341 0.365 0.549) 1.495 1.208 ( -0.672 -0.574 0.494) 1.012 1.208 ( -0.672 0.574 0.494) 1.012 1.259 ( -0.471 -0.662 0.174) 0.831 1.259 ( -0.471 0.662 0.174) 0.831 1.293 ( 0.033 -1.492 0.392) 1.543 1.293 ( 0.033 1.492 0.392) 1.543 1.321 ( 0.030 -1.761 -0.184) 1.771 1.321 ( 0.030 1.761 -0.184) 1.771 1.350 ( 0.445 -0.692 -0.149) 0.837 1.350 ( 0.445 0.692 -0.149) 0.837 1.396 ( -0.060 -0.957 -0.444) 1.057 1.396 ( -0.060 0.957 -0.444) 1.057 1.463 ( -1.109 -2.017 -0.008) 2.302 1.463 ( -1.109 2.017 -0.008) 2.302 1.488 ( 1.722 -3.495 1.450) 4.157 1.488 ( 1.722 3.495 1.450) 4.157 1.563 ( 0.565 -0.753 0.252) 0.975 1.563 ( 0.565 0.753 0.252) 0.975 1.599 ( -2.520 -1.599 0.246) 2.994 1.599 ( -2.520 1.599 0.246) 2.994 1.603 ( -0.065 -1.946 0.382) 1.985 1.603 ( -0.065 1.946 0.382) 1.985 1.722 ( -0.376 -1.706 0.289) 1.771 1.722 ( -0.376 1.706 0.289) 1.771 1.754 ( 0.529 -2.118 -0.088) 2.185 1.754 ( 0.529 2.118 -0.088) 2.185 1.833 ( 0.492 -2.833 -0.264) 2.887 1.833 ( 0.492 2.833 -0.264) 2.887 1.860 ( 2.411 -1.477 -0.355) 2.850 1.860 ( 2.411 1.477 -0.355) 2.850 1.935 ( -0.536 -1.017 0.932) 1.480 1.935 ( -0.536 1.017 0.932) 1.480 1.978 ( -0.170 -1.922 -0.700) 2.053 1.978 ( -0.170 1.922 -0.700) 2.053 2.070 ( -0.820 -2.126 -0.767) 2.404 2.070 ( -0.820 2.126 -0.767) 2.404 2.226 ( -0.765 -0.946 -0.346) 1.265 2.226 ( -0.765 0.946 -0.346) 1.265 2.250 ( -0.660 -0.445 -0.410) 0.895 2.250 ( -0.660 0.445 -0.410) 0.895 2.283 ( -0.887 -0.736 0.181) 1.166 2.283 ( -0.887 0.736 0.181) 1.166 2.435 ( -0.338 -1.069 -0.309) 1.163 2.435 ( -0.338 1.069 -0.309) 1.163 2.489 ( 0.793 -1.896 -0.691) 2.168 2.489 ( 0.793 1.896 -0.691) 2.168 2.588 ( 0.431 -1.176 0.632) 1.403 2.588 ( 0.431 1.176 0.632) 1.403 2.734 ( 1.292 -0.675 -0.915) 1.721 2.734 ( 1.292 0.675 -0.915) 1.721 2.788 ( 0.038 -0.824 -0.151) 0.838 2.788 ( 0.038 0.824 -0.151) 0.838 2.827 ( -0.345 -0.822 0.601) 1.075 2.827 ( -0.345 0.822 0.601) 1.075 2.844 ( 0.102 -0.233 0.565) 0.619 2.844 ( 0.102 0.233 0.565) 0.619 3.032 ( -0.273 -2.216 0.357) 2.261 3.032 ( -0.273 2.216 0.357) 2.261 3.142 ( -0.108 -2.783 0.182) 2.791 3.142 ( -0.108 2.783 0.182) 2.791 3.537 ( 0.276 -2.105 0.831) 2.279 3.537 ( 0.276 2.105 0.831) 2.279 3.628 ( -0.354 -3.835 0.146) 3.854 3.628 ( -0.354 3.835 0.146) 3.854 3.844 ( 0.448 -1.547 0.322) 1.642 3.844 ( 0.448 1.547 0.322) 1.642 3.885 ( -0.596 -4.095 -1.216) 4.313 3.885 ( -0.596 4.095 -1.216) 4.313 3.969 ( -0.096 -5.556 -0.173) 5.560 3.969 ( -0.096 5.556 -0.173) 5.560 4.074 ( -0.252 -1.384 -0.191) 1.420 4.074 ( -0.252 1.384 -0.191) 1.420 4.532 ( -0.405 -3.779 0.016) 3.801 4.532 ( -0.405 3.779 0.016) 3.801 4.666 ( -0.359 -5.018 0.023) 5.031 4.666 ( -0.359 5.018 0.023) 5.031 5.018 ( -0.243 -12.904 -0.190) 12.908 5.018 ( -0.243 12.904 -0.190) 12.908 5.402 ( 0.066 -12.859 0.353) 12.864 5.402 ( 0.066 12.859 0.353) 12.864 5.518 ( -0.390 -0.582 -0.715) 1.001 5.518 ( -0.390 0.582 -0.715) 1.001 5.595 ( 0.021 -3.032 -0.614) 3.093 5.595 ( 0.021 3.032 -0.614) 3.093 5.668 ( -0.237 -0.547 0.871) 1.056 5.668 ( -0.237 0.547 0.871) 1.056 5.857 ( -0.487 -2.018 0.056) 2.077 5.857 ( -0.487 2.018 0.056) 2.077 5.940 ( 0.870 -1.413 -0.487) 1.729 5.940 ( 0.870 1.413 -0.487) 1.729 6.344 ( 0.967 -1.872 0.400) 2.144 6.344 ( 0.967 1.872 0.400) 2.144 6.417 ( -0.422 -0.555 -0.046) 0.698 6.417 ( -0.422 0.555 -0.046) 0.698 6.511 ( 0.285 -0.421 -0.123) 0.523 6.511 ( 0.285 0.421 -0.123) 0.523 6.651 ( -0.981 -1.088 -0.343) 1.505 6.651 ( -0.981 1.088 -0.343) 1.505 6.713 ( 0.175 -3.220 -0.176) 3.230 6.713 ( 0.175 3.220 -0.176) 3.230 6.784 ( -1.026 -7.101 -0.139) 7.176 6.784 ( -1.026 7.101 -0.139) 7.176 6.865 ( 0.565 -0.722 0.961) 1.328 6.865 ( 0.565 0.722 0.961) 1.328 7.219 ( 1.769 -3.664 0.152) 4.071 7.219 ( 1.769 3.664 0.152) 4.071 7.387 ( 0.375 -0.210 -0.073) 0.436 7.387 ( 0.375 0.210 -0.073) 0.436 7.480 ( -0.972 -0.559 0.691) 1.317 7.480 ( -0.972 0.559 0.691) 1.317 7.728 ( -0.006 -1.561 -0.186) 1.572 7.728 ( -0.006 1.561 -0.186) 1.572 7.926 ( 0.055 -2.875 -0.128) 2.878 7.926 ( 0.055 2.875 -0.128) 2.878 8.141 ( 0.121 -2.028 -0.160) 2.037 8.141 ( 0.121 2.028 -0.160) 2.037 8.831 ( -0.159 -4.975 -0.085) 4.979 8.831 ( -0.159 4.975 -0.085) 4.979 8.890 ( -0.014 -4.970 0.324) 4.981 8.890 ( -0.014 4.970 0.324) 4.981 9.266 ( 0.780 -0.781 -0.475) 1.202 9.266 ( 0.780 0.781 -0.475) 1.202 9.427 ( 0.440 -1.360 -0.660) 1.575 9.427 ( 0.440 1.360 -0.660) 1.575 9.473 ( -0.125 -0.534 0.587) 0.803 9.473 ( -0.125 0.534 0.587) 0.803 9.623 ( -0.281 -1.968 0.340) 2.016 9.623 ( -0.281 1.968 0.340) 2.016 9.715 ( -0.003 -0.838 0.366) 0.915 9.715 ( -0.003 0.838 0.366) 0.915 9.962 ( -1.067 -0.368 -0.149) 1.138 9.962 ( -1.067 0.368 -0.149) 1.138 10.538 ( 0.382 -1.645 0.052) 1.689 10.538 ( 0.382 1.645 0.052) 1.689 10.559 ( 0.064 -1.275 -0.020) 1.277 10.559 ( 0.064 1.275 -0.020) 1.277 10.776 ( -0.429 -2.977 -0.313) 3.024 10.776 ( -0.429 2.977 -0.313) 3.024 10.885 ( -0.084 -3.008 0.022) 3.009 10.885 ( -0.084 3.008 0.022) 3.009 ======================= Grid point 25 (10/39) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( -2.824 0.000 10.682) 11.049 0.242 ( 2.221 0.000 11.830) 12.036 0.560 ( -3.205 0.000 24.864) 25.070 0.665 ( 2.471 0.000 -4.789) 5.389 0.688 ( 1.053 0.000 0.282) 1.090 0.744 ( -0.600 0.000 -2.966) 3.026 0.759 ( 0.508 0.000 0.474) 0.695 0.820 ( 1.846 0.000 -1.807) 2.583 0.843 ( 0.607 0.000 0.535) 0.809 0.872 ( -1.741 0.000 -3.633) 4.028 0.875 ( -0.618 0.000 1.894) 1.992 0.910 ( 0.097 0.000 -0.182) 0.206 0.925 ( -1.793 0.000 0.528) 1.869 0.962 ( 1.355 0.000 1.350) 1.913 0.975 ( 0.198 0.000 0.196) 0.279 1.005 ( 0.069 0.000 0.791) 0.794 1.008 ( -0.631 0.000 1.689) 1.803 1.024 ( -0.678 0.000 -0.524) 0.857 1.038 ( 0.837 0.000 -0.061) 0.839 1.058 ( -0.900 0.000 1.820) 2.031 1.062 ( 1.102 0.000 0.702) 1.306 1.085 ( 0.307 0.000 -0.907) 0.958 1.098 ( 0.378 0.000 0.522) 0.644 1.107 ( -1.389 0.000 -1.794) 2.268 1.136 ( -0.383 0.000 1.272) 1.329 1.137 ( -0.312 0.000 -0.424) 0.527 1.150 ( -0.425 0.000 -0.019) 0.425 1.175 ( 2.648 0.000 0.154) 2.653 1.179 ( 0.374 0.000 0.131) 0.396 1.206 ( -0.217 0.000 0.371) 0.430 1.225 ( -0.049 0.000 1.922) 1.923 1.255 ( -1.951 0.000 0.095) 1.953 1.271 ( 0.421 0.000 -0.222) 0.476 1.277 ( 1.233 0.000 0.077) 1.235 1.306 ( -0.335 0.000 2.031) 2.059 1.340 ( -0.786 0.000 0.871) 1.173 1.383 ( -1.203 0.000 0.431) 1.278 1.401 ( -0.421 0.000 -2.553) 2.588 1.415 ( -1.335 0.000 -3.089) 3.365 1.423 ( -1.212 0.000 -2.026) 2.361 1.439 ( -2.599 0.000 -0.527) 2.652 1.460 ( -0.380 0.000 -1.146) 1.207 1.477 ( 1.226 0.000 0.744) 1.434 1.509 ( 1.842 0.000 1.845) 2.607 1.537 ( 0.867 0.000 1.349) 1.604 1.589 ( 3.010 0.000 -0.007) 3.010 1.595 ( 1.516 0.000 -0.771) 1.701 1.640 ( -2.040 0.000 -1.041) 2.290 1.647 ( 1.447 0.000 1.292) 1.940 1.660 ( -0.082 0.000 2.504) 2.505 1.678 ( -0.873 0.000 0.717) 1.130 1.708 ( -0.216 0.000 -0.313) 0.380 1.716 ( -1.065 0.000 0.242) 1.092 1.738 ( -1.810 0.000 -0.436) 1.862 1.748 ( -1.936 0.000 -0.355) 1.968 1.781 ( 0.812 0.000 1.133) 1.394 1.824 ( 1.686 0.000 1.430) 2.211 1.870 ( 0.677 0.000 -1.170) 1.352 1.947 ( -0.546 0.000 1.640) 1.728 1.967 ( -0.054 0.000 2.793) 2.794 2.013 ( -0.571 0.000 -0.197) 0.604 2.019 ( -4.989 0.000 1.713) 5.275 2.033 ( -1.529 0.000 0.886) 1.767 2.109 ( 0.500 0.000 -0.111) 0.512 2.240 ( 1.096 0.000 -2.554) 2.779 2.288 ( 0.924 0.000 -0.639) 1.123 2.310 ( 0.184 0.000 -3.581) 3.586 2.313 ( 2.532 0.000 0.268) 2.546 2.334 ( -1.225 0.000 -2.093) 2.425 2.364 ( 1.429 0.000 0.370) 1.476 2.377 ( 0.167 0.000 0.881) 0.897 2.422 ( -0.600 0.000 -1.291) 1.424 2.462 ( -1.452 0.000 -0.430) 1.515 2.516 ( -1.402 0.000 -1.077) 1.768 2.518 ( 1.049 0.000 1.103) 1.523 2.533 ( -1.634 0.000 0.514) 1.713 2.699 ( 2.174 0.000 -0.738) 2.296 2.724 ( -0.711 0.000 -2.225) 2.336 2.747 ( 0.310 0.000 -1.210) 1.249 2.748 ( -0.337 0.000 -1.485) 1.523 2.824 ( -0.170 0.000 0.193) 0.258 2.829 ( 1.076 0.000 1.419) 1.781 2.843 ( 0.779 0.000 -0.253) 0.819 2.858 ( -0.231 0.000 0.782) 0.815 2.971 ( 0.975 0.000 -1.477) 1.770 3.046 ( 1.165 0.000 -1.234) 1.697 3.124 ( -0.947 0.000 2.179) 2.376 3.205 ( 0.387 0.000 -1.758) 1.800 3.463 ( -0.767 0.000 2.478) 2.594 3.565 ( 0.779 0.000 -3.656) 3.738 3.601 ( 0.795 0.000 -0.025) 0.795 3.711 ( -0.615 0.000 0.476) 0.778 3.773 ( 5.045 0.000 3.972) 6.421 3.805 ( -1.003 0.000 0.745) 1.249 3.838 ( -0.090 0.000 0.081) 0.121 3.935 ( 0.013 0.000 0.580) 0.581 3.961 ( 0.681 0.000 -1.703) 1.834 3.992 ( 0.457 0.000 -1.086) 1.178 4.193 ( 0.125 0.000 -1.113) 1.120 4.239 ( -0.657 0.000 -1.187) 1.357 4.391 ( -0.762 0.000 0.976) 1.238 4.463 ( 0.991 0.000 -0.121) 0.998 4.620 ( -1.045 0.000 1.076) 1.499 4.660 ( -0.930 0.000 2.222) 2.409 4.691 ( 5.595 0.000 -0.611) 5.628 4.956 ( 5.052 0.000 -7.799) 9.292 5.486 ( -1.659 0.000 2.631) 3.111 5.488 ( 0.073 0.000 -0.553) 0.558 5.545 ( -2.703 0.000 5.882) 6.474 5.632 ( -1.362 0.000 -1.323) 1.899 5.666 ( -0.720 0.000 0.176) 0.741 5.730 ( -0.894 0.000 -3.116) 3.241 5.744 ( 1.767 0.000 -0.255) 1.785 5.751 ( -4.753 0.000 1.985) 5.151 5.854 ( 2.787 0.000 -1.071) 2.986 5.873 ( -3.971 0.000 3.152) 5.070 5.911 ( 1.477 0.000 0.591) 1.591 6.057 ( 0.013 0.000 3.107) 3.107 6.232 ( 3.358 0.000 -3.982) 5.209 6.267 ( -0.583 0.000 -1.098) 1.244 6.417 ( 2.620 0.000 -1.418) 2.979 6.426 ( 0.022 0.000 -0.274) 0.275 6.498 ( -0.235 0.000 0.184) 0.299 6.515 ( 3.469 0.000 -3.733) 5.096 6.560 ( -1.833 0.000 -2.519) 3.116 6.563 ( 0.184 0.000 -0.962) 0.980 6.653 ( -1.534 0.000 -1.484) 2.135 6.670 ( 3.466 0.000 -1.526) 3.787 6.711 ( 2.135 0.000 4.196) 4.708 6.793 ( 1.532 0.000 4.223) 4.493 6.902 ( 0.822 0.000 0.403) 0.915 7.009 ( 1.006 0.000 -0.696) 1.223 7.174 ( 1.653 0.000 3.205) 3.606 7.245 ( -7.885 0.000 -3.250) 8.528 7.360 ( -2.255 0.000 -0.055) 2.256 7.397 ( -0.631 0.000 -0.694) 0.938 7.462 ( 0.880 0.000 5.350) 5.422 7.642 ( -0.249 0.000 -0.634) 0.681 7.668 ( -0.467 0.000 1.758) 1.819 7.712 ( 0.517 0.000 -0.290) 0.593 7.861 ( -1.647 0.000 0.277) 1.670 7.964 ( 1.285 0.000 -2.519) 2.827 8.098 ( -1.481 0.000 2.296) 2.732 8.191 ( -0.085 0.000 -0.556) 0.563 8.696 ( -0.325 0.000 0.784) 0.849 8.754 ( 0.405 0.000 -0.722) 0.828 8.988 ( -0.889 0.000 1.618) 1.846 9.128 ( 4.211 0.000 0.428) 4.233 9.181 ( -9.091 0.000 -1.501) 9.215 9.292 ( -1.088 0.000 -2.138) 2.399 9.364 ( 1.283 0.000 0.696) 1.459 9.377 ( -0.420 0.000 0.429) 0.600 9.401 ( 0.770 0.000 0.232) 0.804 9.465 ( 0.160 0.000 -1.802) 1.809 9.673 ( -0.305 0.000 0.650) 0.718 9.725 ( 1.069 0.000 -0.488) 1.175 9.725 ( -0.330 0.000 3.006) 3.025 9.850 ( 1.051 0.000 -0.466) 1.150 9.864 ( 4.188 0.000 -0.929) 4.290 9.959 ( 0.680 0.000 -2.593) 2.681 10.540 ( 0.314 0.000 1.011) 1.058 10.544 ( -0.077 0.000 0.009) 0.077 10.553 ( -2.686 0.000 -0.673) 2.769 10.585 ( -0.059 0.000 0.387) 0.391 10.738 ( 0.005 0.000 0.020) 0.021 10.755 ( -0.169 0.000 -0.359) 0.396 10.871 ( -0.668 0.000 0.536) 0.856 10.936 ( 1.363 0.000 -0.918) 1.643 ======================= Grid point 26 (11/39) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 7.566 0.000 5.503) 9.356 0.460 ( 7.333 0.000 8.573) 11.282 0.665 ( 2.397 0.000 -3.554) 4.287 0.683 ( 0.943 0.000 -3.181) 3.318 0.724 ( 1.792 0.000 0.130) 1.797 0.755 ( 2.891 0.000 -1.001) 3.059 0.790 ( -2.855 0.000 -3.954) 4.877 0.845 ( 1.315 0.000 5.797) 5.944 0.847 ( 2.314 0.000 -1.434) 2.723 0.868 ( 0.023 0.000 5.054) 5.054 0.877 ( -1.921 0.000 2.308) 3.003 0.893 ( -0.453 0.000 2.712) 2.750 0.908 ( -0.680 0.000 -0.380) 0.779 0.947 ( -1.650 0.000 0.918) 1.888 0.996 ( 1.169 0.000 -0.275) 1.201 0.997 ( -0.914 0.000 0.184) 0.932 1.021 ( -0.525 0.000 1.080) 1.201 1.035 ( 1.513 0.000 0.001) 1.513 1.040 ( -0.326 0.000 0.732) 0.802 1.066 ( -0.428 0.000 1.338) 1.405 1.071 ( -0.775 0.000 0.824) 1.132 1.081 ( -0.428 0.000 0.525) 0.677 1.087 ( 0.773 0.000 0.580) 0.966 1.116 ( 1.055 0.000 2.070) 2.323 1.125 ( -1.053 0.000 -0.000) 1.053 1.132 ( -0.993 0.000 -0.851) 1.308 1.147 ( 0.479 0.000 0.812) 0.942 1.167 ( -1.058 0.000 0.412) 1.135 1.220 ( -0.236 0.000 -1.061) 1.087 1.222 ( 0.255 0.000 0.892) 0.928 1.224 ( 0.611 0.000 2.233) 2.315 1.269 ( 0.877 0.000 2.701) 2.840 1.277 ( -1.109 0.000 0.007) 1.109 1.280 ( -0.992 0.000 -0.388) 1.065 1.307 ( -0.085 0.000 0.412) 0.420 1.330 ( -1.429 0.000 -2.353) 2.753 1.344 ( 0.021 0.000 1.975) 1.975 1.351 ( -1.417 0.000 -0.944) 1.703 1.366 ( -0.245 0.000 -2.680) 2.691 1.377 ( -0.795 0.000 -1.186) 1.427 1.423 ( -0.333 0.000 0.738) 0.810 1.454 ( -0.444 0.000 -0.100) 0.456 1.507 ( 1.285 0.000 -0.707) 1.467 1.557 ( -1.582 0.000 0.678) 1.721 1.558 ( 0.449 0.000 0.161) 0.477 1.566 ( -0.605 0.000 0.125) 0.618 1.613 ( -2.180 0.000 0.630) 2.270 1.625 ( 1.989 0.000 -0.530) 2.059 1.643 ( -3.481 0.000 1.059) 3.638 1.657 ( -1.585 0.000 2.173) 2.690 1.662 ( -1.037 0.000 1.226) 1.606 1.679 ( -1.063 0.000 -0.245) 1.091 1.696 ( 0.711 0.000 -3.218) 3.296 1.720 ( 0.176 0.000 -0.305) 0.352 1.764 ( 0.493 0.000 1.253) 1.347 1.802 ( 0.959 0.000 -1.380) 1.680 1.864 ( -0.482 0.000 -0.828) 0.958 1.868 ( -0.499 0.000 0.181) 0.531 1.929 ( -2.142 0.000 0.682) 2.248 1.964 ( -0.773 0.000 2.696) 2.805 1.970 ( -1.082 0.000 1.428) 1.792 2.042 ( 1.549 0.000 1.481) 2.143 2.044 ( 0.342 0.000 1.077) 1.131 2.110 ( -0.331 0.000 0.277) 0.431 2.228 ( 0.817 0.000 -3.852) 3.938 2.266 ( -0.808 0.000 -1.864) 2.031 2.290 ( -0.959 0.000 -0.625) 1.145 2.300 ( 1.039 0.000 -0.874) 1.358 2.329 ( 0.053 0.000 -1.439) 1.440 2.337 ( -2.324 0.000 -1.384) 2.705 2.395 ( 0.563 0.000 1.202) 1.328 2.424 ( -1.813 0.000 0.099) 1.816 2.457 ( 3.603 0.000 0.020) 3.603 2.462 ( -2.884 0.000 -0.398) 2.912 2.553 ( 1.612 0.000 0.496) 1.687 2.562 ( 1.903 0.000 0.634) 2.006 2.702 ( 0.703 0.000 -1.875) 2.003 2.717 ( 1.585 0.000 -1.112) 1.936 2.746 ( 0.497 0.000 -0.619) 0.794 2.747 ( 1.539 0.000 -1.261) 1.990 2.819 ( -0.600 0.000 0.316) 0.679 2.855 ( 0.685 0.000 -0.223) 0.720 2.856 ( 0.355 0.000 0.894) 0.961 2.866 ( 0.136 0.000 0.194) 0.237 2.971 ( 0.301 0.000 -0.779) 0.835 3.042 ( 0.045 0.000 -1.806) 1.807 3.122 ( -1.150 0.000 0.908) 1.465 3.201 ( 1.014 0.000 -1.159) 1.540 3.469 ( 0.247 0.000 0.015) 0.247 3.524 ( -1.220 0.000 -2.116) 2.442 3.642 ( 1.121 0.000 3.315) 3.499 3.697 ( -0.581 0.000 -0.390) 0.700 3.781 ( -1.555 0.000 -0.643) 1.683 3.831 ( -1.043 0.000 1.074) 1.497 3.850 ( 1.173 0.000 1.339) 1.780 3.950 ( 0.211 0.000 1.408) 1.423 3.952 ( 0.606 0.000 -1.823) 1.921 3.992 ( 0.523 0.000 -0.435) 0.680 4.181 ( -0.129 0.000 -0.820) 0.830 4.195 ( -1.611 0.000 -2.246) 2.764 4.379 ( -1.541 0.000 0.966) 1.819 4.462 ( -0.597 0.000 -0.525) 0.796 4.615 ( -0.525 0.000 0.582) 0.784 4.669 ( -0.519 0.000 2.001) 2.067 4.759 ( 3.181 0.000 -3.139) 4.469 4.973 ( 5.466 0.000 -7.536) 9.309 5.483 ( -0.075 0.000 -0.418) 0.425 5.488 ( -2.096 0.000 3.865) 4.397 5.548 ( -2.225 0.000 3.867) 4.462 5.595 ( -2.648 0.000 1.792) 3.198 5.655 ( -0.143 0.000 -0.406) 0.430 5.691 ( -0.116 0.000 -1.815) 1.818 5.706 ( -2.746 0.000 3.053) 4.106 5.773 ( 1.503 0.000 -0.505) 1.586 5.811 ( -4.297 0.000 2.355) 4.900 5.904 ( 2.348 0.000 0.326) 2.371 5.942 ( 1.420 0.000 -1.337) 1.951 6.064 ( -1.924 0.000 1.943) 2.734 6.251 ( 0.082 0.000 -0.523) 0.529 6.255 ( 2.754 0.000 -3.538) 4.483 6.439 ( 1.968 0.000 -0.407) 2.009 6.443 ( 0.751 0.000 0.281) 0.802 6.478 ( -1.740 0.000 -0.684) 1.870 6.502 ( 0.402 0.000 -3.224) 3.249 6.536 ( 0.501 0.000 -0.616) 0.794 6.555 ( 0.614 0.000 -0.854) 1.052 6.598 ( -0.239 0.000 -3.469) 3.477 6.710 ( 2.869 0.000 -1.451) 3.215 6.810 ( 2.915 0.000 4.058) 4.996 6.828 ( -1.303 0.000 0.116) 1.308 6.913 ( -0.714 0.000 0.637) 0.957 6.993 ( -1.278 0.000 -1.676) 2.108 7.121 ( -3.063 0.000 0.258) 3.074 7.262 ( 3.580 0.000 3.258) 4.840 7.362 ( 1.005 0.000 1.052) 1.455 7.378 ( -0.517 0.000 -0.525) 0.737 7.509 ( -1.007 0.000 3.433) 3.578 7.576 ( -4.426 0.000 -1.653) 4.724 7.682 ( -0.304 0.000 1.825) 1.850 7.750 ( 2.543 0.000 -0.230) 2.554 7.848 ( -0.483 0.000 1.291) 1.378 7.959 ( 1.321 0.000 -2.836) 3.128 8.100 ( -1.190 0.000 2.692) 2.943 8.184 ( 0.126 0.000 -0.604) 0.617 8.695 ( -0.640 0.000 0.648) 0.910 8.754 ( 0.361 0.000 -0.668) 0.760 8.988 ( -1.092 0.000 1.822) 2.124 9.073 ( -3.329 0.000 1.265) 3.561 9.203 ( 3.594 0.000 -0.547) 3.635 9.260 ( 0.109 0.000 -1.498) 1.502 9.376 ( -0.412 0.000 0.593) 0.722 9.414 ( 3.144 0.000 0.460) 3.177 9.431 ( 1.975 0.000 -0.120) 1.978 9.453 ( 0.980 0.000 -2.482) 2.668 9.660 ( -1.311 0.000 0.459) 1.389 9.734 ( 0.291 0.000 -0.454) 0.539 9.743 ( -1.262 0.000 3.059) 3.309 9.825 ( -4.016 0.000 -0.510) 4.048 9.861 ( 0.465 0.000 -0.599) 0.758 9.928 ( -0.460 0.000 -2.736) 2.774 10.518 ( -0.909 0.000 0.318) 0.963 10.536 ( -0.663 0.000 0.732) 0.988 10.574 ( 1.778 0.000 0.475) 1.841 10.586 ( -0.073 0.000 0.354) 0.362 10.738 ( -0.127 0.000 0.093) 0.158 10.740 ( -0.915 0.000 -0.415) 1.005 10.862 ( -0.803 0.000 0.581) 0.991 10.942 ( 0.600 0.000 -1.128) 1.278 ======================= Grid point 27 (12/39) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 5.398 0.000 2.685) 6.028 0.625 ( -5.388 0.000 -6.355) 8.331 0.626 ( 0.439 0.000 1.707) 1.762 0.675 ( 2.121 0.000 -1.755) 2.753 0.696 ( 3.639 0.000 -3.707) 5.194 0.738 ( 0.979 0.000 0.614) 1.156 0.791 ( 0.844 0.000 -0.256) 0.882 0.823 ( -3.838 0.000 -0.326) 3.852 0.862 ( 0.499 0.000 -1.955) 2.018 0.874 ( 1.688 0.000 0.639) 1.805 0.880 ( -0.260 0.000 -0.813) 0.854 0.889 ( 0.949 0.000 0.869) 1.287 0.935 ( -1.483 0.000 1.894) 2.405 0.959 ( 1.427 0.000 0.657) 1.571 0.987 ( -2.585 0.000 -0.677) 2.673 0.989 ( -0.922 0.000 1.749) 1.977 1.003 ( -0.339 0.000 -1.612) 1.648 1.039 ( -0.255 0.000 -2.083) 2.098 1.063 ( -1.312 0.000 1.639) 2.100 1.068 ( -0.584 0.000 0.209) 0.621 1.079 ( -0.348 0.000 2.658) 2.681 1.084 ( 0.101 0.000 1.486) 1.489 1.098 ( 0.069 0.000 0.622) 0.626 1.101 ( 0.623 0.000 -0.667) 0.912 1.134 ( 0.956 0.000 -0.525) 1.091 1.160 ( -0.048 0.000 0.253) 0.258 1.171 ( 0.983 0.000 -0.583) 1.143 1.187 ( 0.306 0.000 0.541) 0.621 1.198 ( -0.510 0.000 -0.388) 0.641 1.209 ( -1.506 0.000 -3.370) 3.691 1.240 ( -0.496 0.000 2.419) 2.469 1.253 ( -0.203 0.000 2.106) 2.115 1.259 ( -0.491 0.000 0.596) 0.772 1.294 ( -2.758 0.000 -0.492) 2.802 1.314 ( -1.204 0.000 -0.995) 1.562 1.314 ( 1.848 0.000 3.757) 4.187 1.325 ( -1.082 0.000 0.911) 1.415 1.341 ( -0.721 0.000 -0.472) 0.862 1.378 ( -0.907 0.000 1.226) 1.525 1.383 ( 1.620 0.000 1.314) 2.085 1.426 ( -0.706 0.000 -0.800) 1.068 1.427 ( -1.022 0.000 4.942) 5.046 1.481 ( -1.069 0.000 -0.231) 1.094 1.540 ( -0.669 0.000 0.024) 0.669 1.540 ( -0.119 0.000 1.379) 1.384 1.581 ( -0.873 0.000 0.674) 1.103 1.596 ( -2.697 0.000 1.209) 2.956 1.604 ( 0.869 0.000 0.027) 0.869 1.616 ( -0.654 0.000 -1.578) 1.708 1.640 ( -1.359 0.000 -0.704) 1.531 1.666 ( -1.096 0.000 1.134) 1.577 1.700 ( 3.383 0.000 -1.837) 3.849 1.702 ( 0.852 0.000 2.657) 2.790 1.741 ( 2.726 0.000 -0.525) 2.776 1.747 ( -1.879 0.000 0.853) 2.063 1.781 ( 0.755 0.000 -4.498) 4.561 1.828 ( -0.548 0.000 -0.572) 0.793 1.855 ( -2.178 0.000 2.256) 3.136 1.941 ( 0.690 0.000 -0.469) 0.834 1.970 ( -0.843 0.000 0.963) 1.280 1.983 ( -0.494 0.000 2.514) 2.562 2.049 ( -0.642 0.000 0.608) 0.884 2.061 ( -0.005 0.000 -0.511) 0.511 2.108 ( -0.537 0.000 0.833) 0.991 2.199 ( 0.797 0.000 -2.165) 2.307 2.247 ( 0.423 0.000 -0.906) 1.000 2.270 ( -1.520 0.000 -2.241) 2.708 2.298 ( 0.743 0.000 0.989) 1.236 2.313 ( 0.667 0.000 -2.040) 2.146 2.336 ( 1.696 0.000 0.943) 1.940 2.408 ( -1.126 0.000 2.107) 2.389 2.411 ( -1.604 0.000 -0.355) 1.642 2.428 ( 0.749 0.000 2.498) 2.608 2.514 ( 2.079 0.000 -0.413) 2.120 2.581 ( 0.499 0.000 0.775) 0.922 2.581 ( -0.190 0.000 -0.390) 0.434 2.714 ( 2.153 0.000 -0.652) 2.250 2.724 ( 0.863 0.000 -1.609) 1.825 2.752 ( 0.411 0.000 0.299) 0.509 2.782 ( 2.366 0.000 0.096) 2.368 2.808 ( -0.598 0.000 -0.518) 0.791 2.853 ( -0.535 0.000 -0.973) 1.111 2.861 ( -0.566 0.000 0.511) 0.762 2.864 ( 0.450 0.000 -1.445) 1.513 2.969 ( 0.560 0.000 -1.088) 1.224 3.022 ( 0.284 0.000 -1.711) 1.734 3.103 ( -1.352 0.000 0.383) 1.406 3.217 ( 1.214 0.000 -0.074) 1.216 3.475 ( 0.279 0.000 -0.181) 0.333 3.492 ( -0.298 0.000 -0.767) 0.823 3.681 ( -0.798 0.000 2.152) 2.296 3.686 ( -0.041 0.000 -0.570) 0.572 3.754 ( -0.093 0.000 -0.427) 0.437 3.822 ( -1.294 0.000 1.366) 1.882 3.850 ( -0.726 0.000 -2.073) 2.197 3.949 ( 1.055 0.000 -1.502) 1.835 3.960 ( -0.594 0.000 0.713) 0.928 3.995 ( 0.299 0.000 -0.670) 0.734 4.162 ( 0.359 0.000 -0.358) 0.507 4.180 ( 0.290 0.000 0.373) 0.472 4.363 ( -1.090 0.000 1.047) 1.511 4.443 ( -0.400 0.000 -0.892) 0.977 4.610 ( -0.476 0.000 0.533) 0.715 4.677 ( -0.548 0.000 0.970) 1.114 4.772 ( 1.893 0.000 -2.113) 2.838 4.982 ( 4.572 0.000 -8.637) 9.772 5.482 ( 0.242 0.000 0.334) 0.413 5.485 ( -2.429 0.000 3.746) 4.464 5.548 ( -2.627 0.000 3.563) 4.427 5.586 ( -1.324 0.000 4.303) 4.502 5.652 ( 0.218 0.000 -0.478) 0.525 5.691 ( 1.327 0.000 -0.458) 1.404 5.694 ( -1.667 0.000 1.816) 2.465 5.769 ( -2.728 0.000 2.211) 3.512 5.786 ( 0.518 0.000 -0.694) 0.865 5.933 ( 0.513 0.000 -2.885) 2.930 5.950 ( 1.046 0.000 1.663) 1.964 6.042 ( -1.889 0.000 1.268) 2.275 6.257 ( 1.822 0.000 -3.497) 3.943 6.260 ( 1.034 0.000 0.068) 1.036 6.425 ( -2.007 0.000 -1.000) 2.242 6.460 ( 0.269 0.000 0.333) 0.429 6.474 ( 1.243 0.000 -1.817) 2.202 6.485 ( 1.094 0.000 -0.052) 1.096 6.541 ( 0.258 0.000 -0.226) 0.343 6.586 ( 2.126 0.000 1.668) 2.702 6.590 ( 2.294 0.000 -1.273) 2.624 6.743 ( 1.537 0.000 -1.267) 1.992 6.765 ( -2.638 0.000 -3.427) 4.325 6.880 ( -2.791 0.000 -0.646) 2.865 6.890 ( 1.982 0.000 1.776) 2.661 6.944 ( -0.654 0.000 -2.878) 2.952 7.120 ( 0.555 0.000 3.056) 3.106 7.335 ( -0.919 0.000 0.977) 1.341 7.359 ( -0.448 0.000 -1.111) 1.198 7.398 ( 1.089 0.000 1.210) 1.628 7.498 ( -0.328 0.000 -0.212) 0.390 7.501 ( -2.335 0.000 1.268) 2.656 7.689 ( -0.914 0.000 1.461) 1.724 7.779 ( 0.908 0.000 -0.601) 1.089 7.854 ( -0.622 0.000 1.077) 1.244 7.956 ( 1.562 0.000 -2.775) 3.184 8.108 ( -1.338 0.000 2.972) 3.260 8.185 ( 0.454 0.000 -0.166) 0.483 8.689 ( -0.591 0.000 0.503) 0.776 8.754 ( 0.443 0.000 -0.613) 0.756 8.987 ( -1.018 0.000 1.666) 1.953 9.044 ( -1.110 0.000 0.169) 1.123 9.263 ( 2.103 0.000 2.167) 3.020 9.265 ( 1.086 0.000 0.041) 1.087 9.372 ( -0.648 0.000 0.313) 0.719 9.436 ( 1.127 0.000 -3.015) 3.218 9.471 ( 1.743 0.000 -0.985) 2.002 9.473 ( 1.757 0.000 0.867) 1.959 9.638 ( -1.273 0.000 0.006) 1.273 9.720 ( -0.491 0.000 -1.704) 1.774 9.742 ( -1.873 0.000 1.676) 2.513 9.756 ( -2.970 0.000 0.963) 3.123 9.851 ( 0.253 0.000 -1.901) 1.918 9.906 ( 0.799 0.000 -1.606) 1.794 10.514 ( -0.079 0.000 0.260) 0.271 10.530 ( -0.617 0.000 0.400) 0.735 10.589 ( 0.026 0.000 0.291) 0.292 10.604 ( 0.690 0.000 -0.066) 0.693 10.722 ( -0.401 0.000 0.071) 0.407 10.735 ( -0.194 0.000 0.058) 0.202 10.858 ( -0.456 0.000 0.945) 1.049 10.940 ( 0.501 0.000 -0.972) 1.094 ======================= Grid point 28 (13/39) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -10.266 0.000 -4.200) 11.092 0.489 ( -11.022 0.000 -1.812) 11.170 0.647 ( 0.845 0.000 0.871) 1.213 0.665 ( 0.280 0.000 -3.504) 3.515 0.765 ( 4.282 0.000 -0.213) 4.288 0.795 ( 0.673 0.000 -1.344) 1.504 0.799 ( 1.579 0.000 1.179) 1.970 0.804 ( -1.112 0.000 1.921) 2.219 0.831 ( 0.585 0.000 -3.078) 3.133 0.875 ( -0.942 0.000 1.148) 1.485 0.884 ( -0.334 0.000 -0.554) 0.647 0.904 ( -0.531 0.000 -1.152) 1.268 0.909 ( -11.424 0.000 1.956) 11.590 0.941 ( -0.209 0.000 1.865) 1.877 0.970 ( 1.704 0.000 -0.338) 1.737 0.987 ( 1.987 0.000 -0.652) 2.091 0.991 ( -0.927 0.000 -2.905) 3.049 0.998 ( 1.240 0.000 -0.841) 1.498 1.011 ( -2.130 0.000 2.279) 3.120 1.047 ( -0.595 0.000 -2.061) 2.145 1.087 ( -1.677 0.000 2.123) 2.706 1.097 ( -1.190 0.000 0.628) 1.345 1.105 ( 0.532 0.000 1.485) 1.578 1.126 ( -0.459 0.000 -0.766) 0.893 1.131 ( 1.719 0.000 -0.410) 1.767 1.153 ( 0.274 0.000 0.093) 0.289 1.166 ( 0.880 0.000 -3.623) 3.728 1.174 ( -2.799 0.000 0.690) 2.883 1.187 ( -1.960 0.000 -0.844) 2.134 1.190 ( 1.117 0.000 -0.251) 1.145 1.206 ( 0.013 0.000 0.939) 0.939 1.252 ( 0.685 0.000 1.883) 2.003 1.265 ( -0.804 0.000 2.310) 2.446 1.266 ( -1.641 0.000 -1.240) 2.057 1.307 ( -1.483 0.000 0.546) 1.580 1.314 ( 1.723 0.000 3.553) 3.948 1.330 ( -0.101 0.000 0.012) 0.102 1.369 ( -0.097 0.000 0.461) 0.472 1.415 ( 1.801 0.000 2.971) 3.475 1.419 ( 0.138 0.000 1.141) 1.149 1.446 ( 3.742 0.000 -0.367) 3.760 1.453 ( -0.444 0.000 1.565) 1.627 1.503 ( 1.063 0.000 0.041) 1.063 1.540 ( -1.663 0.000 0.324) 1.695 1.548 ( -1.934 0.000 -0.625) 2.033 1.566 ( -1.193 0.000 1.027) 1.574 1.574 ( 1.445 0.000 1.072) 1.800 1.585 ( 0.198 0.000 -1.934) 1.944 1.609 ( -0.235 0.000 -0.492) 0.545 1.635 ( 2.578 0.000 -0.009) 2.578 1.653 ( -0.530 0.000 -0.543) 0.759 1.710 ( -0.399 0.000 2.507) 2.538 1.729 ( 0.350 0.000 0.145) 0.379 1.748 ( -1.635 0.000 0.086) 1.638 1.754 ( 0.620 0.000 -1.418) 1.547 1.811 ( 4.518 0.000 -2.069) 4.970 1.836 ( -2.006 0.000 1.900) 2.763 1.839 ( 1.469 0.000 0.051) 1.470 1.937 ( -0.188 0.000 0.005) 0.188 1.949 ( -1.499 0.000 0.047) 1.500 1.999 ( -0.844 0.000 3.703) 3.798 2.051 ( 0.377 0.000 0.541) 0.659 2.054 ( -0.285 0.000 -0.102) 0.302 2.100 ( -0.667 0.000 -0.092) 0.673 2.213 ( 1.881 0.000 -1.069) 2.163 2.243 ( 1.528 0.000 -2.530) 2.956 2.261 ( 1.423 0.000 0.207) 1.438 2.306 ( 1.075 0.000 -1.395) 1.761 2.331 ( 1.187 0.000 0.671) 1.363 2.371 ( 0.514 0.000 0.686) 0.857 2.402 ( 0.251 0.000 1.056) 1.085 2.426 ( 0.095 0.000 2.924) 2.925 2.472 ( 0.828 0.000 2.610) 2.738 2.512 ( -1.363 0.000 -0.870) 1.617 2.556 ( -0.998 0.000 -1.475) 1.781 2.589 ( -0.514 0.000 0.990) 1.116 2.718 ( -0.116 0.000 -1.347) 1.352 2.759 ( 1.798 0.000 1.183) 2.153 2.768 ( 0.330 0.000 1.137) 1.184 2.786 ( -0.632 0.000 -1.316) 1.460 2.819 ( -0.033 0.000 0.816) 0.817 2.825 ( 0.225 0.000 -2.328) 2.338 2.843 ( -0.211 0.000 -1.883) 1.895 2.846 ( -0.801 0.000 -1.050) 1.321 2.965 ( 1.120 0.000 -2.374) 2.625 3.030 ( 2.217 0.000 -1.145) 2.495 3.094 ( -0.701 0.000 1.898) 2.023 3.232 ( 0.343 0.000 -0.356) 0.494 3.467 ( -1.672 0.000 1.199) 2.058 3.505 ( 1.839 0.000 0.556) 1.921 3.656 ( -1.610 0.000 -1.451) 2.168 3.678 ( 0.230 0.000 -2.079) 2.092 3.776 ( 2.108 0.000 0.431) 2.152 3.788 ( -2.198 0.000 -3.540) 4.167 3.815 ( -1.065 0.000 1.402) 1.761 3.949 ( -0.801 0.000 0.135) 0.812 3.956 ( 1.197 0.000 -1.344) 1.800 3.991 ( 0.021 0.000 -0.458) 0.458 4.195 ( 0.455 0.000 0.685) 0.823 4.196 ( 1.903 0.000 1.484) 2.414 4.366 ( 0.034 0.000 1.252) 1.252 4.433 ( 0.516 0.000 -1.095) 1.210 4.615 ( 0.001 0.000 1.055) 1.055 4.668 ( -1.218 0.000 0.815) 1.465 4.784 ( 2.038 0.000 -3.582) 4.121 4.961 ( 3.917 0.000 -9.457) 10.236 5.482 ( -2.816 0.000 4.767) 5.536 5.494 ( 0.292 0.000 0.337) 0.446 5.532 ( -2.915 0.000 3.831) 4.814 5.623 ( -0.260 0.000 4.597) 4.604 5.660 ( 0.776 0.000 0.387) 0.867 5.681 ( -1.181 0.000 1.118) 1.626 5.721 ( 1.953 0.000 0.087) 1.955 5.762 ( -0.588 0.000 2.687) 2.750 5.776 ( -0.616 0.000 -0.622) 0.876 5.893 ( -0.465 0.000 -4.111) 4.137 5.979 ( -0.955 0.000 2.503) 2.679 6.033 ( -0.465 0.000 1.150) 1.241 6.254 ( 1.551 0.000 -3.014) 3.389 6.279 ( 0.744 0.000 -0.034) 0.745 6.390 ( 0.167 0.000 -2.096) 2.103 6.459 ( -0.992 0.000 -0.017) 0.992 6.471 ( 0.604 0.000 0.518) 0.796 6.528 ( 3.420 0.000 -1.028) 3.572 6.551 ( 1.044 0.000 0.718) 1.267 6.630 ( -0.379 0.000 1.177) 1.237 6.640 ( 2.538 0.000 0.742) 2.644 6.652 ( -2.293 0.000 -7.660) 7.996 6.757 ( 0.225 0.000 0.522) 0.568 6.794 ( -4.825 0.000 -1.524) 5.060 6.918 ( 0.358 0.000 -0.809) 0.884 6.934 ( 2.572 0.000 -2.138) 3.345 7.202 ( 3.430 0.000 5.388) 6.387 7.226 ( -5.498 0.000 -2.225) 5.932 7.381 ( 1.230 0.000 0.698) 1.414 7.414 ( -0.193 0.000 -0.460) 0.499 7.461 ( -3.046 0.000 1.618) 3.449 7.547 ( 3.186 0.000 0.840) 3.295 7.682 ( -1.346 0.000 1.405) 1.945 7.771 ( -0.713 0.000 -0.927) 1.169 7.844 ( -1.431 0.000 1.044) 1.771 7.959 ( 1.691 0.000 -2.406) 2.941 8.110 ( -1.732 0.000 2.746) 3.247 8.194 ( 0.350 0.000 0.100) 0.364 8.686 ( -0.248 0.000 0.604) 0.653 8.756 ( 0.419 0.000 -0.654) 0.777 8.987 ( -0.786 0.000 1.410) 1.614 9.029 ( -0.680 0.000 0.274) 0.733 9.292 ( 0.812 0.000 1.220) 1.466 9.327 ( 1.116 0.000 4.213) 4.358 9.361 ( -0.446 0.000 -0.216) 0.496 9.427 ( 1.693 0.000 -3.469) 3.860 9.473 ( -2.663 0.000 0.380) 2.690 9.473 ( -0.708 0.000 0.451) 0.839 9.619 ( 0.355 0.000 -2.698) 2.721 9.699 ( 1.138 0.000 -2.400) 2.656 9.715 ( -1.529 0.000 0.506) 1.610 9.732 ( -2.292 0.000 2.160) 3.150 9.840 ( 0.765 0.000 -1.902) 2.050 9.921 ( 2.368 0.000 -1.327) 2.714 10.519 ( 0.195 0.000 0.724) 0.750 10.524 ( -0.332 0.000 0.130) 0.356 10.591 ( -0.335 0.000 0.455) 0.565 10.592 ( -1.317 0.000 -0.457) 1.394 10.733 ( 0.968 0.000 0.397) 1.047 10.733 ( 0.028 0.000 -0.096) 0.100 10.864 ( -0.132 0.000 1.108) 1.116 10.940 ( 0.567 0.000 -1.107) 1.244 ======================= Grid point 29 (14/39) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( -7.893 0.000 7.348) 10.784 0.262 ( -12.308 0.000 3.333) 12.751 0.551 ( -18.117 0.000 14.716) 23.341 0.651 ( 2.505 0.000 -3.371) 4.200 0.722 ( -3.034 0.000 -2.146) 3.716 0.763 ( -1.489 0.000 0.074) 1.491 0.780 ( -0.886 0.000 -0.138) 0.897 0.822 ( 1.917 0.000 -0.763) 2.063 0.824 ( 0.600 0.000 -2.236) 2.316 0.860 ( 0.382 0.000 2.373) 2.404 0.897 ( 2.963 0.000 -0.593) 3.021 0.898 ( 1.340 0.000 -0.089) 1.343 0.920 ( 0.067 0.000 1.244) 1.245 0.946 ( -1.747 0.000 0.733) 1.895 0.957 ( 0.629 0.000 -1.230) 1.381 0.989 ( 1.127 0.000 2.661) 2.889 0.997 ( 1.361 0.000 -1.721) 2.194 1.008 ( 0.050 0.000 0.343) 0.347 1.022 ( 0.721 0.000 -1.353) 1.533 1.053 ( 0.188 0.000 0.553) 0.584 1.072 ( -1.974 0.000 1.976) 2.793 1.089 ( 0.427 0.000 0.885) 0.983 1.098 ( -0.844 0.000 -1.147) 1.424 1.120 ( -0.523 0.000 -1.391) 1.486 1.133 ( 0.444 0.000 0.748) 0.870 1.139 ( -0.894 0.000 -0.313) 0.948 1.158 ( 1.704 0.000 -0.901) 1.927 1.163 ( 0.078 0.000 -0.812) 0.816 1.176 ( -1.669 0.000 0.039) 1.670 1.201 ( 1.781 0.000 0.306) 1.807 1.217 ( -0.459 0.000 -0.516) 0.690 1.234 ( 1.109 0.000 0.245) 1.136 1.277 ( -0.784 0.000 1.277) 1.499 1.286 ( -0.724 0.000 1.629) 1.783 1.288 ( -1.036 0.000 1.962) 2.219 1.336 ( 0.439 0.000 0.498) 0.664 1.373 ( 0.225 0.000 2.980) 2.988 1.376 ( 0.695 0.000 0.742) 1.017 1.436 ( 1.471 0.000 -0.580) 1.581 1.437 ( 0.164 0.000 -1.471) 1.480 1.477 ( -1.359 0.000 4.271) 4.482 1.490 ( -1.590 0.000 -0.637) 1.713 1.499 ( -2.000 0.000 -0.131) 2.004 1.500 ( -0.750 0.000 -0.175) 0.770 1.509 ( 0.617 0.000 -1.456) 1.581 1.573 ( 0.784 0.000 -2.258) 2.390 1.574 ( 2.905 0.000 -1.188) 3.138 1.590 ( 1.617 0.000 -0.421) 1.671 1.628 ( 1.110 0.000 0.576) 1.250 1.649 ( 0.694 0.000 -0.086) 0.699 1.675 ( 0.097 0.000 1.565) 1.568 1.714 ( -1.030 0.000 -0.026) 1.030 1.727 ( -1.162 0.000 1.340) 1.774 1.760 ( 0.341 0.000 0.144) 0.371 1.773 ( 3.748 0.000 -0.101) 3.749 1.791 ( -3.017 0.000 0.787) 3.118 1.830 ( -0.783 0.000 -2.733) 2.843 1.864 ( 2.190 0.000 -1.962) 2.940 1.941 ( -0.354 0.000 1.134) 1.188 1.942 ( -0.454 0.000 2.073) 2.122 2.035 ( 0.914 0.000 2.560) 2.719 2.039 ( -1.428 0.000 0.099) 1.432 2.060 ( -2.689 0.000 3.541) 4.446 2.096 ( 0.707 0.000 -0.301) 0.768 2.237 ( 2.197 0.000 -1.460) 2.638 2.263 ( 2.699 0.000 -1.802) 3.245 2.303 ( 3.326 0.000 -1.002) 3.473 2.309 ( 1.065 0.000 -3.343) 3.509 2.355 ( 0.516 0.000 0.524) 0.735 2.361 ( -1.141 0.000 -0.983) 1.506 2.404 ( -1.877 0.000 -0.963) 2.109 2.446 ( -0.680 0.000 0.472) 0.828 2.481 ( -1.145 0.000 0.813) 1.404 2.517 ( 1.389 0.000 0.518) 1.482 2.520 ( -1.243 0.000 -0.757) 1.456 2.604 ( 0.792 0.000 1.887) 2.047 2.659 ( -3.259 0.000 -3.098) 4.496 2.759 ( -0.246 0.000 -1.979) 1.994 2.770 ( -1.710 0.000 0.411) 1.759 2.780 ( -1.305 0.000 -0.710) 1.486 2.795 ( 0.858 0.000 1.189) 1.466 2.823 ( 0.561 0.000 -1.352) 1.464 2.832 ( 1.011 0.000 -0.928) 1.373 2.850 ( 1.082 0.000 0.060) 1.084 2.966 ( 1.704 0.000 -2.397) 2.941 3.057 ( 1.519 0.000 -2.666) 3.068 3.111 ( -0.721 0.000 3.108) 3.191 3.219 ( -0.127 0.000 -1.791) 1.795 3.453 ( -1.806 0.000 2.961) 3.468 3.559 ( 1.082 0.000 2.528) 2.750 3.614 ( -0.381 0.000 -2.472) 2.501 3.638 ( 0.494 0.000 -2.138) 2.195 3.731 ( -1.101 0.000 -0.635) 1.271 3.811 ( -1.012 0.000 1.396) 1.724 3.821 ( 1.852 0.000 0.128) 1.857 3.938 ( -0.519 0.000 0.089) 0.526 3.962 ( 0.926 0.000 -1.408) 1.686 3.989 ( 0.190 0.000 -0.134) 0.232 4.202 ( 0.015 0.000 -0.327) 0.328 4.238 ( 0.958 0.000 0.662) 1.165 4.385 ( 0.240 0.000 1.294) 1.316 4.441 ( 1.397 0.000 -0.678) 1.553 4.624 ( -0.613 0.000 1.371) 1.501 4.658 ( -1.165 0.000 1.608) 1.985 4.726 ( -2.420 0.000 -7.886) 8.249 4.947 ( 4.922 0.000 -8.155) 9.525 5.484 ( -2.192 0.000 4.574) 5.072 5.494 ( -0.142 0.000 -0.378) 0.404 5.527 ( -2.565 0.000 5.176) 5.777 5.656 ( 0.014 0.000 0.335) 0.335 5.673 ( -0.348 0.000 0.703) 0.784 5.693 ( 0.710 0.000 3.460) 3.532 5.754 ( 1.300 0.000 -0.682) 1.468 5.769 ( -0.101 0.000 1.676) 1.679 5.815 ( 2.670 0.000 2.822) 3.885 5.844 ( 0.330 0.000 -3.249) 3.266 5.955 ( -4.004 0.000 1.795) 4.388 6.039 ( -0.918 0.000 1.666) 1.902 6.245 ( 1.163 0.000 -4.051) 4.214 6.283 ( 0.018 0.000 -0.667) 0.667 6.389 ( 2.223 0.000 -2.300) 3.199 6.439 ( -1.035 0.000 -0.340) 1.089 6.490 ( 0.712 0.000 0.347) 0.792 6.511 ( -1.777 0.000 -6.515) 6.753 6.573 ( 0.278 0.000 -0.057) 0.283 6.600 ( 1.910 0.000 2.438) 3.097 6.627 ( 1.390 0.000 -0.717) 1.564 6.650 ( -2.186 0.000 -2.090) 3.024 6.709 ( -2.257 0.000 0.899) 2.429 6.765 ( -1.413 0.000 2.458) 2.836 6.899 ( 0.067 0.000 -2.004) 2.005 6.977 ( 3.210 0.000 -1.073) 3.385 7.148 ( -1.745 0.000 1.019) 2.021 7.343 ( 3.829 0.000 4.691) 6.055 7.369 ( -1.376 0.000 -2.521) 2.872 7.404 ( 0.311 0.000 0.343) 0.464 7.441 ( -1.926 0.000 0.903) 2.127 7.608 ( 3.025 0.000 -0.240) 3.035 7.670 ( -1.531 0.000 1.458) 2.114 7.739 ( -1.698 0.000 -0.613) 1.806 7.846 ( 0.276 0.000 2.890) 2.903 7.964 ( 1.498 0.000 -2.262) 2.713 8.104 ( -1.776 0.000 2.366) 2.959 8.197 ( -0.036 0.000 -0.171) 0.175 8.691 ( -0.097 0.000 0.765) 0.771 8.755 ( 0.356 0.000 -0.819) 0.893 8.988 ( -0.748 0.000 1.366) 1.557 9.040 ( 1.369 0.000 2.267) 2.649 9.312 ( 0.154 0.000 0.508) 0.531 9.355 ( 0.057 0.000 -0.328) 0.333 9.367 ( 0.219 0.000 -3.406) 3.413 9.407 ( -3.317 0.000 -0.309) 3.332 9.412 ( -0.241 0.000 -3.113) 3.122 9.514 ( -1.658 0.000 2.725) 3.190 9.567 ( 2.509 0.000 2.227) 3.355 9.708 ( -0.732 0.000 1.788) 1.932 9.708 ( 1.641 0.000 -1.290) 2.087 9.728 ( -0.544 0.000 4.356) 4.390 9.839 ( 1.014 0.000 -1.290) 1.641 9.952 ( 2.408 0.000 -1.820) 3.018 10.524 ( 0.253 0.000 0.244) 0.352 10.547 ( 1.662 0.000 2.023) 2.618 10.561 ( -1.433 0.000 -0.019) 1.433 10.585 ( -0.684 0.000 0.208) 0.715 10.735 ( 0.257 0.000 -0.059) 0.264 10.752 ( 0.675 0.000 0.012) 0.675 10.872 ( -0.254 0.000 0.851) 0.888 10.934 ( 0.202 0.000 -1.403) 1.417 ======================= Grid point 30 (15/39) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -2.404 9.168 6.089) 11.266 0.442 ( 0.832 9.222 9.431) 13.217 0.653 ( 0.120 -3.465 1.882) 3.945 0.663 ( 0.495 0.107 0.536) 0.738 0.695 ( -1.354 8.169 6.147) 10.313 0.758 ( -1.297 0.733 -1.642) 2.218 0.762 ( 3.163 -0.623 -1.663) 3.627 0.779 ( 0.186 0.869 1.950) 2.143 0.842 ( 1.803 -1.851 -1.642) 3.061 0.848 ( 0.241 -0.241 0.015) 0.341 0.875 ( -0.016 -1.909 1.802) 2.625 0.888 ( -1.085 -0.093 0.161) 1.100 0.904 ( -1.377 -0.058 0.375) 1.429 0.944 ( -0.523 -1.272 0.552) 1.482 0.966 ( -0.319 -0.414 -0.554) 0.762 1.003 ( 0.652 -1.263 -1.299) 1.926 1.010 ( -0.443 0.686 1.196) 1.448 1.026 ( -0.207 0.112 0.862) 0.893 1.045 ( -0.198 1.696 0.602) 1.810 1.057 ( -0.030 1.264 0.526) 1.369 1.063 ( 0.451 -0.488 -1.015) 1.213 1.078 ( -0.016 -0.155 0.511) 0.534 1.091 ( 1.159 -1.151 1.243) 2.052 1.109 ( -1.348 -0.507 0.512) 1.528 1.128 ( -0.855 -0.859 -0.115) 1.217 1.142 ( -0.794 0.332 0.297) 0.911 1.163 ( 1.098 1.364 -0.436) 1.805 1.164 ( 0.442 -0.552 -1.234) 1.422 1.200 ( -0.258 0.038 1.545) 1.567 1.206 ( -0.526 -1.106 0.133) 1.232 1.219 ( 0.903 0.983 0.720) 1.517 1.255 ( 0.192 1.364 2.016) 2.442 1.282 ( 0.315 -0.048 1.823) 1.851 1.302 ( 0.210 0.967 -0.311) 1.037 1.323 ( -0.824 0.514 -0.001) 0.971 1.339 ( -1.142 1.287 0.099) 1.723 1.360 ( -1.665 -1.704 0.456) 2.425 1.379 ( -1.456 -1.450 -1.073) 2.317 1.397 ( -1.523 0.307 -0.732) 1.717 1.401 ( 0.204 -1.549 0.444) 1.624 1.443 ( -0.400 0.400 -0.177) 0.593 1.457 ( 0.275 -0.063 -0.535) 0.604 1.475 ( -0.423 -0.218 -0.573) 0.745 1.494 ( 0.448 -1.349 1.960) 2.421 1.559 ( 1.553 0.031 1.176) 1.949 1.574 ( 1.541 -0.071 -0.096) 1.546 1.604 ( 0.760 0.282 -1.433) 1.646 1.635 ( 1.858 0.550 -0.436) 1.986 1.669 ( -1.164 -0.310 -0.281) 1.237 1.677 ( -0.101 0.997 0.202) 1.022 1.687 ( 0.559 1.563 -0.202) 1.672 1.709 ( 1.031 0.161 -0.182) 1.059 1.720 ( -2.061 -0.895 -0.993) 2.456 1.739 ( -0.777 1.065 0.154) 1.327 1.773 ( 0.693 0.916 2.020) 2.324 1.784 ( -0.304 2.428 1.169) 2.712 1.856 ( -0.613 -1.613 -1.602) 2.355 1.888 ( 0.291 -0.545 -0.349) 0.710 1.899 ( 0.802 -0.598 1.669) 1.946 1.952 ( -0.190 -1.527 2.395) 2.847 1.972 ( -2.797 -0.893 3.433) 4.517 2.012 ( -1.339 -0.860 0.454) 1.655 2.056 ( -1.454 1.564 0.944) 2.335 2.119 ( -0.189 0.959 -0.819) 1.275 2.245 ( 0.562 0.195 -1.973) 2.061 2.272 ( 0.661 -1.420 -1.007) 1.862 2.302 ( 1.368 -0.638 -1.419) 2.072 2.310 ( 0.246 -0.197 -1.944) 1.970 2.324 ( -0.986 -0.779 -1.086) 1.661 2.350 ( -0.014 -0.995 -0.400) 1.072 2.399 ( 0.584 1.628 1.224) 2.118 2.446 ( -1.424 -0.682 -1.416) 2.121 2.470 ( 0.244 -0.843 -2.175) 2.345 2.480 ( 0.624 1.836 -0.381) 1.976 2.504 ( 0.114 -1.872 1.621) 2.479 2.557 ( -0.369 0.707 -0.319) 0.859 2.678 ( 0.575 0.356 0.366) 0.769 2.725 ( -0.796 -0.986 -1.653) 2.083 2.753 ( 0.251 0.931 -2.599) 2.772 2.772 ( 0.352 0.600 -1.535) 1.685 2.823 ( 1.116 -0.302 1.112) 1.605 2.833 ( 0.347 0.535 0.183) 0.663 2.844 ( 0.203 -0.938 0.582) 1.122 2.845 ( 0.327 -0.038 0.533) 0.626 2.989 ( 0.834 1.612 -0.821) 1.992 3.056 ( 0.873 0.194 -1.238) 1.528 3.118 ( -0.293 0.037 1.726) 1.751 3.188 ( 0.372 -1.556 -1.047) 1.912 3.481 ( -0.197 1.424 2.961) 3.291 3.533 ( 0.753 -1.548 -0.277) 1.743 3.624 ( -0.084 1.132 -0.662) 1.314 3.684 ( 1.530 -2.499 2.110) 3.611 3.777 ( 0.774 3.585 0.033) 3.668 3.822 ( -0.852 1.019 1.339) 1.886 3.879 ( -0.217 2.083 -0.628) 2.186 3.901 ( -0.410 -1.124 1.479) 1.902 3.954 ( 0.262 -0.693 -1.565) 1.732 4.020 ( 0.759 2.119 -0.822) 2.396 4.114 ( -0.322 -5.888 -1.343) 6.048 4.169 ( -0.607 -4.701 -2.071) 5.173 4.467 ( -0.403 4.748 0.683) 4.814 4.580 ( 2.269 2.815 -2.847) 4.602 4.612 ( -1.969 0.515 0.133) 2.040 4.684 ( 1.916 0.103 -0.287) 1.940 4.802 ( 0.622 9.791 -2.390) 10.097 5.024 ( 5.108 5.435 -7.596) 10.645 5.373 ( -2.557 -7.865 3.799) 9.100 5.507 ( 0.566 -0.182 -1.667) 1.770 5.566 ( -1.128 1.631 1.410) 2.433 5.608 ( -0.864 -2.696 0.462) 2.868 5.631 ( -1.424 -5.253 -0.005) 5.443 5.666 ( -1.627 -0.556 1.087) 2.034 5.695 ( -0.935 -2.028 3.544) 4.189 5.736 ( 0.202 -2.013 1.123) 2.313 5.852 ( 1.357 -1.491 -1.321) 2.410 5.877 ( 1.264 -0.377 -1.369) 1.901 5.892 ( -4.227 1.020 4.078) 5.962 6.007 ( -1.666 -2.682 3.893) 5.012 6.245 ( 2.403 1.444 -3.747) 4.679 6.303 ( 0.869 0.602 -1.447) 1.792 6.411 ( 1.272 0.221 -1.037) 1.656 6.450 ( 0.731 0.291 -2.027) 2.174 6.464 ( 0.856 -0.536 -0.818) 1.299 6.498 ( 0.133 -1.499 -1.444) 2.086 6.596 ( 0.945 3.702 -2.908) 4.801 6.646 ( 0.739 5.048 -1.350) 5.277 6.665 ( 1.094 0.875 -2.913) 3.233 6.708 ( -0.107 0.524 2.674) 2.727 6.744 ( 0.045 2.754 2.273) 3.571 6.780 ( 0.552 1.019 2.153) 2.445 6.875 ( 0.853 -2.681 0.336) 2.834 6.968 ( 0.651 -3.499 -0.308) 3.572 7.164 ( 1.010 -0.551 2.729) 2.962 7.204 ( -4.355 -2.365 -0.508) 4.982 7.347 ( -0.643 -0.359 0.457) 0.867 7.372 ( 0.201 -1.521 0.809) 1.734 7.494 ( -0.297 2.293 3.682) 4.348 7.616 ( -0.512 -2.323 0.721) 2.485 7.703 ( 0.932 1.392 -0.866) 1.886 7.723 ( -1.337 0.565 -0.563) 1.557 7.868 ( -0.743 1.975 1.049) 2.356 7.964 ( 0.702 -0.690 -1.484) 1.781 8.109 ( -1.021 1.064 1.561) 2.147 8.177 ( -0.162 -1.231 -0.334) 1.286 8.753 ( 0.062 3.615 -0.661) 3.675 8.787 ( 0.441 2.934 -0.820) 3.078 8.943 ( -0.753 -3.272 1.895) 3.855 9.037 ( -0.997 -6.847 2.248) 7.275 9.174 ( -1.116 2.878 1.218) 3.319 9.309 ( -2.028 -1.546 -1.869) 3.161 9.339 ( 2.123 0.109 0.187) 2.134 9.389 ( 0.700 -0.263 -1.336) 1.531 9.454 ( 0.056 2.692 -1.279) 2.981 9.495 ( -1.020 2.232 -2.108) 3.235 9.634 ( 0.860 -2.661 1.290) 3.079 9.675 ( 0.794 -2.795 -0.084) 2.906 9.725 ( -0.864 0.176 3.078) 3.202 9.762 ( -0.529 -1.591 3.924) 4.267 9.961 ( 2.076 1.591 -3.606) 4.455 9.984 ( 1.323 1.459 -3.664) 4.160 10.527 ( 0.044 -0.325 0.574) 0.661 10.534 ( -0.884 -0.863 0.350) 1.284 10.543 ( 0.277 -0.256 0.357) 0.520 10.569 ( -0.041 -0.619 -0.159) 0.640 10.758 ( -0.821 2.120 0.122) 2.277 10.815 ( 0.161 2.970 -1.293) 3.243 10.856 ( -0.695 -1.210 0.602) 1.519 10.921 ( 0.855 -1.308 -0.719) 1.720 ======================= Grid point 31 (16/39) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 2.526 5.473 5.507) 8.165 0.579 ( 3.171 5.690 7.125) 9.654 0.662 ( 0.731 -0.219 -2.675) 2.782 0.683 ( 0.098 -3.647 1.271) 3.863 0.721 ( 0.659 1.737 -1.930) 2.678 0.757 ( -0.056 -1.262 -2.267) 2.595 0.758 ( 2.048 -0.374 -2.294) 3.098 0.819 ( -0.792 -1.646 -0.191) 1.837 0.861 ( -0.962 -0.463 0.294) 1.108 0.869 ( 0.368 0.035 2.427) 2.455 0.881 ( 1.698 1.057 -1.242) 2.354 0.888 ( -0.816 0.146 3.318) 3.420 0.899 ( 0.995 -0.826 2.192) 2.545 0.937 ( -1.090 -1.538 0.708) 2.014 0.952 ( -0.135 -1.118 2.020) 2.313 0.989 ( -0.871 -1.795 -1.026) 2.244 1.008 ( 0.061 -0.605 0.404) 0.730 1.014 ( -1.190 -0.476 -0.813) 1.518 1.038 ( 0.090 -0.224 0.379) 0.449 1.059 ( -1.289 -0.573 0.103) 1.414 1.068 ( -0.516 0.402 0.103) 0.662 1.086 ( -0.272 -0.194 -0.217) 0.399 1.096 ( -0.735 0.250 0.720) 1.059 1.120 ( -0.025 0.241 -0.220) 0.327 1.129 ( -0.670 -0.017 0.009) 0.670 1.139 ( 1.348 0.834 3.659) 3.988 1.157 ( 1.018 -0.941 0.907) 1.657 1.175 ( -1.133 0.032 0.405) 1.204 1.199 ( 1.901 0.341 0.334) 1.960 1.218 ( 0.303 0.073 0.349) 0.468 1.262 ( 0.579 1.997 1.696) 2.683 1.274 ( -1.521 0.340 -1.473) 2.145 1.283 ( -0.292 0.572 0.169) 0.664 1.302 ( 0.310 -0.546 0.739) 0.970 1.307 ( -1.544 2.332 1.073) 2.996 1.323 ( -0.985 -0.362 1.321) 1.687 1.339 ( -0.759 -0.350 0.918) 1.242 1.351 ( 0.016 0.653 0.048) 0.654 1.371 ( -0.056 0.983 0.123) 0.992 1.402 ( 0.006 1.187 -0.170) 1.199 1.440 ( -0.843 -0.801 -0.266) 1.193 1.445 ( -0.419 1.676 0.197) 1.738 1.493 ( 1.622 -0.459 0.033) 1.686 1.532 ( 0.846 -1.308 2.043) 2.569 1.572 ( -0.294 -0.410 -0.658) 0.829 1.574 ( -2.143 0.424 -0.296) 2.204 1.609 ( -0.011 0.386 1.506) 1.555 1.615 ( -3.200 -1.139 -0.750) 3.479 1.635 ( -0.326 -0.739 1.046) 1.322 1.654 ( -2.442 0.622 -0.564) 2.582 1.682 ( 0.724 1.197 0.412) 1.458 1.695 ( -0.015 1.078 -1.027) 1.489 1.722 ( 0.439 2.381 -2.624) 3.570 1.739 ( 1.215 0.875 -0.790) 1.693 1.799 ( -0.338 2.911 1.805) 3.442 1.818 ( 1.292 0.026 1.605) 2.061 1.826 ( -0.795 -1.069 -1.988) 2.393 1.894 ( -0.295 0.215 -1.051) 1.113 1.925 ( -0.748 -3.326 2.700) 4.349 1.941 ( -0.702 1.782 1.373) 2.357 1.970 ( -0.873 -0.610 2.328) 2.560 2.026 ( 1.326 -1.474 0.172) 1.990 2.041 ( -0.919 0.474 0.986) 1.429 2.106 ( -0.648 -0.250 0.142) 0.709 2.227 ( 0.427 0.008 -3.042) 3.072 2.259 ( -0.128 -1.447 -1.743) 2.269 2.282 ( -2.114 -1.273 0.035) 2.468 2.285 ( -0.096 0.176 -1.485) 1.498 2.301 ( -0.700 -2.129 -0.635) 2.329 2.325 ( -1.379 -1.108 -1.626) 2.403 2.406 ( -0.406 1.327 0.593) 1.509 2.428 ( 0.626 0.279 -0.278) 0.740 2.470 ( -1.287 0.257 0.279) 1.342 2.492 ( 2.724 0.961 -0.789) 2.995 2.522 ( 1.078 0.045 0.302) 1.121 2.580 ( 1.679 0.268 -0.045) 1.701 2.692 ( 1.418 -0.371 -0.946) 1.745 2.712 ( 0.991 -1.008 -1.340) 1.948 2.745 ( 1.280 1.373 -0.962) 2.109 2.771 ( 0.820 0.709 -0.900) 1.409 2.828 ( -0.664 0.611 0.045) 0.904 2.847 ( 0.666 -0.601 -0.038) 0.897 2.854 ( 0.232 -0.472 0.247) 0.581 2.856 ( -0.082 -0.434 0.670) 0.802 2.991 ( 0.078 1.769 -0.406) 1.816 3.050 ( 0.302 0.171 -1.820) 1.853 3.123 ( -0.957 0.345 0.965) 1.402 3.186 ( 0.529 -1.412 -0.692) 1.659 3.503 ( 0.256 2.472 0.395) 2.516 3.528 ( -0.471 1.113 -0.506) 1.310 3.627 ( -0.317 -1.437 1.442) 2.060 3.696 ( -0.386 -1.281 -0.023) 1.338 3.800 ( -0.011 2.063 -0.440) 2.109 3.822 ( -0.089 0.848 1.638) 1.847 3.865 ( 0.024 0.051 -0.428) 0.432 3.918 ( -0.285 -0.320 2.099) 2.142 3.943 ( 0.332 -1.323 -1.320) 1.898 4.027 ( 0.833 1.872 -0.647) 2.149 4.098 ( -0.034 -5.931 -0.592) 5.961 4.126 ( -1.146 -4.160 -2.313) 4.896 4.456 ( -1.441 4.999 0.678) 5.246 4.552 ( -0.857 5.608 -2.080) 6.043 4.601 ( -0.730 -1.422 0.723) 1.754 4.716 ( 1.779 -0.648 -0.668) 2.008 4.790 ( -0.090 7.341 -0.695) 7.374 5.039 ( 5.021 5.164 -7.549) 10.434 5.366 ( -2.078 -7.892 3.306) 8.805 5.511 ( 1.682 -1.165 -1.717) 2.671 5.551 ( -2.005 0.577 1.299) 2.458 5.586 ( -3.141 -0.569 3.899) 5.039 5.615 ( -0.347 -5.172 -0.730) 5.235 5.656 ( -0.563 -0.627 0.867) 1.209 5.698 ( -1.742 -0.504 2.811) 3.345 5.757 ( 0.484 -1.568 0.687) 1.779 5.828 ( -2.782 1.425 -0.303) 3.140 5.852 ( -0.569 -3.503 0.365) 3.568 5.917 ( 1.702 0.168 0.494) 1.780 6.020 ( -1.493 -2.516 3.557) 4.606 6.266 ( 2.956 1.334 -2.797) 4.283 6.316 ( 1.835 1.522 -1.333) 2.732 6.416 ( 0.729 -0.560 -0.484) 1.039 6.450 ( -0.214 -1.392 -0.948) 1.698 6.469 ( 1.132 0.718 -0.907) 1.618 6.496 ( 0.856 -0.067 -0.943) 1.275 6.566 ( 0.620 2.276 -3.097) 3.893 6.609 ( 0.457 2.364 -4.241) 4.877 6.644 ( -1.290 5.506 -0.737) 5.703 6.723 ( 0.163 0.867 0.804) 1.193 6.797 ( 0.042 -2.026 2.294) 3.061 6.816 ( 1.566 0.386 1.187) 2.003 6.892 ( -0.235 -1.926 0.613) 2.035 6.954 ( -1.202 -3.730 -0.893) 4.019 7.138 ( -1.544 1.803 0.326) 2.396 7.243 ( 3.298 -1.719 2.767) 4.635 7.361 ( 1.171 0.131 0.759) 1.402 7.378 ( 0.203 -0.149 -0.290) 0.384 7.513 ( -1.643 0.522 3.061) 3.513 7.565 ( -4.362 -1.092 -0.377) 4.513 7.700 ( -0.146 1.278 0.674) 1.452 7.740 ( 1.749 -0.716 -0.211) 1.902 7.869 ( -0.189 2.080 0.940) 2.290 7.960 ( 0.740 -0.579 -1.719) 1.959 8.110 ( -0.691 1.037 1.747) 2.146 8.172 ( 0.102 -1.070 -0.359) 1.133 8.742 ( -0.650 3.796 0.055) 3.852 8.788 ( 0.504 3.013 -0.680) 3.130 8.947 ( -1.060 -3.263 1.828) 3.888 9.019 ( -1.814 -4.710 1.059) 5.157 9.208 ( 2.463 1.223 0.693) 2.836 9.268 ( -0.265 -0.140 -1.331) 1.364 9.387 ( 0.982 0.165 -0.391) 1.070 9.396 ( 2.648 -0.369 -0.495) 2.719 9.453 ( 0.624 1.369 -0.234) 1.523 9.472 ( 0.416 1.312 -1.486) 2.026 9.635 ( -0.994 -1.863 0.243) 2.125 9.684 ( 0.161 -3.206 -0.116) 3.212 9.737 ( -1.431 -0.148 2.772) 3.123 9.774 ( -1.908 -1.424 2.361) 3.353 9.938 ( -0.154 1.976 -3.298) 3.848 9.947 ( -0.772 1.871 -2.414) 3.150 10.525 ( -0.443 -0.005 0.332) 0.554 10.529 ( -0.168 0.302 0.273) 0.440 10.561 ( 1.076 -0.992 0.279) 1.490 10.573 ( 0.497 -0.963 -0.003) 1.084 10.740 ( -1.289 1.893 0.571) 2.360 10.807 ( 0.078 3.391 -0.729) 3.470 10.845 ( -0.994 -1.372 0.623) 1.805 10.926 ( 0.548 -1.467 -0.904) 1.808 ======================= Grid point 32 (17/39) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.504 0.779 3.450) 6.543 0.597 ( -4.498 -1.252 -5.177) 6.971 0.643 ( -0.482 -2.386 -3.300) 4.101 0.664 ( -1.151 0.436 -0.893) 1.521 0.706 ( 1.361 0.060 -0.663) 1.515 0.757 ( -0.995 0.952 2.619) 2.959 0.767 ( 1.499 -1.148 -0.669) 2.003 0.806 ( -0.477 -1.457 0.834) 1.745 0.848 ( -1.242 -0.632 -1.809) 2.283 0.872 ( 1.120 -0.723 0.476) 1.416 0.880 ( 0.585 1.264 0.164) 1.403 0.903 ( -0.470 -0.587 -0.600) 0.962 0.920 ( 0.017 0.346 0.906) 0.970 0.946 ( -0.503 -2.611 0.287) 2.675 0.963 ( -1.061 -0.278 0.223) 1.119 0.980 ( -0.862 -1.241 2.545) 2.960 0.994 ( -0.138 -0.163 -0.270) 0.345 1.011 ( -0.320 -1.935 -0.313) 1.986 1.039 ( -0.361 -1.960 0.286) 2.014 1.043 ( -0.295 -1.033 1.722) 2.030 1.071 ( 0.325 0.890 0.832) 1.260 1.086 ( 0.746 -0.616 -0.118) 0.975 1.101 ( -0.158 0.387 -0.642) 0.767 1.116 ( 0.875 -0.346 1.584) 1.842 1.138 ( 0.878 0.082 0.162) 0.896 1.148 ( -1.242 0.134 -0.024) 1.249 1.176 ( -0.621 0.132 -0.611) 0.881 1.191 ( 0.341 -0.507 0.400) 0.730 1.208 ( -0.965 0.176 -0.560) 1.130 1.212 ( -0.135 0.955 -0.491) 1.082 1.243 ( -0.717 0.450 0.908) 1.241 1.267 ( -1.419 0.701 0.721) 1.739 1.286 ( -0.016 0.891 2.718) 2.860 1.291 ( -1.090 1.016 0.419) 1.548 1.314 ( -0.435 -0.365 -0.412) 0.702 1.335 ( 1.312 0.901 -0.064) 1.593 1.341 ( 0.449 1.436 0.416) 1.561 1.365 ( 0.315 0.261 1.085) 1.160 1.377 ( -0.653 0.551 0.951) 1.279 1.402 ( -0.518 -0.071 0.306) 0.606 1.424 ( -1.359 2.449 -0.817) 2.917 1.437 ( -0.705 0.953 2.082) 2.395 1.505 ( -0.771 -1.816 0.861) 2.153 1.519 ( -1.591 2.813 0.643) 3.294 1.549 ( -0.223 -0.970 0.037) 0.996 1.572 ( -0.122 -0.579 -1.378) 1.500 1.584 ( -0.359 0.235 1.291) 1.361 1.598 ( -3.078 -0.117 1.429) 3.395 1.603 ( 0.825 -0.683 -1.548) 1.882 1.643 ( -1.678 -1.991 0.229) 2.614 1.668 ( -0.246 1.766 -0.572) 1.872 1.719 ( 1.038 2.257 -0.020) 2.485 1.731 ( 2.533 2.065 0.219) 3.276 1.757 ( -1.960 -0.399 -1.082) 2.274 1.768 ( 3.096 1.706 -1.325) 3.775 1.818 ( 0.574 3.421 0.798) 3.559 1.844 ( 0.353 2.199 -1.207) 2.533 1.870 ( -1.215 0.808 1.080) 1.815 1.929 ( -1.816 -2.661 1.949) 3.766 1.948 ( -0.187 0.644 -0.066) 0.673 1.983 ( -0.590 -1.016 0.582) 1.311 2.026 ( -0.099 -1.799 1.077) 2.099 2.061 ( 0.616 -0.097 1.293) 1.436 2.098 ( -0.576 -0.960 0.599) 1.269 2.203 ( 0.476 0.283 -1.693) 1.781 2.248 ( 0.466 -0.419 -0.848) 1.055 2.260 ( -0.602 -1.292 -0.946) 1.711 2.270 ( 0.347 -2.535 -1.208) 2.829 2.286 ( -0.675 -0.667 0.334) 1.006 2.302 ( 0.500 -1.955 0.423) 2.062 2.413 ( 0.121 0.815 1.037) 1.324 2.443 ( 0.092 0.329 1.147) 1.197 2.454 ( -0.171 2.459 0.295) 2.483 2.530 ( 1.612 0.882 -0.705) 1.968 2.543 ( 0.742 -1.195 0.574) 1.519 2.589 ( -0.117 -0.253 -1.171) 1.204 2.718 ( 2.205 0.274 -0.228) 2.234 2.725 ( 1.532 -0.009 -1.019) 1.840 2.765 ( 0.963 0.961 -0.264) 1.386 2.787 ( 1.347 0.314 0.172) 1.394 2.812 ( -0.823 0.493 -0.458) 1.063 2.846 ( -0.408 -0.944 -1.087) 1.496 2.847 ( -0.279 -0.766 -0.975) 1.271 2.855 ( -0.372 -0.564 -0.054) 0.677 2.984 ( -0.118 1.498 -0.598) 1.617 3.035 ( 0.701 0.502 -2.487) 2.633 3.108 ( -1.293 0.584 0.620) 1.548 3.194 ( 0.730 -2.049 -0.227) 2.187 3.497 ( -0.347 1.415 -0.071) 1.459 3.522 ( -0.019 3.439 -0.841) 3.540 3.622 ( -0.898 -3.519 0.469) 3.662 3.691 ( -0.296 -1.652 -0.580) 1.776 3.793 ( 0.360 3.158 0.088) 3.180 3.834 ( -0.763 1.096 1.451) 1.972 3.861 ( -0.094 1.229 -0.901) 1.526 3.925 ( -1.068 -1.164 1.415) 2.121 3.941 ( 0.816 -1.274 -0.804) 1.713 4.030 ( 0.507 1.669 -1.374) 2.220 4.095 ( 0.246 -4.957 -0.189) 4.966 4.108 ( 0.688 -4.321 0.510) 4.405 4.439 ( -0.942 5.110 0.758) 5.251 4.522 ( -0.124 5.436 -1.778) 5.721 4.597 ( -0.323 -1.199 0.842) 1.500 4.729 ( 0.790 -1.245 -1.468) 2.081 4.787 ( 0.037 6.839 0.328) 6.847 5.042 ( 4.338 4.912 -8.227) 10.518 5.371 ( -1.824 -7.717 4.247) 8.995 5.517 ( 0.713 0.076 -1.518) 1.679 5.528 ( -1.826 -1.491 1.792) 2.961 5.593 ( -1.431 0.004 5.537) 5.719 5.611 ( 0.400 -4.434 -0.304) 4.462 5.657 ( -0.225 0.028 0.350) 0.417 5.696 ( -1.178 -0.502 2.025) 2.396 5.744 ( -1.913 -4.154 -0.840) 4.650 5.795 ( -0.661 1.747 0.623) 1.969 5.854 ( 0.644 -2.485 -0.186) 2.573 5.953 ( 0.460 0.141 2.035) 2.091 6.023 ( -1.794 -1.251 2.683) 3.461 6.280 ( 1.750 1.882 -2.973) 3.929 6.329 ( 1.748 2.040 -2.397) 3.600 6.419 ( -1.386 -0.515 -1.016) 1.795 6.433 ( 0.929 -1.550 0.038) 1.807 6.485 ( 1.699 1.132 -1.686) 2.647 6.497 ( 0.076 0.801 0.131) 0.815 6.569 ( 2.087 -0.194 -1.702) 2.700 6.605 ( 0.487 4.168 -0.257) 4.204 6.625 ( 1.348 3.480 0.073) 3.733 6.729 ( -0.724 -1.134 0.329) 1.384 6.773 ( -1.419 0.536 -1.415) 2.074 6.853 ( -0.617 -2.267 -0.417) 2.386 6.879 ( 0.309 -1.014 -0.004) 1.060 6.916 ( -0.993 -2.716 -1.851) 3.434 7.151 ( 0.957 3.001 2.358) 3.935 7.314 ( -0.114 -2.349 1.143) 2.615 7.369 ( -0.163 0.795 -0.850) 1.176 7.389 ( 1.062 -0.488 0.295) 1.206 7.488 ( -1.314 -0.166 0.354) 1.371 7.503 ( -2.570 -0.159 0.969) 2.751 7.704 ( -0.497 1.160 0.975) 1.594 7.760 ( 0.614 -1.406 -0.361) 1.576 7.877 ( -0.271 2.030 1.086) 2.318 7.957 ( 0.897 -0.425 -1.658) 1.933 8.118 ( -0.762 1.005 2.114) 2.462 8.175 ( 0.324 -0.953 0.055) 1.008 8.733 ( -0.487 3.802 0.297) 3.845 8.790 ( 0.473 3.114 -0.685) 3.223 8.945 ( -0.995 -3.483 1.639) 3.976 9.001 ( -1.000 -3.847 0.324) 3.988 9.263 ( 1.988 0.218 1.383) 2.431 9.268 ( 0.586 0.143 0.368) 0.706 9.384 ( 0.178 1.038 -0.715) 1.273 9.444 ( 2.075 -1.517 -0.347) 2.594 9.450 ( 0.450 1.147 -1.668) 2.073 9.482 ( 0.573 -0.032 0.108) 0.584 9.611 ( -1.151 -1.332 -0.504) 1.831 9.675 ( -0.402 -3.119 -1.165) 3.354 9.731 ( -1.786 0.011 2.019) 2.696 9.756 ( -2.015 -0.288 1.770) 2.697 9.904 ( 0.357 2.416 -2.818) 3.730 9.924 ( 0.656 1.401 -1.625) 2.243 10.522 ( -0.264 0.151 0.164) 0.345 10.529 ( -0.021 0.848 0.112) 0.855 10.576 ( 0.454 -1.049 -0.004) 1.143 10.584 ( 0.305 -1.607 -0.057) 1.637 10.729 ( -0.743 1.970 1.115) 2.383 10.802 ( 0.165 3.864 -0.527) 3.903 10.839 ( -0.564 -1.721 1.048) 2.092 10.925 ( 0.447 -1.448 -0.900) 1.763 ======================= Grid point 33 (18/39) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -7.265 2.393 -4.300) 8.775 0.502 ( -9.065 1.617 2.044) 9.432 0.653 ( 0.564 -0.420 -0.641) 0.951 0.665 ( 2.700 0.191 -2.131) 3.445 0.724 ( 1.623 -2.689 -0.552) 3.189 0.763 ( -0.407 -3.055 0.928) 3.219 0.785 ( 0.751 0.228 1.700) 1.873 0.803 ( -0.207 -0.790 -2.507) 2.636 0.835 ( 0.647 0.166 0.366) 0.761 0.858 ( -1.432 -1.602 -0.388) 2.184 0.881 ( -0.488 -0.305 0.386) 0.693 0.905 ( 1.205 0.898 -1.456) 2.092 0.921 ( -3.789 -0.288 0.049) 3.800 0.938 ( 1.237 -0.306 1.419) 1.907 0.958 ( 0.602 -0.697 1.649) 1.888 0.994 ( 1.282 -0.120 -0.910) 1.577 1.004 ( -0.321 0.341 -0.585) 0.750 1.011 ( -0.327 -1.260 0.236) 1.323 1.023 ( 0.079 1.170 0.583) 1.309 1.047 ( -1.202 -0.041 0.718) 1.401 1.060 ( -0.468 0.928 -0.159) 1.051 1.094 ( -1.022 0.359 -0.175) 1.098 1.107 ( 0.283 0.011 0.970) 1.010 1.128 ( -2.394 -0.106 1.775) 2.982 1.131 ( -0.933 0.008 -0.872) 1.277 1.142 ( 0.378 -0.224 -0.360) 0.568 1.169 ( 0.865 0.692 -0.546) 1.235 1.181 ( -0.657 -0.062 0.167) 0.681 1.199 ( 0.351 0.289 0.002) 0.454 1.210 ( -2.155 0.582 0.602) 2.312 1.234 ( 0.926 1.460 -0.005) 1.729 1.250 ( -1.309 0.214 2.235) 2.599 1.266 ( -1.142 1.294 -1.465) 2.264 1.287 ( -0.326 0.123 0.130) 0.372 1.296 ( -2.027 2.223 -0.061) 3.010 1.328 ( 0.518 0.476 1.611) 1.758 1.356 ( -0.360 0.656 1.397) 1.585 1.378 ( -0.930 1.801 1.390) 2.458 1.381 ( 0.332 -2.333 0.103) 2.359 1.403 ( 0.969 -0.410 1.474) 1.811 1.444 ( 0.796 -0.669 1.527) 1.848 1.453 ( 2.264 0.012 0.822) 2.408 1.489 ( -0.457 -1.008 -0.266) 1.138 1.533 ( -0.661 -1.802 -0.991) 2.160 1.541 ( -1.641 -0.130 -0.237) 1.663 1.562 ( 0.972 0.304 0.687) 1.228 1.574 ( 0.099 -0.839 -0.709) 1.103 1.588 ( 0.561 0.990 -0.144) 1.148 1.595 ( -0.883 -1.644 -1.051) 2.141 1.616 ( 1.261 -1.082 -1.073) 1.977 1.671 ( 1.180 2.242 -0.245) 2.546 1.718 ( -0.739 -0.267 -0.019) 0.786 1.732 ( 0.570 -0.172 -0.977) 1.144 1.770 ( -0.794 3.792 1.905) 4.318 1.804 ( -1.702 2.191 -0.375) 2.799 1.822 ( 4.053 1.017 -1.716) 4.517 1.853 ( -3.075 1.533 1.900) 3.926 1.871 ( 2.689 0.590 -0.582) 2.814 1.911 ( -0.849 -2.066 -0.293) 2.253 1.928 ( -0.813 -0.399 -0.665) 1.124 1.984 ( -0.765 -0.109 3.555) 3.638 2.043 ( -0.479 -0.889 1.332) 1.672 2.073 ( -1.150 0.294 1.950) 2.283 2.102 ( 0.810 0.431 -0.065) 0.920 2.212 ( 1.422 -0.148 -0.724) 1.603 2.245 ( 1.450 0.195 -2.103) 2.562 2.261 ( 1.515 -0.208 -0.143) 1.536 2.270 ( 1.112 -2.558 -1.021) 2.971 2.311 ( 0.967 -1.441 1.628) 2.379 2.327 ( 1.235 -2.695 1.559) 3.349 2.418 ( -0.679 1.128 0.254) 1.341 2.460 ( 0.296 -0.592 1.479) 1.621 2.465 ( -0.115 2.260 1.014) 2.479 2.527 ( -0.298 0.675 -1.642) 1.800 2.552 ( -1.021 -0.202 -1.108) 1.520 2.572 ( 0.532 -1.182 0.633) 1.442 2.726 ( -0.724 0.691 -0.798) 1.280 2.765 ( 1.876 0.108 0.530) 1.952 2.777 ( 0.340 0.718 0.570) 0.978 2.788 ( -0.684 0.076 -1.221) 1.402 2.802 ( -1.114 -0.742 0.247) 1.361 2.824 ( 0.663 -0.217 -1.645) 1.787 2.829 ( 0.127 -0.903 -1.247) 1.545 2.839 ( -0.510 -0.695 -1.243) 1.512 2.978 ( 0.620 1.257 -1.474) 2.034 3.032 ( 1.649 0.080 -1.795) 2.439 3.099 ( -0.548 0.547 1.245) 1.466 3.199 ( 0.160 -2.707 -0.619) 2.782 3.493 ( -1.842 1.930 0.492) 2.713 3.510 ( 0.758 0.654 0.419) 1.085 3.621 ( 0.650 -1.794 -0.873) 2.098 3.660 ( -0.595 -2.074 -2.954) 3.658 3.816 ( 0.786 2.296 0.915) 2.594 3.824 ( -1.602 2.735 0.571) 3.221 3.846 ( 0.130 3.490 -0.533) 3.532 3.916 ( -1.227 -1.652 1.152) 2.358 3.952 ( 1.029 -0.612 -0.647) 1.361 4.021 ( 0.467 1.829 -1.584) 2.465 4.116 ( 0.627 -5.835 1.061) 5.964 4.139 ( 1.766 -3.954 0.978) 4.439 4.441 ( 0.164 5.090 0.864) 5.165 4.513 ( 1.313 4.714 -1.812) 5.218 4.612 ( 0.586 -0.235 1.232) 1.385 4.714 ( -0.261 -0.900 -2.169) 2.363 4.799 ( 0.954 6.293 -0.114) 6.366 5.027 ( 3.973 5.250 -8.675) 10.891 5.380 ( -2.867 -7.467 5.291) 9.590 5.516 ( 0.461 0.434 -0.674) 0.924 5.532 ( -0.225 -0.702 2.555) 2.659 5.616 ( 0.450 -3.912 -0.509) 3.970 5.634 ( -0.627 -0.294 4.444) 4.497 5.655 ( 0.112 -0.711 0.058) 0.722 5.696 ( -0.992 -0.886 1.518) 2.019 5.707 ( -1.042 -5.544 0.287) 5.649 5.797 ( -0.198 2.067 1.229) 2.413 5.862 ( 1.131 -1.124 -1.840) 2.435 5.966 ( -2.151 -0.346 3.332) 3.981 6.017 ( -1.755 -0.677 2.373) 3.028 6.273 ( 0.980 1.771 -2.735) 3.402 6.329 ( 1.021 1.008 -2.576) 2.949 6.391 ( 0.113 0.359 -1.578) 1.623 6.449 ( 0.852 -1.610 0.300) 1.846 6.482 ( -0.526 1.760 -0.034) 1.838 6.520 ( 2.263 -0.459 -0.679) 2.407 6.586 ( 1.041 -0.665 -2.865) 3.120 6.614 ( 1.355 4.509 -0.365) 4.722 6.669 ( 0.562 2.698 1.627) 3.200 6.688 ( -1.689 -0.146 -1.751) 2.437 6.750 ( -0.314 1.546 -0.131) 1.583 6.809 ( -1.705 0.184 -1.350) 2.183 6.890 ( 1.206 -3.072 -1.996) 3.857 6.897 ( 0.879 -2.887 -0.834) 3.130 7.209 ( 0.473 0.866 3.698) 3.827 7.234 ( -4.250 0.380 -0.688) 4.322 7.383 ( 0.561 0.062 0.174) 0.590 7.406 ( -0.172 -0.763 0.052) 0.784 7.455 ( -2.816 0.087 0.282) 2.831 7.517 ( 2.646 -2.203 0.921) 3.564 7.703 ( -0.603 1.544 0.786) 1.834 7.760 ( -0.081 -0.891 -0.056) 0.897 7.878 ( -0.856 2.522 0.968) 2.834 7.958 ( 0.996 -0.401 -1.375) 1.745 8.122 ( -1.280 1.062 1.973) 2.580 8.182 ( 0.127 -1.065 0.272) 1.107 8.733 ( 0.169 3.877 0.380) 3.899 8.791 ( 0.419 3.044 -0.730) 3.158 8.946 ( -0.887 -3.592 1.597) 4.030 8.988 ( -0.656 -3.598 0.382) 3.677 9.277 ( -1.100 -0.800 1.211) 1.821 9.298 ( 0.134 -0.934 1.051) 1.412 9.391 ( 0.970 1.473 -0.486) 1.829 9.436 ( 0.207 0.126 -2.713) 2.724 9.468 ( 0.360 -0.177 0.978) 1.057 9.471 ( -1.253 0.088 1.159) 1.709 9.597 ( 0.525 -0.849 -1.471) 1.778 9.654 ( 0.561 -2.895 -2.149) 3.649 9.719 ( -1.684 0.370 1.808) 2.498 9.739 ( -1.692 0.018 1.583) 2.317 9.898 ( 2.194 3.073 -2.652) 4.614 9.936 ( 2.402 1.008 -1.608) 3.061 10.519 ( -0.199 0.175 0.171) 0.316 10.531 ( 0.028 0.884 0.109) 0.891 10.575 ( -0.976 -1.498 -0.265) 1.808 10.581 ( -0.053 -0.862 0.139) 0.875 10.737 ( 0.140 2.127 1.336) 2.516 10.804 ( 0.711 3.815 -0.534) 3.917 10.846 ( -0.093 -1.684 1.243) 2.095 10.923 ( 0.437 -1.497 -1.025) 1.867 ======================= Grid point 34 (19/39) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -2.813 8.027 4.620) 9.679 0.395 ( -6.033 7.556 6.775) 11.806 0.640 ( 0.655 -1.569 -1.209) 2.086 0.689 ( -1.569 3.782 2.506) 4.800 0.697 ( -2.284 -0.792 0.343) 2.442 0.764 ( 0.412 -3.494 -0.762) 3.599 0.773 ( -5.468 2.387 0.737) 6.012 0.809 ( -1.893 1.928 -0.329) 2.722 0.821 ( 1.257 1.198 1.018) 2.013 0.841 ( 0.521 -2.362 -1.028) 2.628 0.857 ( -0.022 -0.588 0.433) 0.731 0.906 ( 1.266 0.842 -0.552) 1.618 0.918 ( -1.153 0.151 0.126) 1.169 0.937 ( 0.723 0.068 0.038) 0.728 0.965 ( -1.357 -0.429 -0.526) 1.517 0.998 ( 1.855 0.178 0.573) 1.950 1.001 ( 0.913 0.121 0.857) 1.258 1.016 ( -0.831 0.169 0.060) 0.850 1.034 ( 0.354 0.394 0.351) 0.636 1.038 ( 0.702 -0.119 -0.628) 0.950 1.067 ( -0.819 0.523 1.464) 1.757 1.079 ( 0.572 -0.592 -1.119) 1.389 1.105 ( -1.681 0.157 0.789) 1.863 1.121 ( 0.029 -0.063 -0.850) 0.853 1.125 ( 1.239 -1.166 1.340) 2.165 1.147 ( -0.480 0.809 0.796) 1.233 1.154 ( -0.433 -0.775 -0.351) 0.955 1.173 ( -0.153 0.551 -0.690) 0.896 1.175 ( -0.450 1.978 -0.947) 2.238 1.215 ( 0.580 0.194 0.028) 0.613 1.223 ( -0.872 0.668 -0.293) 1.137 1.250 ( -0.170 -0.071 2.411) 2.418 1.258 ( -2.017 -0.546 1.427) 2.530 1.292 ( 1.632 1.214 -0.214) 2.045 1.319 ( 1.295 1.077 0.901) 1.910 1.346 ( -0.648 -0.153 1.705) 1.830 1.372 ( 0.822 0.716 0.751) 1.324 1.382 ( -0.961 0.473 1.401) 1.763 1.390 ( 0.383 -2.610 0.280) 2.653 1.426 ( 0.260 -1.195 0.183) 1.236 1.458 ( -0.741 -0.625 1.757) 2.007 1.471 ( -1.561 -1.122 -0.628) 2.023 1.476 ( -1.115 -1.147 0.254) 1.620 1.497 ( -0.767 -1.012 -0.399) 1.331 1.533 ( 0.771 0.462 -0.871) 1.252 1.555 ( 1.108 -1.226 -1.424) 2.182 1.590 ( 2.719 1.277 -0.613) 3.066 1.593 ( 1.860 0.224 -1.818) 2.610 1.625 ( 1.875 -0.268 1.076) 2.178 1.651 ( 3.126 -0.592 -0.167) 3.186 1.686 ( 0.302 0.661 -0.849) 1.117 1.720 ( -0.250 0.068 -0.752) 0.796 1.729 ( 0.010 1.746 2.392) 2.962 1.763 ( -1.860 0.953 -0.273) 2.107 1.780 ( 0.407 0.321 -0.603) 0.795 1.801 ( -3.394 1.538 1.025) 3.864 1.866 ( 1.255 0.306 -0.008) 1.292 1.885 ( -0.216 -3.939 -0.997) 4.069 1.897 ( 0.126 1.405 -1.169) 1.833 1.926 ( 0.048 0.127 1.709) 1.715 1.993 ( -3.008 -1.414 3.784) 5.036 2.034 ( -2.017 -0.784 1.737) 2.774 2.069 ( -1.418 1.010 1.730) 2.455 2.118 ( 0.906 1.356 -0.380) 1.675 2.235 ( 1.941 -0.142 -0.901) 2.144 2.267 ( 2.251 -0.278 -1.577) 2.762 2.279 ( 0.871 -1.620 -0.930) 2.061 2.301 ( 3.414 -0.446 -1.402) 3.717 2.337 ( 0.528 -0.806 0.041) 0.965 2.356 ( -0.573 -1.634 0.501) 1.803 2.396 ( -0.890 0.896 -0.459) 1.344 2.465 ( -0.061 0.636 0.864) 1.074 2.477 ( -0.671 -0.788 1.620) 1.922 2.496 ( -0.808 -0.671 -1.559) 1.880 2.512 ( -1.050 -0.091 -2.374) 2.598 2.590 ( -0.794 -1.135 0.342) 1.427 2.678 ( -1.879 1.757 -0.621) 2.647 2.761 ( -0.944 -0.772 -0.960) 1.552 2.772 ( -0.334 0.147 -0.883) 0.956 2.792 ( -0.163 0.712 -0.049) 0.732 2.793 ( 0.939 0.069 -0.811) 1.243 2.819 ( 0.576 -0.148 -0.315) 0.673 2.830 ( 0.569 -0.690 -0.065) 0.897 2.835 ( 0.775 -0.459 -0.217) 0.926 2.980 ( 1.383 1.354 -1.584) 2.501 3.048 ( 1.377 -0.198 -1.142) 1.800 3.108 ( -0.499 -0.074 1.668) 1.743 3.191 ( 0.312 -2.250 -1.083) 2.516 3.469 ( -1.638 1.192 2.035) 2.872 3.526 ( -0.441 -1.735 0.686) 1.917 3.625 ( 1.614 0.251 -0.390) 1.680 3.636 ( 0.819 -0.187 -1.773) 1.962 3.791 ( -1.214 4.820 -0.908) 5.053 3.823 ( -0.999 0.644 1.659) 2.041 3.867 ( 1.169 3.438 0.362) 3.649 3.907 ( -0.828 -1.422 0.661) 1.773 3.960 ( 0.696 -0.352 -1.101) 1.349 4.017 ( 0.632 2.076 -1.149) 2.455 4.127 ( -0.012 -5.974 -0.121) 5.975 4.177 ( 1.351 -4.578 -0.342) 4.785 4.457 ( 0.477 4.833 0.751) 4.914 4.539 ( 3.474 3.380 -1.657) 5.123 4.634 ( 0.261 0.705 0.708) 1.032 4.680 ( -0.418 -0.661 -2.285) 2.415 4.811 ( 1.404 8.779 -2.208) 9.160 5.016 ( 4.620 5.475 -8.058) 10.782 5.378 ( -3.170 -7.279 5.074) 9.422 5.516 ( 0.374 0.783 -1.072) 1.379 5.557 ( -0.413 1.610 2.602) 3.088 5.615 ( 0.431 -4.196 -1.418) 4.450 5.657 ( 0.632 -1.671 1.337) 2.231 5.661 ( -1.251 -4.586 1.844) 5.099 5.685 ( -1.629 -0.582 1.127) 2.064 5.718 ( -0.214 -4.119 2.844) 5.011 5.823 ( 1.722 0.925 0.967) 2.181 5.858 ( 1.335 0.425 -2.391) 2.771 5.945 ( -4.388 -0.721 3.690) 5.778 6.006 ( -2.095 -1.251 2.839) 3.744 6.261 ( 0.936 1.500 -3.286) 3.731 6.313 ( 0.089 0.460 -1.973) 2.027 6.393 ( 1.904 0.643 -1.825) 2.715 6.463 ( 0.408 -0.960 -1.081) 1.502 6.472 ( -0.049 0.711 -1.192) 1.389 6.520 ( -0.131 0.212 -4.646) 4.653 6.568 ( 1.033 1.537 1.847) 2.616 6.633 ( 0.948 -0.626 -0.478) 1.232 6.670 ( 0.431 4.831 1.113) 4.976 6.674 ( -0.264 3.241 -0.735) 3.334 6.757 ( 0.276 2.654 1.045) 2.866 6.774 ( -1.669 0.703 -0.220) 1.824 6.872 ( 0.394 -2.600 -2.246) 3.458 6.936 ( 2.729 -3.451 -0.198) 4.404 7.152 ( -2.288 0.622 0.899) 2.536 7.269 ( -1.705 -5.180 3.171) 6.309 7.356 ( -1.267 0.171 -0.649) 1.434 7.385 ( -1.996 -1.352 0.024) 2.411 7.452 ( 0.846 2.342 2.285) 3.380 7.581 ( 2.758 -2.483 0.807) 3.797 7.698 ( -0.192 1.749 -0.042) 1.760 7.757 ( -0.569 -0.301 -0.171) 0.665 7.870 ( -1.012 2.697 1.268) 3.147 7.963 ( 0.944 -0.520 -1.210) 1.620 8.114 ( -1.473 1.051 1.687) 2.474 8.183 ( -0.198 -1.238 0.031) 1.254 8.746 ( 0.945 3.663 -0.146) 3.786 8.790 ( 0.405 3.051 -0.964) 3.225 8.942 ( -1.060 -3.588 1.319) 3.967 9.001 ( 0.490 -3.953 2.722) 4.825 9.233 ( -4.481 -1.139 0.649) 4.669 9.309 ( 0.609 -0.941 0.378) 1.183 9.370 ( -1.962 -0.522 -1.345) 2.435 9.403 ( -0.530 -0.490 -1.722) 1.867 9.462 ( 0.568 2.074 -1.025) 2.382 9.550 ( 3.445 -0.725 4.565) 5.765 9.561 ( -1.362 1.464 -3.711) 4.216 9.660 ( 1.380 -2.735 -0.845) 3.178 9.714 ( -1.239 0.286 2.601) 2.896 9.733 ( -1.041 -0.145 2.771) 2.964 9.929 ( 4.491 3.382 -3.269) 6.503 9.968 ( 2.959 1.031 -2.166) 3.809 10.520 ( -0.006 -0.074 0.425) 0.431 10.535 ( 0.194 0.234 0.349) 0.463 10.551 ( -1.212 -1.054 0.041) 1.606 10.577 ( -0.458 -0.736 0.020) 0.867 10.756 ( 0.428 2.309 0.809) 2.483 10.815 ( 1.122 3.327 -0.798) 3.601 10.856 ( -0.230 -1.466 0.954) 1.764 10.919 ( 0.343 -1.323 -1.030) 1.711 ======================= Grid point 35 (20/39) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.512 -6.846 2.948) 7.471 0.527 ( 0.512 6.846 2.948) 7.471 0.598 ( -2.047 -5.133 7.465) 9.288 0.598 ( -2.047 5.133 7.465) 9.288 0.744 ( 2.089 -0.486 -2.353) 3.184 0.744 ( 2.089 0.486 -2.353) 3.184 0.796 ( -1.011 -1.481 -1.697) 2.468 0.796 ( -1.011 1.481 -1.697) 2.468 0.842 ( 2.737 -1.221 -0.323) 3.014 0.842 ( 2.737 1.221 -0.323) 3.014 0.886 ( -1.882 -0.823 1.121) 2.340 0.886 ( -1.882 0.823 1.121) 2.340 0.918 ( -1.177 -2.381 -0.449) 2.694 0.918 ( -1.177 2.381 -0.449) 2.694 0.970 ( 0.641 -1.495 -1.867) 2.476 0.970 ( 0.641 1.495 -1.867) 2.476 1.038 ( -1.297 -1.494 0.796) 2.132 1.038 ( -1.297 1.494 0.796) 2.132 1.050 ( 0.523 -1.381 -0.646) 1.611 1.050 ( 0.523 1.381 -0.646) 1.611 1.074 ( 0.317 -0.691 0.255) 0.802 1.074 ( 0.317 0.691 0.255) 0.802 1.098 ( -0.111 -0.664 0.107) 0.682 1.098 ( -0.111 0.664 0.107) 0.682 1.140 ( -1.977 -2.530 2.365) 3.988 1.140 ( -1.977 2.530 2.365) 3.988 1.160 ( -0.312 -1.318 1.476) 2.003 1.160 ( -0.312 1.318 1.476) 2.003 1.188 ( 1.102 -0.707 -0.622) 1.449 1.188 ( 1.102 0.707 -0.622) 1.449 1.256 ( 0.887 -0.948 1.985) 2.372 1.256 ( 0.887 0.948 1.985) 2.372 1.304 ( -0.749 -1.713 -0.066) 1.871 1.304 ( -0.749 1.713 -0.066) 1.871 1.338 ( -0.826 -1.123 0.789) 1.602 1.338 ( -0.826 1.123 0.789) 1.602 1.359 ( -1.534 -1.328 1.430) 2.482 1.359 ( -1.534 1.328 1.430) 2.482 1.395 ( 0.423 -2.618 -0.138) 2.655 1.395 ( 0.423 2.618 -0.138) 2.655 1.443 ( -0.432 -1.250 0.344) 1.367 1.443 ( -0.432 1.250 0.344) 1.367 1.480 ( 0.107 -0.639 0.773) 1.009 1.480 ( 0.107 0.639 0.773) 1.009 1.559 ( 1.602 -0.715 0.442) 1.809 1.559 ( 1.602 0.715 0.442) 1.809 1.643 ( 0.999 -1.834 0.318) 2.113 1.643 ( 0.999 1.834 0.318) 2.113 1.668 ( 0.573 -1.274 -1.165) 1.819 1.668 ( 0.573 1.274 -1.165) 1.819 1.710 ( 1.099 -1.075 -1.693) 2.287 1.710 ( 1.099 1.075 -1.693) 2.287 1.729 ( -1.261 -2.180 -1.315) 2.842 1.729 ( -1.261 2.180 -1.315) 2.842 1.769 ( -0.068 -0.649 1.654) 1.779 1.769 ( -0.068 0.649 1.654) 1.779 1.858 ( -0.008 -3.277 1.253) 3.508 1.858 ( -0.008 3.277 1.253) 3.508 1.919 ( -0.868 -1.957 1.512) 2.621 1.919 ( -0.868 1.957 1.512) 2.621 1.991 ( -1.263 -0.976 1.222) 2.010 1.991 ( -1.263 0.976 1.222) 2.010 2.107 ( -0.957 -2.739 -0.223) 2.910 2.107 ( -0.957 2.739 -0.223) 2.910 2.246 ( 0.511 -0.423 -1.232) 1.399 2.246 ( 0.511 0.423 -1.232) 1.399 2.299 ( -0.075 -0.423 -0.959) 1.051 2.299 ( -0.075 0.423 -0.959) 1.051 2.328 ( -0.336 -0.951 -1.336) 1.674 2.328 ( -0.336 0.951 -1.336) 1.674 2.436 ( -0.032 -1.450 -0.857) 1.684 2.436 ( -0.032 1.450 -0.857) 1.684 2.453 ( 0.579 -1.788 0.331) 1.908 2.453 ( 0.579 1.788 0.331) 1.908 2.541 ( 0.537 -2.014 -0.381) 2.119 2.541 ( 0.537 2.014 -0.381) 2.119 2.701 ( -0.686 -1.328 -0.863) 1.726 2.701 ( -0.686 1.328 -0.863) 1.726 2.770 ( 0.491 -0.619 -1.580) 1.767 2.770 ( 0.491 0.619 -1.580) 1.767 2.825 ( 0.790 -0.599 0.503) 1.112 2.825 ( 0.790 0.599 0.503) 1.112 2.842 ( 0.244 -0.251 0.693) 0.776 2.842 ( 0.244 0.251 0.693) 0.776 3.032 ( 0.516 -2.021 -0.229) 2.098 3.032 ( 0.516 2.021 -0.229) 2.098 3.146 ( 0.461 -2.110 -0.058) 2.161 3.146 ( 0.461 2.110 -0.058) 2.161 3.510 ( 0.522 -1.059 2.568) 2.826 3.510 ( 0.522 1.059 2.568) 2.826 3.644 ( 0.454 -1.151 -0.573) 1.364 3.644 ( 0.454 1.151 -0.573) 1.364 3.831 ( -0.348 -0.752 0.955) 1.264 3.831 ( -0.348 0.752 0.955) 1.264 3.913 ( -0.695 -2.826 -1.532) 3.289 3.913 ( -0.695 2.826 -1.532) 3.289 3.975 ( -0.063 -5.683 -0.199) 5.686 3.975 ( -0.063 5.683 -0.199) 5.686 4.079 ( 0.261 -3.315 -1.733) 3.750 4.079 ( 0.261 3.315 -1.733) 3.750 4.552 ( -0.052 -3.015 0.670) 3.089 4.552 ( -0.052 3.015 0.670) 3.089 4.664 ( 0.885 -2.037 -1.634) 2.757 4.664 ( 0.885 2.037 -1.634) 2.757 5.011 ( 1.236 -8.558 -2.562) 9.019 5.011 ( 1.236 8.558 -2.562) 9.019 5.365 ( 1.119 -8.964 -3.224) 9.592 5.365 ( 1.119 8.964 -3.224) 9.592 5.578 ( -1.499 -1.515 1.092) 2.394 5.578 ( -1.499 1.515 1.092) 2.394 5.625 ( -1.841 -2.512 2.786) 4.178 5.625 ( -1.841 2.512 2.786) 4.178 5.694 ( -0.474 -1.149 2.770) 3.036 5.694 ( -0.474 1.149 2.770) 3.036 5.860 ( 1.267 -1.330 -1.327) 2.266 5.860 ( 1.267 1.330 -1.327) 2.266 5.939 ( -2.848 -3.270 3.535) 5.594 5.939 ( -2.848 3.270 3.535) 5.594 6.283 ( 1.429 -1.839 -2.597) 3.488 6.283 ( 1.429 1.839 -2.597) 3.488 6.428 ( 0.799 -1.191 -1.030) 1.765 6.428 ( 0.799 1.191 -1.030) 1.765 6.476 ( 0.782 -0.866 -2.335) 2.610 6.476 ( 0.782 0.866 -2.335) 2.610 6.656 ( 1.533 -1.721 -2.069) 3.097 6.656 ( 1.533 1.721 -2.069) 3.097 6.725 ( -0.955 -1.620 1.994) 2.741 6.725 ( -0.955 1.620 1.994) 2.741 6.785 ( 0.771 -5.283 -0.017) 5.339 6.785 ( 0.771 5.283 -0.017) 5.339 6.874 ( -0.068 -5.010 0.331) 5.021 6.874 ( -0.068 5.010 0.331) 5.021 7.166 ( -0.507 -0.960 1.387) 1.761 7.166 ( -0.507 0.960 1.387) 1.761 7.349 ( -0.103 -0.586 0.740) 0.949 7.349 ( -0.103 0.586 0.740) 0.949 7.554 ( -0.711 -3.134 2.262) 3.930 7.554 ( -0.711 3.134 2.262) 3.930 7.722 ( 0.034 -0.542 -0.888) 1.040 7.722 ( 0.034 0.542 -0.888) 1.040 7.927 ( -0.288 -2.686 0.053) 2.702 7.927 ( -0.288 2.686 0.053) 2.702 8.142 ( -0.407 -1.864 0.354) 1.941 8.142 ( -0.407 1.864 0.354) 1.941 8.822 ( 0.520 -2.077 -0.735) 2.264 8.822 ( 0.520 2.077 -0.735) 2.264 8.919 ( -0.970 -3.418 2.051) 4.102 8.919 ( -0.970 3.418 2.051) 4.102 9.244 ( -0.764 -3.473 0.061) 3.557 9.244 ( -0.764 3.473 0.061) 3.557 9.367 ( 1.192 -1.535 -1.107) 2.237 9.367 ( 1.192 1.535 -1.107) 2.237 9.504 ( -0.650 -1.710 -1.261) 2.222 9.504 ( -0.650 1.710 -1.261) 2.222 9.623 ( 0.768 -1.733 -0.030) 1.896 9.623 ( 0.768 1.733 -0.030) 1.896 9.737 ( -1.094 -0.900 3.602) 3.870 9.737 ( -1.094 0.900 3.602) 3.870 9.987 ( 1.570 -0.810 -3.250) 3.699 9.987 ( 1.570 0.810 -3.250) 3.699 10.524 ( -0.169 -0.052 0.429) 0.464 10.524 ( -0.169 0.052 0.429) 0.464 10.552 ( 0.118 -0.885 -0.286) 0.937 10.552 ( 0.118 0.885 -0.286) 0.937 10.809 ( -0.837 -2.318 0.330) 2.487 10.809 ( -0.837 2.318 0.330) 2.487 10.881 ( 0.483 -2.410 -0.728) 2.564 10.881 ( 0.483 2.410 -0.728) 2.564 ======================= Grid point 37 (21/39) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.166 -7.393 3.523) 8.191 0.551 ( -0.166 7.393 3.523) 8.191 0.654 ( -0.471 -1.731 2.193) 2.833 0.654 ( -0.471 1.731 2.193) 2.833 0.736 ( 0.006 -0.773 -2.371) 2.494 0.736 ( 0.006 0.773 -2.371) 2.494 0.781 ( 0.403 -2.256 0.480) 2.341 0.781 ( 0.403 2.256 0.480) 2.341 0.858 ( -1.049 -0.701 0.441) 1.337 0.858 ( -1.049 0.701 0.441) 1.337 0.873 ( -0.217 -0.444 0.952) 1.073 0.873 ( -0.217 0.444 0.952) 1.073 0.929 ( 1.576 -1.303 0.298) 2.066 0.929 ( 1.576 1.303 0.298) 2.066 0.954 ( -0.002 -1.882 -1.092) 2.176 0.954 ( -0.002 1.882 -1.092) 2.176 1.000 ( -1.486 -1.003 -0.644) 1.905 1.000 ( -1.486 1.003 -0.644) 1.905 1.044 ( -1.230 -0.853 -0.138) 1.503 1.044 ( -1.230 0.853 -0.138) 1.503 1.078 ( -0.258 -0.553 -0.268) 0.666 1.078 ( -0.258 0.553 -0.268) 0.666 1.116 ( 0.182 -1.395 0.668) 1.557 1.116 ( 0.182 1.395 0.668) 1.557 1.124 ( 0.479 -0.357 0.293) 0.665 1.124 ( 0.479 0.357 0.293) 0.665 1.167 ( -1.000 -0.822 2.379) 2.708 1.167 ( -1.000 0.822 2.379) 2.708 1.210 ( 1.290 -0.768 -0.071) 1.503 1.210 ( 1.290 0.768 -0.071) 1.503 1.278 ( -1.246 -0.506 -0.231) 1.365 1.278 ( -1.246 0.506 -0.231) 1.365 1.302 ( 0.742 -0.386 1.622) 1.825 1.302 ( 0.742 0.386 1.622) 1.825 1.321 ( -1.113 -0.904 0.040) 1.435 1.321 ( -1.113 0.904 0.040) 1.435 1.359 ( -0.671 -1.500 1.363) 2.135 1.359 ( -0.671 1.500 1.363) 2.135 1.394 ( -0.115 -2.300 0.087) 2.304 1.394 ( -0.115 2.300 0.087) 2.304 1.465 ( 1.475 -1.957 1.001) 2.647 1.465 ( 1.475 1.957 1.001) 2.647 1.490 ( -0.355 -1.716 1.382) 2.232 1.490 ( -0.355 1.716 1.382) 2.232 1.573 ( -0.958 -0.870 -0.384) 1.350 1.573 ( -0.958 0.870 -0.384) 1.350 1.615 ( -1.315 -1.533 -0.361) 2.051 1.615 ( -1.315 1.533 -0.361) 2.051 1.647 ( -2.025 -1.646 0.052) 2.610 1.647 ( -2.025 1.646 0.052) 2.610 1.718 ( 1.258 -2.533 -1.629) 3.263 1.718 ( 1.258 2.533 -1.629) 3.263 1.736 ( 1.113 -2.757 0.865) 3.096 1.736 ( 1.113 2.757 0.865) 3.096 1.797 ( 2.001 -1.974 0.289) 2.825 1.797 ( 2.001 1.974 0.289) 2.825 1.864 ( -1.275 -2.476 1.869) 3.354 1.864 ( -1.275 2.476 1.869) 3.354 1.932 ( 0.787 -2.682 0.417) 2.826 1.932 ( 0.787 2.682 0.417) 2.826 1.981 ( -0.785 -1.842 0.373) 2.037 1.981 ( -0.785 1.842 0.373) 2.037 2.084 ( -1.221 -2.302 0.032) 2.606 2.084 ( -1.221 2.302 0.032) 2.606 2.230 ( -0.121 -0.500 -1.844) 1.914 2.230 ( -0.121 0.500 -1.844) 1.914 2.266 ( -1.886 -0.691 -0.644) 2.110 2.266 ( -1.886 0.691 -0.644) 2.110 2.302 ( -0.825 -1.012 -1.010) 1.650 2.302 ( -0.825 1.012 -1.010) 1.650 2.432 ( 0.559 -0.677 -1.066) 1.381 2.432 ( 0.559 0.677 -1.066) 1.381 2.472 ( 0.541 -0.749 1.211) 1.523 2.472 ( 0.541 0.749 1.211) 1.523 2.565 ( 1.847 -1.738 -0.676) 2.625 2.565 ( 1.847 1.738 -0.676) 2.625 2.694 ( 1.203 -0.555 -0.915) 1.611 2.694 ( 1.203 0.555 -0.915) 1.611 2.772 ( 1.037 -0.713 -0.914) 1.555 2.772 ( 1.037 0.713 -0.914) 1.555 2.838 ( 0.144 -0.288 0.028) 0.323 2.838 ( 0.144 0.288 0.028) 0.323 2.848 ( -0.240 -0.274 0.367) 0.517 2.848 ( -0.240 0.274 0.367) 0.517 3.032 ( 0.029 -1.701 -0.592) 1.802 3.032 ( 0.029 1.701 -0.592) 1.802 3.147 ( -0.200 -1.840 -0.042) 1.851 3.147 ( -0.200 1.840 -0.042) 1.851 3.546 ( 0.220 -1.449 1.752) 2.284 3.546 ( 0.220 1.449 1.752) 2.284 3.633 ( -0.553 -3.236 -0.896) 3.403 3.633 ( -0.553 3.236 -0.896) 3.403 3.845 ( 0.358 -1.040 1.211) 1.636 3.845 ( 0.358 1.040 1.211) 1.636 3.883 ( -0.570 -3.829 -1.134) 4.034 3.883 ( -0.570 3.829 -1.134) 4.034 3.974 ( -0.244 -4.934 0.375) 4.954 3.974 ( -0.244 4.934 0.375) 4.954 4.063 ( 0.328 -1.827 -1.857) 2.626 4.063 ( 0.328 1.827 -1.857) 2.626 4.549 ( -0.996 -3.458 0.617) 3.651 4.549 ( -0.996 3.458 0.617) 3.651 4.657 ( 0.433 -3.986 -1.718) 4.362 4.657 ( 0.433 3.986 -1.718) 4.362 5.005 ( 0.655 -9.947 -1.519) 10.083 5.005 ( 0.655 9.947 -1.519) 10.083 5.358 ( 2.002 -8.942 -3.468) 9.798 5.358 ( 2.002 8.942 -3.468) 9.798 5.561 ( -1.904 -0.731 1.700) 2.655 5.561 ( -1.904 0.731 1.700) 2.655 5.618 ( -1.982 -2.487 3.342) 4.614 5.618 ( -1.982 2.487 3.342) 4.614 5.706 ( -1.382 -1.362 2.129) 2.880 5.706 ( -1.382 1.362 2.129) 2.880 5.853 ( 0.257 -0.986 -2.385) 2.593 5.853 ( 0.257 0.986 -2.385) 2.593 5.946 ( -0.802 -3.539 3.911) 5.335 5.946 ( -0.802 3.539 3.911) 5.335 6.302 ( 2.805 -1.795 -1.960) 3.864 6.302 ( 2.805 1.795 -1.960) 3.864 6.422 ( -0.233 -0.964 -0.702) 1.215 6.422 ( -0.233 0.964 -0.702) 1.215 6.488 ( 1.862 -0.825 -1.057) 2.294 6.488 ( 1.862 0.825 -1.057) 2.294 6.614 ( 0.204 -1.321 -4.617) 4.807 6.614 ( 0.204 1.321 -4.617) 4.807 6.749 ( -1.054 -1.664 2.593) 3.257 6.749 ( -1.054 1.664 2.593) 3.257 6.793 ( -0.371 -5.481 -0.387) 5.507 6.793 ( -0.371 5.481 -0.387) 5.507 6.869 ( -0.118 -2.252 0.446) 2.299 6.869 ( -0.118 2.252 0.446) 2.299 7.192 ( 1.517 -2.824 1.354) 3.480 7.192 ( 1.517 2.824 1.354) 3.480 7.370 ( 1.155 -0.567 0.404) 1.349 7.370 ( 1.155 0.567 0.404) 1.349 7.535 ( -3.153 -1.441 1.696) 3.859 7.535 ( -3.153 1.441 1.696) 3.859 7.723 ( 0.578 -0.882 -0.272) 1.089 7.723 ( 0.578 0.882 -0.272) 1.089 7.924 ( -0.013 -2.551 0.053) 2.552 7.924 ( -0.013 2.551 0.053) 2.552 8.141 ( -0.052 -1.677 0.353) 1.715 8.141 ( -0.052 1.677 0.353) 1.715 8.824 ( 0.373 -2.550 -0.562) 2.638 8.824 ( 0.373 2.550 -0.562) 2.638 8.916 ( -1.326 -3.275 1.569) 3.866 8.916 ( -1.326 3.275 1.569) 3.866 9.245 ( 0.745 -1.780 0.145) 1.935 9.245 ( 0.745 1.780 0.145) 1.935 9.391 ( 2.118 -0.432 -1.093) 2.422 9.391 ( 2.118 0.432 -1.093) 2.422 9.481 ( -0.531 -0.841 -0.547) 1.135 9.481 ( -0.531 0.841 -0.547) 1.135 9.628 ( -0.062 -1.625 -0.197) 1.638 9.628 ( -0.062 1.625 -0.197) 1.638 9.747 ( -1.611 -1.002 2.906) 3.471 9.747 ( -1.611 1.002 2.906) 3.471 9.962 ( -0.169 -0.521 -2.955) 3.005 9.962 ( -0.169 0.521 -2.955) 3.005 10.531 ( 0.370 -0.800 0.333) 0.943 10.531 ( 0.370 0.800 0.333) 0.943 10.554 ( 0.291 -0.801 -0.229) 0.883 10.554 ( 0.291 0.801 -0.229) 0.883 10.794 ( -1.147 -2.652 0.625) 2.956 10.794 ( -1.147 2.652 0.625) 2.956 10.880 ( 0.301 -2.747 -0.721) 2.856 10.880 ( 0.301 2.747 -0.721) 2.856 ======================= Grid point 39 (22/39) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -3.267 -0.615 -2.617) 4.231 0.588 ( -3.267 0.615 -2.617) 4.231 0.614 ( 2.422 -3.808 1.435) 4.735 0.614 ( 2.422 3.808 1.435) 4.735 0.719 ( -0.911 -2.067 -1.024) 2.480 0.719 ( -0.911 2.067 -1.024) 2.480 0.791 ( -0.184 -0.981 1.201) 1.561 0.791 ( -0.184 0.981 1.201) 1.561 0.859 ( -0.028 -0.793 -0.260) 0.835 0.859 ( -0.028 0.793 -0.260) 0.835 0.881 ( -0.437 -1.380 0.318) 1.482 0.881 ( -0.437 1.380 0.318) 1.482 0.928 ( -0.602 -1.915 1.000) 2.242 0.928 ( -0.602 1.915 1.000) 2.242 0.965 ( -0.386 -2.152 -1.011) 2.409 0.965 ( -0.386 2.152 -1.011) 2.409 0.983 ( 0.324 -1.456 1.651) 2.225 0.983 ( 0.324 1.456 1.651) 2.225 1.024 ( -0.225 -1.192 0.953) 1.543 1.024 ( -0.225 1.192 0.953) 1.543 1.082 ( 0.762 -0.605 0.239) 1.001 1.082 ( 0.762 0.605 0.239) 1.001 1.111 ( -0.570 -0.400 0.484) 0.848 1.111 ( -0.570 0.400 0.484) 0.848 1.144 ( 0.490 -0.846 0.350) 1.039 1.144 ( 0.490 0.846 0.350) 1.039 1.179 ( -0.085 -0.639 -0.077) 0.649 1.179 ( -0.085 0.639 -0.077) 0.649 1.214 ( -0.933 -0.445 0.614) 1.202 1.214 ( -0.933 0.445 0.614) 1.202 1.262 ( -0.384 -0.904 0.515) 1.109 1.262 ( -0.384 0.904 0.515) 1.109 1.299 ( -0.939 -1.146 -0.461) 1.552 1.299 ( -0.939 1.146 -0.461) 1.552 1.327 ( -0.046 -1.208 1.552) 1.967 1.327 ( -0.046 1.208 1.552) 1.967 1.366 ( 0.200 -1.869 1.601) 2.469 1.366 ( 0.200 1.869 1.601) 2.469 1.388 ( -0.377 -1.531 -0.605) 1.689 1.388 ( -0.377 1.531 -0.605) 1.689 1.459 ( -0.488 -1.985 -0.510) 2.107 1.459 ( -0.488 1.985 -0.510) 2.107 1.505 ( -0.978 -2.849 -0.041) 3.013 1.505 ( -0.978 2.849 -0.041) 3.013 1.562 ( 0.891 -1.483 0.122) 1.735 1.562 ( 0.891 1.483 0.122) 1.735 1.593 ( -0.761 -0.754 -1.142) 1.566 1.593 ( -0.761 0.754 -1.142) 1.566 1.609 ( -2.358 -1.076 0.741) 2.696 1.609 ( -2.358 1.076 0.741) 2.696 1.713 ( 0.095 -1.934 -1.045) 2.200 1.713 ( 0.095 1.934 -1.045) 2.200 1.761 ( 0.278 -0.534 0.470) 0.764 1.761 ( 0.278 0.534 0.470) 0.764 1.835 ( 1.388 -3.102 -0.173) 3.403 1.835 ( 1.388 3.102 -0.173) 3.403 1.876 ( 0.794 -0.318 1.941) 2.121 1.876 ( 0.794 0.318 1.941) 2.121 1.921 ( -0.952 -2.614 -2.449) 3.706 1.921 ( -0.952 2.614 -2.449) 3.706 1.986 ( -0.017 -1.478 2.273) 2.711 1.986 ( -0.017 1.478 2.273) 2.711 2.072 ( -0.566 -1.300 1.236) 1.881 2.072 ( -0.566 1.300 1.236) 1.881 2.216 ( 0.479 -1.423 -0.966) 1.786 2.216 ( 0.479 1.423 -0.966) 1.786 2.240 ( -0.144 -0.452 -0.233) 0.529 2.240 ( -0.144 0.452 -0.233) 0.529 2.283 ( -0.474 -0.212 -0.212) 0.561 2.283 ( -0.474 0.212 -0.212) 0.561 2.435 ( 0.223 -0.959 0.372) 1.053 2.435 ( 0.223 0.959 0.372) 1.053 2.498 ( 0.748 -1.802 1.203) 2.293 2.498 ( 0.748 1.802 1.203) 2.293 2.573 ( 0.517 -1.353 -2.034) 2.497 2.573 ( 0.517 1.353 -2.034) 2.497 2.722 ( 2.165 -0.153 -0.103) 2.173 2.722 ( 2.165 0.153 -0.103) 2.173 2.784 ( 0.715 -0.610 -0.183) 0.958 2.784 ( 0.715 0.610 -0.183) 0.958 2.828 ( -0.638 -0.709 -0.868) 1.290 2.828 ( -0.638 0.709 -0.868) 1.290 2.841 ( -0.418 -0.370 -0.638) 0.848 2.841 ( -0.418 0.370 -0.638) 0.848 3.021 ( -0.093 -1.584 -1.099) 1.930 3.021 ( -0.093 1.584 -1.099) 1.930 3.141 ( -0.167 -2.452 -0.320) 2.478 3.141 ( -0.167 2.452 -0.320) 2.478 3.546 ( -1.039 -3.118 0.194) 3.293 3.546 ( -1.039 3.118 0.194) 3.293 3.617 ( 0.125 -4.591 -1.241) 4.758 3.617 ( 0.125 4.591 -1.241) 4.758 3.856 ( -0.428 -1.657 0.755) 1.870 3.856 ( -0.428 1.657 0.755) 1.870 3.882 ( 0.610 -3.715 0.767) 3.842 3.882 ( 0.610 3.715 0.767) 3.842 3.975 ( -0.258 -5.175 0.917) 5.262 3.975 ( -0.258 5.175 0.917) 5.262 4.057 ( 0.893 -1.134 -1.434) 2.035 4.057 ( 0.893 1.134 -1.434) 2.035 4.536 ( -0.699 -3.566 0.356) 3.651 4.536 ( -0.699 3.566 0.356) 3.651 4.648 ( 0.573 -4.913 -1.614) 5.203 4.648 ( 0.573 4.913 -1.614) 5.203 5.004 ( 0.622 -10.245 -1.058) 10.318 5.004 ( 0.622 10.245 -1.058) 10.318 5.362 ( 1.934 -8.831 -2.804) 9.465 5.362 ( 1.934 8.831 -2.804) 9.465 5.549 ( -1.292 -1.283 1.904) 2.635 5.549 ( -1.292 1.283 1.904) 2.635 5.627 ( -1.471 -2.184 4.161) 4.924 5.627 ( -1.471 2.184 4.161) 4.924 5.688 ( -1.810 -0.561 0.581) 1.982 5.688 ( -1.810 0.561 0.581) 1.982 5.840 ( 0.757 -1.466 -1.466) 2.208 5.840 ( 0.757 1.466 -1.466) 2.208 5.974 ( -0.969 -2.388 3.824) 4.611 5.974 ( -0.969 2.388 3.824) 4.611 6.322 ( 1.822 -1.734 -2.853) 3.803 6.322 ( 1.822 1.734 -2.853) 3.803 6.413 ( 0.017 -0.252 -0.518) 0.576 6.413 ( 0.017 0.252 -0.518) 0.576 6.502 ( 0.991 -0.413 -1.342) 1.719 6.502 ( 0.991 0.413 -1.342) 1.719 6.603 ( 1.768 -2.404 -1.361) 3.280 6.603 ( 1.768 2.404 -1.361) 3.280 6.741 ( -1.132 -2.346 0.679) 2.692 6.741 ( -1.132 2.346 0.679) 2.692 6.773 ( -0.523 -5.638 -0.287) 5.670 6.773 ( -0.523 5.638 -0.287) 5.670 6.868 ( -0.436 -0.996 -0.789) 1.343 6.868 ( -0.436 0.996 -0.789) 1.343 7.236 ( 0.918 -4.437 1.373) 4.734 7.236 ( 0.918 4.437 1.373) 4.734 7.383 ( 0.349 -0.334 -0.429) 0.646 7.383 ( 0.349 0.334 -0.429) 0.646 7.494 ( -2.291 -0.562 0.693) 2.459 7.494 ( -2.291 0.562 0.693) 2.459 7.730 ( 0.153 -1.289 0.251) 1.322 7.730 ( 0.153 1.289 0.251) 1.322 7.927 ( 0.089 -2.210 0.263) 2.228 7.927 ( 0.089 2.210 0.263) 2.228 8.147 ( -0.020 -1.510 0.733) 1.678 8.147 ( -0.020 1.510 0.733) 1.678 8.824 ( 0.240 -3.367 -0.420) 3.401 8.824 ( 0.240 3.367 -0.420) 3.401 8.908 ( -1.112 -3.394 1.114) 3.741 8.908 ( -1.112 3.394 1.114) 3.741 9.269 ( 0.969 -0.174 0.720) 1.220 9.269 ( 0.969 0.174 0.720) 1.220 9.411 ( 1.484 -1.447 -1.046) 2.322 9.411 ( 1.484 1.447 -1.046) 2.322 9.473 ( -0.263 -0.792 -0.119) 0.843 9.473 ( -0.263 0.792 -0.119) 0.843 9.617 ( -0.349 -1.857 -0.954) 2.117 9.617 ( -0.349 1.857 -0.954) 2.117 9.742 ( -1.799 -0.778 2.232) 2.970 9.742 ( -1.799 0.778 2.232) 2.970 9.935 ( 0.647 -0.603 -2.430) 2.586 9.935 ( 0.647 0.603 -2.430) 2.586 10.539 ( 0.189 -1.556 0.138) 1.573 10.539 ( 0.189 1.556 0.138) 1.573 10.556 ( 0.197 -1.125 -0.176) 1.156 10.556 ( 0.197 1.125 -0.176) 1.156 10.786 ( -0.663 -2.890 1.249) 3.217 10.786 ( -0.663 2.890 1.249) 3.217 10.878 ( 0.308 -2.940 -0.741) 3.048 10.878 ( 0.308 2.940 -0.741) 3.048 ======================= Grid point 41 (23/39) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -3.411 -3.474 -0.838) 4.940 0.494 ( -3.411 3.474 -0.838) 4.940 0.660 ( -2.572 -2.701 2.261) 4.361 0.660 ( -2.572 2.701 2.261) 4.361 0.697 ( 2.560 -2.220 -2.831) 4.416 0.697 ( 2.560 2.220 -2.831) 4.416 0.805 ( -0.252 -1.084 1.115) 1.575 0.805 ( -0.252 1.084 1.115) 1.575 0.826 ( -0.791 -1.105 0.215) 1.376 0.826 ( -0.791 1.105 0.215) 1.376 0.887 ( 0.069 -1.262 0.507) 1.362 0.887 ( 0.069 1.262 0.507) 1.362 0.931 ( 1.231 -0.399 -1.448) 1.942 0.931 ( 1.231 0.399 -1.448) 1.942 0.973 ( 1.299 -1.259 0.963) 2.049 0.973 ( 1.299 1.259 0.963) 2.049 0.993 ( -0.705 -0.359 0.106) 0.798 0.993 ( -0.705 0.359 0.106) 0.798 1.044 ( 0.833 -0.902 0.601) 1.367 1.044 ( 0.833 0.902 0.601) 1.367 1.090 ( -1.134 -0.568 -0.725) 1.461 1.090 ( -1.134 0.568 -0.725) 1.461 1.107 ( -0.008 -0.565 1.245) 1.367 1.107 ( -0.008 0.565 1.245) 1.367 1.147 ( -0.813 -0.455 0.312) 0.983 1.147 ( -0.813 0.455 0.312) 0.983 1.181 ( 0.732 -1.107 1.065) 1.702 1.181 ( 0.732 1.107 1.065) 1.702 1.199 ( -1.561 -1.114 1.006) 2.166 1.199 ( -1.561 1.114 1.006) 2.166 1.249 ( -1.083 -0.706 -0.203) 1.309 1.249 ( -1.083 0.706 -0.203) 1.309 1.295 ( 0.433 -0.328 0.381) 0.664 1.295 ( 0.433 0.328 0.381) 0.664 1.327 ( -0.342 -0.898 -0.071) 0.964 1.327 ( -0.342 0.898 -0.071) 0.964 1.361 ( -1.144 -1.102 1.220) 2.003 1.361 ( -1.144 1.102 1.220) 2.003 1.422 ( 0.957 -1.472 1.674) 2.426 1.422 ( 0.957 1.472 1.674) 2.426 1.448 ( -0.253 -1.697 -1.373) 2.198 1.448 ( -0.253 1.697 -1.373) 2.198 1.471 ( -0.958 -1.509 0.389) 1.829 1.471 ( -0.958 1.509 0.389) 1.829 1.545 ( -1.660 -0.673 -1.287) 2.206 1.545 ( -1.660 0.673 -1.287) 2.206 1.585 ( 1.886 -0.474 -1.413) 2.404 1.585 ( 1.886 0.474 -1.413) 2.404 1.599 ( 0.162 -0.756 0.197) 0.797 1.599 ( 0.162 0.756 0.197) 0.797 1.708 ( 0.448 -1.399 -0.790) 1.668 1.708 ( 0.448 1.399 -0.790) 1.668 1.762 ( -0.202 -3.611 0.504) 3.652 1.762 ( -0.202 3.611 0.504) 3.652 1.838 ( -1.633 -1.509 -0.112) 2.227 1.838 ( -1.633 1.509 -0.112) 2.227 1.871 ( -1.183 -1.192 -0.867) 1.890 1.871 ( -1.183 1.192 -0.867) 1.890 1.910 ( 1.330 -1.687 -0.356) 2.178 1.910 ( 1.330 1.687 -0.356) 2.178 2.011 ( -1.036 -1.921 3.098) 3.789 2.011 ( -1.036 1.921 3.098) 3.789 2.089 ( 0.799 -1.664 1.305) 2.260 2.089 ( 0.799 1.664 1.305) 2.260 2.224 ( 1.063 -1.642 -0.640) 2.058 2.224 ( 1.063 1.642 -0.640) 2.058 2.251 ( 1.650 -0.353 -0.749) 1.846 2.251 ( 1.650 0.353 -0.749) 1.846 2.292 ( 0.876 -0.482 1.705) 1.976 2.292 ( 0.876 0.482 1.705) 1.976 2.441 ( -0.148 -1.061 0.129) 1.079 2.441 ( -0.148 1.061 0.129) 1.079 2.517 ( -0.831 -1.804 1.271) 2.358 2.517 ( -0.831 1.804 1.271) 2.358 2.552 ( 0.612 -0.414 -2.528) 2.634 2.552 ( 0.612 0.414 -2.528) 2.634 2.747 ( -0.598 -1.246 0.180) 1.394 2.747 ( -0.598 1.246 0.180) 1.394 2.787 ( 0.454 -0.165 -0.293) 0.565 2.787 ( 0.454 0.165 -0.293) 0.565 2.812 ( -0.060 -0.766 -0.770) 1.088 2.812 ( -0.060 0.766 -0.770) 1.088 2.822 ( 0.105 -0.585 -1.417) 1.537 2.822 ( 0.105 0.585 -1.417) 1.537 3.013 ( 0.546 -1.704 -0.996) 2.048 3.013 ( 0.546 1.704 -0.996) 2.048 3.136 ( 0.080 -2.772 -0.451) 2.809 3.136 ( 0.080 2.772 -0.451) 2.809 3.521 ( -1.451 -0.391 -0.339) 1.541 3.521 ( -1.451 0.391 -0.339) 1.541 3.614 ( 1.111 -1.496 -1.205) 2.219 3.614 ( 1.111 1.496 -1.205) 2.219 3.848 ( -1.125 -1.377 0.778) 1.941 3.848 ( -1.125 1.377 0.778) 1.941 3.910 ( 1.122 -2.790 0.820) 3.117 3.910 ( 1.122 2.790 0.820) 3.117 3.982 ( -0.283 -6.023 1.018) 6.115 3.982 ( -0.283 6.023 1.018) 6.115 4.065 ( 1.357 -2.525 -0.947) 3.019 4.065 ( 1.357 2.525 -0.947) 3.019 4.534 ( 0.140 -2.926 0.171) 2.935 4.534 ( 0.140 2.926 0.171) 2.935 4.647 ( 1.242 -3.588 -1.594) 4.118 4.647 ( 1.242 3.588 -1.594) 4.118 5.004 ( 0.934 -9.432 -1.479) 9.593 5.004 ( 0.934 9.432 -1.479) 9.593 5.370 ( 1.547 -8.825 -1.768) 9.133 5.370 ( 1.547 8.825 -1.768) 9.133 5.558 ( -0.124 -1.628 2.136) 2.688 5.558 ( -0.124 1.628 2.136) 2.688 5.636 ( -1.652 -0.513 1.997) 2.642 5.636 ( -1.652 0.513 1.997) 2.642 5.670 ( -1.073 -1.383 1.976) 2.639 5.670 ( -1.073 1.383 1.976) 2.639 5.845 ( 0.946 -1.654 -0.975) 2.140 5.845 ( 0.946 1.654 -0.975) 2.140 5.983 ( -2.485 -1.817 3.656) 4.779 5.983 ( -2.485 1.817 3.656) 4.779 6.313 ( 0.718 -1.740 -2.787) 3.363 6.313 ( 0.718 1.740 -2.787) 3.363 6.412 ( 0.691 -1.566 -0.835) 1.904 6.412 ( 0.691 1.566 -0.835) 1.904 6.508 ( 1.027 -0.725 -0.927) 1.562 6.508 ( 1.027 0.725 -0.927) 1.562 6.614 ( 0.230 -2.537 -1.205) 2.818 6.614 ( 0.230 2.537 -1.205) 2.818 6.741 ( 0.484 -2.687 0.387) 2.758 6.741 ( 0.484 2.687 0.387) 2.758 6.778 ( 1.131 -6.260 -0.213) 6.365 6.778 ( 1.131 6.260 -0.213) 6.365 6.837 ( -0.760 -2.593 -1.558) 3.119 6.837 ( -0.760 2.593 -1.558) 3.119 7.231 ( -2.782 -0.794 1.215) 3.138 7.231 ( -2.782 0.794 1.215) 3.138 7.389 ( -0.024 -0.636 -0.065) 0.640 7.389 ( -0.024 0.636 -0.065) 0.640 7.474 ( 0.227 -1.592 0.389) 1.654 7.474 ( 0.227 1.592 0.389) 1.654 7.735 ( 0.036 -1.392 0.313) 1.427 7.735 ( 0.036 1.392 0.313) 1.427 7.931 ( -0.061 -2.109 0.379) 2.144 7.931 ( -0.061 2.109 0.379) 2.144 8.152 ( -0.463 -1.594 0.820) 1.851 8.152 ( -0.463 1.594 0.820) 1.851 8.825 ( 0.320 -3.421 -0.526) 3.476 8.825 ( 0.320 3.421 -0.526) 3.476 8.901 ( -0.780 -3.077 1.264) 3.417 8.901 ( -0.780 3.077 1.264) 3.417 9.280 ( -0.728 -0.786 0.684) 1.271 9.280 ( -0.728 0.786 0.684) 1.271 9.420 ( 0.038 -1.259 -1.829) 2.221 9.420 ( 0.038 1.259 -1.829) 2.221 9.472 ( 0.608 -0.232 1.454) 1.593 9.472 ( 0.608 0.232 1.454) 1.593 9.603 ( 0.501 -1.514 -1.630) 2.280 9.603 ( 0.501 1.514 -1.630) 2.280 9.731 ( -1.767 -0.611 1.943) 2.697 9.731 ( -1.767 0.611 1.943) 2.697 9.940 ( 2.499 -0.901 -2.307) 3.518 9.940 ( 2.499 0.901 -2.307) 3.518 10.538 ( -0.463 -1.581 0.112) 1.652 10.538 ( -0.463 1.581 0.112) 1.652 10.557 ( 0.056 -1.341 -0.169) 1.353 10.557 ( 0.056 1.341 -0.169) 1.353 10.796 ( 0.014 -2.835 1.497) 3.206 10.796 ( 0.014 2.835 1.497) 3.206 10.877 ( 0.482 -2.839 -0.830) 2.997 10.877 ( 0.482 2.839 -0.830) 2.997 ======================= Grid point 43 (24/39) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.009 -4.407 3.018) 5.342 0.471 ( 0.009 4.407 3.018) 5.342 0.613 ( -4.908 -3.523 4.017) 7.255 0.613 ( -4.908 3.523 4.017) 7.255 0.719 ( 3.216 -0.370 -2.861) 4.320 0.719 ( 3.216 0.370 -2.861) 4.320 0.812 ( 0.796 -0.863 -1.114) 1.619 0.812 ( 0.796 0.863 -1.114) 1.619 0.827 ( -0.369 -1.339 0.306) 1.423 0.827 ( -0.369 1.339 0.306) 1.423 0.902 ( -0.573 -1.606 1.332) 2.164 0.902 ( -0.573 1.606 1.332) 2.164 0.939 ( 1.149 -0.751 -2.150) 2.551 0.939 ( 1.149 0.751 -2.150) 2.551 0.967 ( -0.389 -1.327 0.367) 1.431 0.967 ( -0.389 1.327 0.367) 1.431 1.018 ( 2.079 -1.213 0.814) 2.541 1.018 ( 2.079 1.213 0.814) 2.541 1.046 ( -1.334 -1.322 -0.262) 1.896 1.046 ( -1.334 1.322 -0.262) 1.896 1.074 ( 0.470 -1.204 0.424) 1.360 1.074 ( 0.470 1.204 0.424) 1.360 1.107 ( -1.304 -1.289 0.945) 2.063 1.107 ( -1.304 1.289 0.945) 2.063 1.142 ( -0.518 -0.409 0.762) 1.008 1.142 ( -0.518 0.409 0.762) 1.008 1.171 ( -1.894 -2.138 0.900) 2.995 1.171 ( -1.894 2.138 0.900) 2.995 1.192 ( -0.385 -0.498 -0.885) 1.086 1.192 ( -0.385 0.498 -0.885) 1.086 1.236 ( -0.577 -0.729 1.419) 1.696 1.236 ( -0.577 0.729 1.419) 1.696 1.306 ( -0.238 -2.710 0.867) 2.855 1.306 ( -0.238 2.710 0.867) 2.855 1.332 ( 0.338 -1.198 0.690) 1.423 1.332 ( 0.338 1.198 0.690) 1.423 1.370 ( -0.246 -1.408 2.050) 2.499 1.370 ( -0.246 1.408 2.050) 2.499 1.402 ( -0.850 -0.168 -1.121) 1.417 1.402 ( -0.850 0.168 -1.121) 1.417 1.443 ( -0.998 -0.328 0.878) 1.369 1.443 ( -0.998 0.328 0.878) 1.369 1.474 ( 0.121 -0.855 0.215) 0.890 1.474 ( 0.121 0.855 0.215) 0.890 1.536 ( 1.349 -0.352 -0.898) 1.658 1.536 ( 1.349 0.352 -0.898) 1.658 1.608 ( 1.640 -1.361 -0.334) 2.157 1.608 ( 1.640 1.361 -0.334) 2.157 1.626 ( 3.825 -1.553 -1.382) 4.353 1.626 ( 3.825 1.553 -1.382) 4.353 1.713 ( 0.335 -1.764 0.093) 1.798 1.713 ( 0.335 1.764 0.093) 1.798 1.764 ( -0.532 -3.359 0.359) 3.420 1.764 ( -0.532 3.359 0.359) 3.420 1.785 ( -2.406 -0.361 -0.992) 2.628 1.785 ( -2.406 0.361 -0.992) 2.628 1.856 ( -0.806 -2.679 0.488) 2.840 1.856 ( -0.806 2.679 0.488) 2.840 1.921 ( -0.055 -1.697 0.324) 1.728 1.921 ( -0.055 1.697 0.324) 1.728 2.006 ( -2.341 -1.514 2.444) 3.707 2.006 ( -2.341 1.514 2.444) 3.707 2.113 ( 0.181 -2.372 0.728) 2.487 2.113 ( 0.181 2.372 0.728) 2.487 2.238 ( 1.162 -0.825 -0.698) 1.587 2.238 ( 1.162 0.825 -0.698) 1.587 2.282 ( 2.580 -0.899 -1.251) 3.005 2.282 ( 2.580 0.899 -1.251) 3.005 2.330 ( 0.688 -0.326 1.179) 1.404 2.330 ( 0.688 0.326 1.179) 1.404 2.432 ( -0.276 -2.011 -0.068) 2.031 2.432 ( -0.276 2.011 -0.068) 2.031 2.483 ( -1.663 -0.313 -1.881) 2.530 2.483 ( -1.663 0.313 -1.881) 2.530 2.549 ( -0.203 -2.604 -0.343) 2.634 2.549 ( -0.203 2.604 -0.343) 2.634 2.723 ( -1.214 -2.217 0.034) 2.528 2.723 ( -1.214 2.217 0.034) 2.528 2.786 ( -0.079 -0.739 -1.627) 1.789 2.786 ( -0.079 0.739 -1.627) 1.789 2.807 ( 0.688 -0.988 -0.104) 1.208 2.807 ( 0.688 0.988 -0.104) 1.208 2.828 ( 0.640 -0.497 0.240) 0.846 2.828 ( 0.640 0.497 0.240) 0.846 3.020 ( 0.898 -2.095 -0.383) 2.311 3.020 ( 0.898 2.095 -0.383) 2.311 3.137 ( 0.566 -2.474 -0.416) 2.572 3.137 ( 0.566 2.474 -0.416) 2.572 3.496 ( -1.159 -1.251 0.884) 1.921 3.496 ( -1.159 1.251 0.884) 1.921 3.630 ( 1.587 -0.312 -0.824) 1.815 3.630 ( 1.587 0.312 -0.824) 1.815 3.836 ( -1.139 -0.662 0.956) 1.628 3.836 ( -1.139 0.662 0.956) 1.628 3.928 ( 0.363 -1.721 -0.352) 1.794 3.928 ( 0.363 1.721 -0.352) 1.794 3.981 ( -0.340 -6.213 -0.045) 6.223 3.981 ( -0.340 6.213 -0.045) 6.223 4.081 ( 1.147 -3.725 -0.962) 4.014 4.081 ( 1.147 3.725 -0.962) 4.014 4.542 ( 0.436 -2.617 0.221) 2.662 4.542 ( 0.436 2.617 0.221) 2.662 4.657 ( 1.500 -1.311 -1.499) 2.493 4.657 ( 1.500 1.311 -1.499) 2.493 5.009 ( 1.682 -8.160 -2.301) 8.643 5.009 ( 1.682 8.160 -2.301) 8.643 5.376 ( 1.053 -9.250 -2.048) 9.532 5.376 ( 1.053 9.250 -2.048) 9.532 5.582 ( -0.193 -1.674 2.037) 2.644 5.582 ( -0.193 1.674 2.037) 2.644 5.622 ( -0.866 -1.256 1.000) 1.825 5.622 ( -0.866 1.256 1.000) 1.825 5.679 ( -1.247 -0.422 3.097) 3.365 5.679 ( -1.247 0.422 3.097) 3.365 5.850 ( 0.869 -1.195 -0.958) 1.761 5.850 ( 0.869 1.195 -0.958) 1.761 5.963 ( -3.407 -2.153 3.340) 5.234 5.963 ( -3.407 2.153 3.340) 5.234 6.296 ( 0.450 -1.546 -2.365) 2.861 6.296 ( 0.450 1.546 -2.365) 2.861 6.420 ( 1.363 -1.809 -1.461) 2.696 6.420 ( 1.363 1.809 -1.461) 2.696 6.504 ( 0.218 -1.270 -3.004) 3.269 6.504 ( 0.218 1.270 -3.004) 3.269 6.611 ( 0.745 -1.514 1.615) 2.335 6.611 ( 0.745 1.514 1.615) 2.335 6.746 ( -0.397 -2.549 -0.321) 2.599 6.746 ( -0.397 2.549 -0.321) 2.599 6.780 ( 0.530 -4.920 -1.628) 5.210 6.780 ( 0.530 4.920 -1.628) 5.210 6.849 ( 1.742 -4.159 0.763) 4.573 6.849 ( 1.742 4.159 0.763) 4.573 7.185 ( -2.917 -2.651 1.253) 4.136 7.185 ( -2.917 2.651 1.253) 4.136 7.365 ( -1.746 -0.606 0.016) 1.848 7.365 ( -1.746 0.606 0.016) 1.848 7.515 ( 2.021 -3.320 1.710) 4.247 7.515 ( 2.021 3.320 1.710) 4.247 7.734 ( -0.301 -1.505 -0.280) 1.560 7.734 ( -0.301 1.505 -0.280) 1.560 7.931 ( -0.306 -2.428 0.258) 2.461 7.931 ( -0.306 2.428 0.258) 2.461 8.148 ( -0.708 -1.857 0.607) 2.078 8.148 ( -0.708 1.857 0.607) 2.078 8.823 ( 0.339 -2.675 -0.872) 2.833 8.823 ( 0.339 2.675 -0.872) 2.833 8.909 ( -0.442 -3.236 2.052) 3.857 8.909 ( -0.442 3.236 2.052) 3.857 9.264 ( -1.372 -2.626 0.387) 2.988 9.264 ( -1.372 2.626 0.387) 2.988 9.382 ( -1.038 -1.177 -1.754) 2.353 9.382 ( -1.038 1.177 -1.754) 2.353 9.511 ( 0.964 -2.337 0.497) 2.576 9.511 ( 0.964 2.337 0.497) 2.576 9.604 ( 1.283 -2.343 -0.923) 2.826 9.604 ( 1.283 2.343 -0.923) 2.826 9.724 ( -1.469 -0.577 2.774) 3.191 9.724 ( -1.469 0.577 2.774) 3.191 9.970 ( 3.342 -0.930 -2.779) 4.445 9.970 ( 3.342 0.930 -2.779) 4.445 10.528 ( -0.670 -0.858 0.279) 1.124 10.528 ( -0.670 0.858 0.279) 1.124 10.555 ( -0.033 -1.237 -0.235) 1.259 10.555 ( -0.033 1.237 -0.235) 1.259 10.811 ( -0.038 -2.498 0.944) 2.670 10.811 ( -0.038 2.498 0.944) 2.670 10.878 ( 0.620 -2.433 -0.799) 2.635 10.878 ( 0.620 2.433 -0.799) 2.635 ======================= Grid point 50 (25/39) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -3.693 0.000 8.013) 8.824 0.450 ( 2.601 0.000 8.206) 8.608 0.565 ( 2.557 0.000 -4.388) 5.079 0.634 ( -0.976 0.000 -6.566) 6.638 0.700 ( 1.351 0.000 0.940) 1.646 0.721 ( -0.248 0.000 -0.926) 0.958 0.791 ( 2.154 0.000 -0.717) 2.270 0.806 ( -2.269 0.000 -2.338) 3.258 0.870 ( -0.101 0.000 1.767) 1.770 0.900 ( -0.018 0.000 -0.985) 0.985 0.908 ( 1.843 0.000 1.470) 2.357 0.929 ( -2.525 0.000 -0.179) 2.532 0.960 ( -0.901 0.000 4.673) 4.759 0.971 ( 0.196 0.000 0.024) 0.197 0.993 ( -0.161 0.000 1.210) 1.220 1.008 ( -0.910 0.000 0.801) 1.212 1.015 ( 2.409 0.000 0.712) 2.512 1.027 ( -1.857 0.000 -0.013) 1.857 1.048 ( -0.506 0.000 1.210) 1.311 1.071 ( 0.875 0.000 -0.480) 0.998 1.091 ( -0.435 0.000 0.306) 0.532 1.094 ( -0.473 0.000 0.995) 1.102 1.102 ( -0.492 0.000 1.015) 1.128 1.109 ( 0.837 0.000 3.942) 4.030 1.120 ( 0.552 0.000 -1.156) 1.280 1.144 ( -0.494 0.000 -0.966) 1.085 1.157 ( 1.256 0.000 1.728) 2.136 1.199 ( 0.491 0.000 2.540) 2.587 1.223 ( 2.071 0.000 4.183) 4.668 1.231 ( -2.876 0.000 -2.509) 3.817 1.235 ( -0.258 0.000 2.054) 2.070 1.258 ( 2.144 0.000 -0.312) 2.166 1.279 ( -0.332 0.000 1.950) 1.978 1.290 ( -0.109 0.000 1.608) 1.611 1.318 ( -0.486 0.000 -0.538) 0.725 1.334 ( -0.451 0.000 -2.602) 2.641 1.338 ( -0.459 0.000 -3.138) 3.171 1.351 ( -0.339 0.000 -1.903) 1.933 1.373 ( -1.017 0.000 0.004) 1.017 1.383 ( -1.538 0.000 -1.534) 2.172 1.435 ( -0.959 0.000 1.020) 1.400 1.459 ( 0.369 0.000 0.251) 0.446 1.485 ( 1.168 0.000 0.381) 1.229 1.536 ( 1.416 0.000 -0.919) 1.688 1.564 ( -0.684 0.000 0.472) 0.831 1.574 ( 0.745 0.000 -2.605) 2.710 1.606 ( 3.527 0.000 1.251) 3.742 1.616 ( -2.036 0.000 -0.360) 2.068 1.654 ( -1.299 0.000 -1.314) 1.847 1.654 ( 0.120 0.000 -1.722) 1.727 1.701 ( 0.564 0.000 0.680) 0.884 1.708 ( -1.003 0.000 0.196) 1.022 1.734 ( 0.108 0.000 3.004) 3.006 1.736 ( -1.081 0.000 0.264) 1.113 1.746 ( 0.515 0.000 -0.245) 0.570 1.777 ( -0.930 0.000 -1.402) 1.683 1.852 ( -0.263 0.000 1.264) 1.291 1.863 ( 1.304 0.000 0.157) 1.314 1.989 ( -1.774 0.000 1.866) 2.574 2.009 ( 1.925 0.000 0.353) 1.957 2.023 ( -1.663 0.000 1.295) 2.108 2.028 ( -0.701 0.000 1.127) 1.327 2.109 ( -5.162 0.000 4.587) 6.905 2.123 ( -0.403 0.000 1.983) 2.023 2.181 ( 0.632 0.000 -2.957) 3.024 2.214 ( 4.309 0.000 -5.378) 6.891 2.276 ( 0.695 0.000 -1.369) 1.535 2.289 ( -0.364 0.000 -0.040) 0.366 2.318 ( 0.454 0.000 -0.712) 0.844 2.327 ( 0.225 0.000 -3.326) 3.334 2.404 ( -0.708 0.000 1.269) 1.453 2.414 ( 0.868 0.000 0.234) 0.899 2.458 ( -0.734 0.000 0.661) 0.987 2.487 ( -0.425 0.000 -1.793) 1.843 2.542 ( 0.455 0.000 1.020) 1.116 2.546 ( -0.740 0.000 0.613) 0.961 2.676 ( 1.257 0.000 -1.063) 1.647 2.681 ( -0.576 0.000 -1.631) 1.729 2.728 ( -0.341 0.000 -0.473) 0.583 2.729 ( 0.617 0.000 -0.527) 0.811 2.826 ( 0.072 0.000 0.377) 0.384 2.836 ( 0.667 0.000 -0.497) 0.832 2.858 ( 0.169 0.000 1.061) 1.074 2.868 ( 0.218 0.000 0.048) 0.223 2.976 ( -0.254 0.000 1.514) 1.535 3.013 ( 0.979 0.000 -1.959) 2.190 3.150 ( -1.290 0.000 0.719) 1.477 3.170 ( 1.030 0.000 -1.511) 1.829 3.474 ( -0.572 0.000 0.312) 0.652 3.504 ( 0.612 0.000 -2.518) 2.591 3.664 ( 0.612 0.000 4.225) 4.269 3.708 ( -0.880 0.000 -0.593) 1.061 3.807 ( -1.456 0.000 0.192) 1.469 3.821 ( 2.702 0.000 0.094) 2.703 3.864 ( -0.993 0.000 2.247) 2.457 3.914 ( 1.088 0.000 -2.722) 2.932 3.961 ( 0.130 0.000 1.618) 1.623 3.978 ( 0.340 0.000 -0.241) 0.417 4.170 ( 0.500 0.000 -0.609) 0.788 4.193 ( -0.684 0.000 -2.644) 2.731 4.419 ( -1.177 0.000 1.664) 2.039 4.450 ( 1.153 0.000 -1.295) 1.734 4.648 ( -2.056 0.000 1.494) 2.541 4.674 ( 2.980 0.000 -1.112) 3.180 4.722 ( -2.375 0.000 3.969) 4.626 4.816 ( 4.452 0.000 -5.861) 7.360 5.482 ( -0.088 0.000 0.162) 0.184 5.494 ( 0.377 0.000 -0.774) 0.861 5.609 ( -1.835 0.000 1.967) 2.691 5.664 ( 0.557 0.000 -3.174) 3.222 5.682 ( -2.169 0.000 1.310) 2.534 5.706 ( -0.380 0.000 1.927) 1.964 5.740 ( -0.879 0.000 3.938) 4.035 5.797 ( -3.297 0.000 2.675) 4.246 5.825 ( 2.737 0.000 -2.157) 3.485 5.872 ( 2.981 0.000 -3.991) 4.981 5.963 ( -5.022 0.000 5.268) 7.278 6.070 ( 2.958 0.000 -4.189) 5.129 6.186 ( -0.043 0.000 1.785) 1.785 6.235 ( 1.236 0.000 -2.106) 2.442 6.404 ( 2.166 0.000 0.095) 2.168 6.416 ( -0.579 0.000 -0.842) 1.022 6.476 ( 0.642 0.000 -0.256) 0.691 6.491 ( -0.688 0.000 -1.167) 1.355 6.527 ( -0.742 0.000 -0.350) 0.820 6.539 ( 0.166 0.000 -1.255) 1.266 6.622 ( -3.558 0.000 -0.732) 3.633 6.633 ( 3.740 0.000 -1.622) 4.077 6.798 ( 2.429 0.000 3.846) 4.549 6.840 ( -0.801 0.000 0.005) 0.801 6.934 ( 0.290 0.000 2.407) 2.425 6.982 ( 0.724 0.000 -2.121) 2.241 7.213 ( -5.363 0.000 -0.091) 5.363 7.214 ( 3.413 0.000 0.628) 3.470 7.364 ( -0.239 0.000 0.602) 0.647 7.381 ( -0.649 0.000 -0.916) 1.122 7.556 ( 0.447 0.000 4.032) 4.057 7.617 ( -0.201 0.000 -2.095) 2.105 7.700 ( -0.460 0.000 1.128) 1.218 7.709 ( 0.398 0.000 -0.031) 0.399 7.875 ( -1.018 0.000 1.303) 1.653 7.913 ( 1.028 0.000 -2.478) 2.683 8.141 ( -0.919 0.000 1.961) 2.166 8.173 ( 0.194 0.000 -1.252) 1.267 8.715 ( -0.641 0.000 1.039) 1.221 8.736 ( 0.693 0.000 -1.084) 1.287 9.035 ( -1.188 0.000 3.001) 3.227 9.097 ( 1.809 0.000 -3.018) 3.518 9.191 ( -2.686 0.000 2.151) 3.441 9.242 ( -0.171 0.000 -2.745) 2.750 9.380 ( 0.599 0.000 1.147) 1.294 9.392 ( -0.362 0.000 0.975) 1.040 9.400 ( 0.985 0.000 -0.480) 1.096 9.422 ( -0.305 0.000 -2.225) 2.246 9.692 ( -1.095 0.000 1.090) 1.545 9.711 ( 1.359 0.000 -0.869) 1.613 9.799 ( -0.745 0.000 4.143) 4.210 9.840 ( 1.212 0.000 -0.442) 1.290 9.848 ( -0.126 0.000 -0.398) 0.417 9.890 ( 1.171 0.000 -4.059) 4.224 10.542 ( 1.010 0.000 -0.029) 1.011 10.544 ( -1.456 0.000 -0.280) 1.483 10.565 ( -0.465 0.000 1.277) 1.359 10.584 ( 0.348 0.000 -0.516) 0.622 10.740 ( 0.106 0.000 0.219) 0.244 10.747 ( -0.208 0.000 -0.434) 0.481 10.887 ( -1.023 0.000 1.135) 1.528 10.913 ( 1.105 0.000 -1.360) 1.752 ======================= Grid point 51 (26/39) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 3.331 0.000 2.863) 4.392 0.565 ( 4.984 0.000 -6.006) 7.805 0.580 ( 2.862 0.000 -5.366) 6.081 0.615 ( 3.244 0.000 6.023) 6.841 0.687 ( -3.049 0.000 -3.020) 4.292 0.734 ( 1.346 0.000 0.867) 1.601 0.769 ( 0.666 0.000 0.277) 0.721 0.827 ( 1.127 0.000 0.022) 1.127 0.858 ( -2.030 0.000 0.004) 2.030 0.882 ( -0.677 0.000 -1.794) 1.918 0.902 ( 0.415 0.000 0.884) 0.977 0.916 ( -3.444 0.000 1.465) 3.742 0.967 ( -0.793 0.000 0.661) 1.033 0.970 ( -0.746 0.000 0.463) 0.878 0.987 ( 0.507 0.000 -0.504) 0.715 0.992 ( -0.478 0.000 -1.482) 1.557 1.030 ( 0.524 0.000 0.385) 0.650 1.034 ( -1.416 0.000 1.464) 2.037 1.069 ( 1.230 0.000 0.868) 1.505 1.090 ( -0.762 0.000 1.354) 1.554 1.091 ( 0.847 0.000 -0.752) 1.132 1.098 ( 0.494 0.000 0.787) 0.929 1.103 ( -1.434 0.000 -0.557) 1.539 1.108 ( 0.498 0.000 1.032) 1.146 1.123 ( -0.075 0.000 -0.983) 0.986 1.148 ( 0.638 0.000 -0.166) 0.660 1.150 ( -0.248 0.000 -2.599) 2.611 1.197 ( -1.823 0.000 -2.274) 2.915 1.204 ( -1.971 0.000 0.656) 2.077 1.223 ( -1.305 0.000 0.771) 1.516 1.248 ( 0.298 0.000 -1.725) 1.750 1.266 ( 1.473 0.000 -0.194) 1.486 1.292 ( -1.157 0.000 1.988) 2.300 1.301 ( -0.485 0.000 2.988) 3.028 1.317 ( 1.182 0.000 -1.444) 1.866 1.323 ( 1.175 0.000 1.885) 2.221 1.327 ( -0.082 0.000 -0.852) 0.856 1.344 ( 0.139 0.000 -0.078) 0.159 1.383 ( -0.121 0.000 1.499) 1.503 1.390 ( 1.165 0.000 1.762) 2.112 1.442 ( -0.028 0.000 0.975) 0.975 1.459 ( -1.845 0.000 0.562) 1.928 1.515 ( 0.083 0.000 2.057) 2.059 1.522 ( 4.105 0.000 -6.091) 7.345 1.549 ( -0.498 0.000 -1.178) 1.279 1.557 ( -0.035 0.000 0.527) 0.528 1.594 ( 0.607 0.000 0.514) 0.795 1.618 ( -1.006 0.000 -0.540) 1.141 1.626 ( -3.226 0.000 -1.053) 3.393 1.656 ( -1.590 0.000 -0.518) 1.673 1.691 ( -0.268 0.000 0.389) 0.472 1.694 ( 1.670 0.000 2.546) 3.045 1.729 ( -2.434 0.000 1.984) 3.140 1.732 ( -0.740 0.000 1.239) 1.443 1.754 ( 0.042 0.000 -2.151) 2.151 1.785 ( 0.186 0.000 1.574) 1.585 1.844 ( -1.323 0.000 -1.148) 1.752 1.880 ( 0.659 0.000 -0.321) 0.733 1.950 ( -2.548 0.000 1.409) 2.912 2.008 ( -1.460 0.000 1.159) 1.864 2.040 ( 1.262 0.000 -1.002) 1.612 2.044 ( -1.551 0.000 3.876) 4.174 2.077 ( -2.093 0.000 2.515) 3.272 2.132 ( -0.829 0.000 1.874) 2.049 2.160 ( 0.700 0.000 -3.087) 3.165 2.230 ( 1.357 0.000 -1.794) 2.249 2.261 ( -0.424 0.000 -3.015) 3.045 2.283 ( 0.408 0.000 0.375) 0.554 2.307 ( -0.458 0.000 0.038) 0.460 2.317 ( 1.020 0.000 0.624) 1.196 2.418 ( 0.664 0.000 0.296) 0.727 2.431 ( 0.313 0.000 0.039) 0.315 2.449 ( -1.400 0.000 -0.038) 1.401 2.473 ( 1.373 0.000 1.468) 2.010 2.565 ( 1.652 0.000 0.210) 1.665 2.573 ( 1.167 0.000 0.149) 1.176 2.669 ( 0.967 0.000 -0.965) 1.366 2.696 ( 1.184 0.000 -0.318) 1.226 2.732 ( 1.627 0.000 -0.408) 1.677 2.742 ( 0.987 0.000 0.179) 1.003 2.822 ( -0.834 0.000 -0.002) 0.834 2.839 ( 0.600 0.000 -1.322) 1.452 2.858 ( -0.717 0.000 -0.821) 1.090 2.861 ( -0.198 0.000 -0.400) 0.446 2.977 ( -1.118 0.000 1.235) 1.666 2.999 ( 0.201 0.000 -2.366) 2.375 3.137 ( -1.266 0.000 1.175) 1.728 3.185 ( 1.711 0.000 -0.598) 1.813 3.477 ( -0.061 0.000 1.496) 1.497 3.489 ( -0.017 0.000 -1.153) 1.153 3.682 ( -0.506 0.000 -1.865) 1.932 3.710 ( 0.317 0.000 2.086) 2.110 3.770 ( -2.444 0.000 -0.603) 2.518 3.836 ( 0.358 0.000 -1.933) 1.966 3.867 ( -1.408 0.000 2.473) 2.846 3.907 ( 1.267 0.000 -2.520) 2.821 3.973 ( -0.230 0.000 0.289) 0.369 3.977 ( 0.473 0.000 -1.251) 1.338 4.160 ( -0.389 0.000 -0.304) 0.494 4.182 ( 0.229 0.000 1.240) 1.261 4.406 ( -1.897 0.000 1.557) 2.454 4.442 ( -0.213 0.000 -1.335) 1.352 4.630 ( -1.069 0.000 0.843) 1.362 4.709 ( 2.509 0.000 -2.199) 3.336 4.715 ( -2.178 0.000 2.817) 3.561 4.830 ( 3.971 0.000 -6.700) 7.789 5.484 ( -0.040 0.000 0.534) 0.535 5.492 ( 0.410 0.000 -0.834) 0.929 5.615 ( -1.079 0.000 3.918) 4.064 5.656 ( 1.304 0.000 -1.548) 2.024 5.666 ( -1.132 0.000 1.453) 1.842 5.717 ( -3.333 0.000 5.593) 6.511 5.750 ( 1.080 0.000 -1.200) 1.614 5.768 ( -3.404 0.000 3.623) 4.971 5.812 ( -0.671 0.000 -2.761) 2.842 5.876 ( 2.061 0.000 -4.177) 4.658 5.970 ( -0.780 0.000 5.717) 5.770 6.088 ( 1.357 0.000 -1.054) 1.718 6.181 ( -0.248 0.000 -1.673) 1.691 6.229 ( 1.004 0.000 -2.551) 2.742 6.411 ( 1.821 0.000 -1.652) 2.459 6.441 ( 1.467 0.000 -0.628) 1.596 6.462 ( -1.418 0.000 -0.313) 1.452 6.490 ( -0.077 0.000 0.461) 0.468 6.539 ( 1.353 0.000 0.806) 1.575 6.552 ( 2.422 0.000 0.962) 2.607 6.561 ( -2.183 0.000 0.184) 2.191 6.687 ( 3.211 0.000 -0.681) 3.283 6.786 ( -2.802 0.000 -3.907) 4.808 6.863 ( 1.956 0.000 0.889) 2.149 6.934 ( -2.453 0.000 1.228) 2.743 6.941 ( -1.537 0.000 -3.099) 3.459 7.155 ( -1.906 0.000 2.045) 2.796 7.296 ( 3.950 0.000 0.668) 4.007 7.375 ( 0.254 0.000 0.240) 0.350 7.388 ( 1.133 0.000 1.283) 1.711 7.536 ( -4.293 0.000 -2.499) 4.967 7.562 ( -2.620 0.000 2.018) 3.307 7.713 ( 0.086 0.000 1.151) 1.154 7.739 ( 2.321 0.000 -0.991) 2.524 7.878 ( -0.626 0.000 1.853) 1.956 7.908 ( 1.089 0.000 -2.077) 2.345 8.151 ( -0.619 0.000 2.250) 2.334 8.169 ( 0.728 0.000 -0.925) 1.177 8.711 ( -0.922 0.000 1.005) 1.364 8.736 ( 0.615 0.000 -1.084) 1.247 9.033 ( -1.987 0.000 2.265) 3.013 9.063 ( -1.028 0.000 -1.767) 2.044 9.235 ( 2.546 0.000 3.031) 3.959 9.242 ( 1.546 0.000 -0.006) 1.546 9.387 ( -0.460 0.000 0.474) 0.660 9.397 ( 0.242 0.000 -2.467) 2.479 9.423 ( 2.066 0.000 -0.939) 2.269 9.434 ( 2.846 0.000 1.536) 3.235 9.673 ( -1.867 0.000 0.686) 1.989 9.713 ( -0.148 0.000 -1.614) 1.621 9.803 ( -2.608 0.000 0.746) 2.713 9.822 ( -2.293 0.000 2.939) 3.728 9.829 ( -0.380 0.000 -2.868) 2.893 9.870 ( 0.826 0.000 -2.711) 2.834 10.523 ( -0.703 0.000 0.226) 0.738 10.550 ( -0.639 0.000 0.652) 0.913 10.583 ( 1.222 0.000 0.330) 1.266 10.584 ( 0.442 0.000 -0.526) 0.687 10.734 ( -0.698 0.000 -0.144) 0.713 10.742 ( -0.257 0.000 0.332) 0.420 10.881 ( -0.918 0.000 1.317) 1.606 10.917 ( 0.862 0.000 -1.340) 1.593 ======================= Grid point 52 (27/39) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -3.111 0.000 -2.868) 4.231 0.548 ( 1.646 0.000 -7.006) 7.197 0.596 ( 3.932 0.000 -1.068) 4.074 0.652 ( 3.853 0.000 1.975) 4.330 0.686 ( -3.039 0.000 1.610) 3.439 0.776 ( 1.502 0.000 0.085) 1.505 0.797 ( 0.360 0.000 1.252) 1.302 0.812 ( -0.823 0.000 0.671) 1.061 0.846 ( -2.333 0.000 1.107) 2.583 0.868 ( 0.004 0.000 -0.318) 0.318 0.869 ( 3.748 0.000 -0.761) 3.824 0.899 ( -1.224 0.000 -0.460) 1.307 0.945 ( -1.951 0.000 -1.942) 2.753 0.957 ( -0.505 0.000 -2.742) 2.789 0.971 ( 0.490 0.000 1.406) 1.489 0.986 ( -0.095 0.000 0.279) 0.295 0.999 ( -2.999 0.000 -0.795) 3.103 1.025 ( -1.722 0.000 1.516) 2.294 1.051 ( -2.567 0.000 -1.801) 3.136 1.082 ( 0.688 0.000 -1.769) 1.898 1.101 ( 0.160 0.000 -1.957) 1.963 1.109 ( 0.621 0.000 -0.340) 0.708 1.116 ( 0.572 0.000 1.401) 1.513 1.123 ( 1.618 0.000 0.280) 1.642 1.132 ( 0.174 0.000 1.814) 1.823 1.135 ( -2.124 0.000 1.367) 2.526 1.142 ( 1.020 0.000 -1.162) 1.546 1.158 ( -0.507 0.000 0.233) 0.558 1.185 ( 1.099 0.000 -1.030) 1.506 1.191 ( -1.515 0.000 -0.376) 1.561 1.245 ( 1.790 0.000 -3.090) 3.571 1.272 ( -1.789 0.000 -1.779) 2.523 1.299 ( -1.176 0.000 2.464) 2.730 1.320 ( -1.227 0.000 1.984) 2.332 1.335 ( -0.915 0.000 1.501) 1.757 1.338 ( 0.375 0.000 3.128) 3.151 1.342 ( 0.627 0.000 1.235) 1.385 1.364 ( 0.475 0.000 1.208) 1.299 1.366 ( 1.581 0.000 -2.119) 2.644 1.418 ( -0.746 0.000 1.979) 2.115 1.441 ( -1.543 0.000 1.452) 2.119 1.451 ( 1.399 0.000 0.283) 1.427 1.506 ( -1.034 0.000 -0.066) 1.036 1.544 ( 2.239 0.000 -1.043) 2.470 1.569 ( -0.265 0.000 0.132) 0.296 1.574 ( 0.342 0.000 0.424) 0.545 1.578 ( -0.882 0.000 -0.759) 1.164 1.602 ( -0.439 0.000 -0.684) 0.812 1.605 ( 0.128 0.000 0.404) 0.423 1.618 ( 4.716 0.000 -3.388) 5.807 1.662 ( -2.395 0.000 -2.581) 3.521 1.674 ( -5.738 0.000 1.808) 6.016 1.733 ( -0.038 0.000 0.142) 0.147 1.742 ( -0.732 0.000 1.132) 1.348 1.756 ( 1.535 0.000 0.758) 1.712 1.790 ( -0.924 0.000 2.375) 2.549 1.824 ( 0.609 0.000 0.828) 1.028 1.885 ( -0.026 0.000 -0.120) 0.122 1.940 ( -0.455 0.000 0.756) 0.883 1.977 ( -1.862 0.000 -1.090) 2.158 2.044 ( 0.279 0.000 -0.130) 0.308 2.055 ( -0.397 0.000 1.723) 1.768 2.060 ( -2.253 0.000 3.635) 4.277 2.130 ( -1.526 0.000 1.660) 2.255 2.164 ( 2.413 0.000 -2.010) 3.141 2.210 ( -0.890 0.000 -2.632) 2.778 2.245 ( 1.142 0.000 -0.670) 1.324 2.277 ( 0.241 0.000 -1.541) 1.560 2.333 ( 0.479 0.000 3.098) 3.135 2.361 ( 1.334 0.000 1.605) 2.087 2.411 ( -0.393 0.000 0.540) 0.668 2.446 ( 0.728 0.000 0.717) 1.022 2.469 ( 1.196 0.000 1.158) 1.664 2.495 ( 0.303 0.000 -1.229) 1.266 2.577 ( -0.923 0.000 0.290) 0.968 2.589 ( 0.884 0.000 -0.377) 0.961 2.705 ( 3.602 0.000 -0.022) 3.602 2.711 ( 0.384 0.000 0.925) 1.002 2.766 ( 0.650 0.000 0.947) 1.149 2.770 ( 2.542 0.000 -1.217) 2.818 2.797 ( -1.275 0.000 -0.393) 1.334 2.824 ( -0.169 0.000 -1.559) 1.568 2.833 ( -0.687 0.000 -1.587) 1.729 2.842 ( -0.641 0.000 -2.005) 2.104 2.966 ( -1.378 0.000 1.104) 1.766 2.985 ( 1.072 0.000 -1.825) 2.117 3.133 ( -1.067 0.000 2.674) 2.880 3.207 ( 1.330 0.000 -1.447) 1.966 3.493 ( 0.818 0.000 1.528) 1.733 3.506 ( 0.119 0.000 3.371) 3.373 3.649 ( 0.088 0.000 -3.710) 3.711 3.673 ( -3.293 0.000 -3.781) 5.014 3.748 ( 1.165 0.000 -0.002) 1.165 3.801 ( -1.749 0.000 -1.863) 2.556 3.864 ( -1.847 0.000 2.690) 3.263 3.909 ( 1.787 0.000 -2.520) 3.089 3.965 ( -0.627 0.000 0.239) 0.672 3.975 ( 0.773 0.000 -1.177) 1.409 4.181 ( 1.290 0.000 1.751) 2.175 4.199 ( -0.054 0.000 1.396) 1.397 4.391 ( -1.225 0.000 1.558) 1.982 4.423 ( -0.305 0.000 -1.066) 1.109 4.631 ( -0.234 0.000 1.835) 1.850 4.706 ( -1.758 0.000 2.519) 3.072 4.719 ( 1.594 0.000 -3.186) 3.562 4.817 ( 3.011 0.000 -7.563) 8.140 5.493 ( 0.208 0.000 0.558) 0.596 5.496 ( 0.536 0.000 -0.197) 0.571 5.639 ( -1.551 0.000 4.564) 4.821 5.662 ( 0.046 0.000 1.091) 1.091 5.685 ( 1.720 0.000 0.090) 1.722 5.707 ( -2.995 0.000 4.451) 5.365 5.737 ( -3.445 0.000 2.584) 4.306 5.765 ( 1.230 0.000 -0.729) 1.430 5.780 ( 0.185 0.000 -1.589) 1.599 5.851 ( 0.390 0.000 -4.633) 4.649 6.028 ( -0.458 0.000 5.920) 5.938 6.088 ( -2.327 0.000 3.561) 4.254 6.170 ( 2.750 0.000 -4.580) 5.342 6.220 ( 2.165 0.000 -4.814) 5.279 6.416 ( -2.300 0.000 0.872) 2.460 6.442 ( 3.323 0.000 -2.228) 4.000 6.465 ( 0.648 0.000 -0.040) 0.650 6.478 ( -0.983 0.000 -0.033) 0.984 6.542 ( -0.015 0.000 0.735) 0.735 6.596 ( 2.918 0.000 1.498) 3.280 6.627 ( 1.596 0.000 1.008) 1.888 6.664 ( -3.071 0.000 -3.806) 4.891 6.741 ( 1.800 0.000 0.535) 1.878 6.865 ( -3.188 0.000 -1.667) 3.598 6.888 ( -0.161 0.000 -2.377) 2.383 6.895 ( -0.089 0.000 -0.719) 0.724 7.183 ( 2.229 0.000 2.615) 3.436 7.324 ( -5.837 0.000 -1.220) 5.963 7.357 ( 2.022 0.000 0.763) 2.161 7.411 ( 0.169 0.000 -0.189) 0.253 7.499 ( 2.344 0.000 0.010) 2.345 7.527 ( -2.725 0.000 1.441) 3.083 7.719 ( -0.871 0.000 1.549) 1.778 7.756 ( 1.075 0.000 -1.682) 1.997 7.881 ( -1.172 0.000 1.608) 1.989 7.909 ( 1.301 0.000 -1.892) 2.297 8.160 ( -1.040 0.000 2.100) 2.344 8.179 ( 1.037 0.000 -0.633) 1.215 8.706 ( -0.821 0.000 1.250) 1.496 8.736 ( 0.693 0.000 -1.279) 1.454 9.020 ( -1.311 0.000 1.277) 1.830 9.037 ( -0.319 0.000 -0.806) 0.867 9.283 ( 1.428 0.000 1.947) 2.415 9.320 ( 2.874 0.000 2.646) 3.907 9.375 ( 0.182 0.000 -2.733) 2.739 9.377 ( -1.056 0.000 0.223) 1.080 9.456 ( 2.402 0.000 0.009) 2.402 9.500 ( 1.115 0.000 1.849) 2.159 9.635 ( -2.584 0.000 -0.070) 2.585 9.663 ( -0.992 0.000 -4.027) 4.147 9.762 ( -2.315 0.000 1.357) 2.683 9.801 ( 0.964 0.000 -2.835) 2.995 9.809 ( -3.006 0.000 3.472) 4.592 9.861 ( 1.757 0.000 -2.943) 3.427 10.521 ( 0.062 0.000 0.380) 0.385 10.538 ( -0.974 0.000 0.242) 1.003 10.591 ( 0.566 0.000 -0.173) 0.592 10.599 ( 0.196 0.000 -0.288) 0.349 10.726 ( 0.001 0.000 0.298) 0.298 10.737 ( -0.463 0.000 0.129) 0.480 10.883 ( -0.564 0.000 1.499) 1.601 10.917 ( 0.680 0.000 -1.353) 1.514 ======================= Grid point 53 (28/39) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -6.339 0.000 5.440) 8.353 0.488 ( -6.445 0.000 1.210) 6.558 0.589 ( -1.402 0.000 -2.670) 3.016 0.700 ( 3.977 0.000 1.933) 4.422 0.738 ( -1.322 0.000 -4.899) 5.074 0.742 ( 3.589 0.000 0.062) 3.590 0.811 ( -0.394 0.000 2.167) 2.203 0.839 ( -3.076 0.000 -0.881) 3.199 0.848 ( 0.756 0.000 0.083) 0.760 0.867 ( 1.172 0.000 2.454) 2.719 0.868 ( -0.325 0.000 -1.616) 1.649 0.910 ( 0.910 0.000 1.529) 1.780 0.911 ( 1.939 0.000 -3.490) 3.993 0.936 ( -1.601 0.000 -0.550) 1.693 0.967 ( -0.661 0.000 1.781) 1.899 0.990 ( -1.420 0.000 -0.151) 1.428 1.000 ( 0.782 0.000 0.442) 0.899 1.004 ( 2.762 0.000 -0.769) 2.868 1.018 ( -0.590 0.000 4.311) 4.351 1.064 ( 0.816 0.000 -2.391) 2.526 1.077 ( -6.318 0.000 4.029) 7.494 1.097 ( -0.132 0.000 0.046) 0.140 1.108 ( 0.869 0.000 -1.575) 1.799 1.132 ( -1.285 0.000 0.472) 1.369 1.133 ( -0.240 0.000 -0.054) 0.246 1.144 ( -0.762 0.000 1.377) 1.574 1.150 ( 0.493 0.000 -0.220) 0.540 1.176 ( -0.672 0.000 -0.136) 0.686 1.181 ( 1.918 0.000 -1.020) 2.173 1.189 ( -3.705 0.000 0.985) 3.834 1.195 ( 1.271 0.000 -0.943) 1.583 1.242 ( -0.542 0.000 0.324) 0.632 1.307 ( 0.055 0.000 2.303) 2.303 1.316 ( -1.484 0.000 0.286) 1.512 1.333 ( -1.033 0.000 2.585) 2.783 1.344 ( -0.243 0.000 0.900) 0.932 1.373 ( 0.130 0.000 0.037) 0.135 1.387 ( 1.360 0.000 0.054) 1.361 1.390 ( -0.005 0.000 -3.441) 3.441 1.420 ( -0.509 0.000 2.386) 2.440 1.448 ( 4.335 0.000 -0.330) 4.347 1.477 ( 1.783 0.000 -2.374) 2.969 1.518 ( 0.247 0.000 2.318) 2.331 1.521 ( -1.615 0.000 -1.676) 2.327 1.554 ( -2.590 0.000 2.361) 3.505 1.567 ( -2.374 0.000 -0.945) 2.555 1.576 ( -0.392 0.000 0.658) 0.766 1.578 ( -2.622 0.000 -0.231) 2.632 1.606 ( 0.474 0.000 0.035) 0.475 1.620 ( 1.463 0.000 -2.058) 2.525 1.633 ( 3.363 0.000 0.189) 3.369 1.705 ( 5.220 0.000 -2.036) 5.603 1.736 ( -0.060 0.000 -0.085) 0.104 1.742 ( 0.951 0.000 0.573) 1.110 1.766 ( -2.274 0.000 0.606) 2.353 1.800 ( 1.911 0.000 0.572) 1.995 1.849 ( -0.890 0.000 2.063) 2.247 1.855 ( -2.574 0.000 -1.063) 2.785 1.949 ( 0.626 0.000 1.129) 1.291 1.952 ( 0.392 0.000 0.029) 0.393 2.043 ( -0.348 0.000 0.479) 0.592 2.053 ( 0.489 0.000 0.159) 0.514 2.112 ( -1.991 0.000 1.546) 2.520 2.119 ( 0.686 0.000 5.401) 5.444 2.180 ( 1.873 0.000 -4.414) 4.795 2.182 ( 1.958 0.000 -2.269) 2.997 2.260 ( 0.837 0.000 -0.054) 0.839 2.263 ( 0.368 0.000 -2.175) 2.206 2.366 ( -0.359 0.000 1.920) 1.954 2.375 ( -0.647 0.000 -0.323) 0.723 2.420 ( -0.263 0.000 1.181) 1.210 2.458 ( 1.145 0.000 -3.148) 3.350 2.471 ( -1.205 0.000 0.098) 1.209 2.495 ( 1.086 0.000 -0.298) 1.126 2.561 ( -1.548 0.000 1.937) 2.479 2.595 ( 0.715 0.000 -0.873) 1.128 2.705 ( -3.023 0.000 0.231) 3.032 2.754 ( -1.048 0.000 -1.014) 1.459 2.770 ( 2.072 0.000 -3.022) 3.664 2.781 ( 0.815 0.000 -1.414) 1.632 2.795 ( 0.226 0.000 1.513) 1.530 2.804 ( -0.812 0.000 0.647) 1.038 2.809 ( -0.011 0.000 -1.037) 1.037 2.822 ( 1.325 0.000 -0.431) 1.393 2.954 ( -0.896 0.000 1.096) 1.416 2.999 ( 2.105 0.000 -1.905) 2.839 3.154 ( -0.643 0.000 3.491) 3.550 3.195 ( 0.361 0.000 -3.107) 3.128 3.524 ( -2.678 0.000 2.548) 3.697 3.565 ( 2.253 0.000 5.256) 5.718 3.593 ( 0.048 0.000 -2.451) 2.452 3.598 ( 0.102 0.000 -5.049) 5.050 3.751 ( -1.689 0.000 -0.479) 1.755 3.783 ( 2.151 0.000 0.393) 2.187 3.857 ( -1.830 0.000 2.550) 3.139 3.917 ( 1.879 0.000 -2.491) 3.120 3.956 ( -0.948 0.000 0.673) 1.163 3.978 ( 0.536 0.000 -0.842) 0.998 4.202 ( -0.434 0.000 -0.180) 0.470 4.218 ( 1.247 0.000 -0.004) 1.247 4.397 ( -0.057 0.000 1.642) 1.643 4.415 ( 0.699 0.000 -0.835) 1.089 4.655 ( -0.425 0.000 3.014) 3.043 4.692 ( -0.130 0.000 -4.403) 4.405 4.705 ( -1.731 0.000 3.462) 3.870 4.797 ( 3.363 0.000 -6.766) 7.556 5.496 ( -0.278 0.000 -0.093) 0.293 5.501 ( 0.104 0.000 -0.207) 0.232 5.648 ( -2.210 0.000 3.663) 4.277 5.685 ( 0.536 0.000 1.082) 1.208 5.691 ( -1.993 0.000 1.921) 2.768 5.716 ( -1.783 0.000 1.938) 2.634 5.719 ( 1.773 0.000 -0.146) 1.779 5.784 ( 0.395 0.000 2.129) 2.165 5.788 ( 2.165 0.000 -0.780) 2.301 5.801 ( -0.200 0.000 -4.266) 4.271 6.054 ( -3.230 0.000 4.877) 5.849 6.096 ( -1.851 0.000 4.997) 5.329 6.165 ( 2.140 0.000 -5.735) 6.121 6.211 ( 3.362 0.000 -5.968) 6.850 6.393 ( -2.049 0.000 2.121) 2.948 6.454 ( 0.103 0.000 -1.637) 1.640 6.469 ( 0.578 0.000 -2.043) 2.124 6.479 ( 0.790 0.000 0.151) 0.804 6.564 ( -0.867 0.000 -1.435) 1.677 6.581 ( 2.457 0.000 2.425) 3.452 6.631 ( -2.147 0.000 -1.483) 2.609 6.654 ( 0.905 0.000 0.383) 0.983 6.770 ( -4.110 0.000 -1.438) 4.354 6.800 ( 1.115 0.000 3.719) 3.883 6.877 ( -0.020 0.000 -1.814) 1.814 6.900 ( 3.127 0.000 -1.134) 3.326 7.210 ( -4.312 0.000 -0.309) 4.323 7.288 ( 5.431 0.000 3.024) 6.216 7.382 ( -1.815 0.000 -1.801) 2.557 7.397 ( 1.052 0.000 0.889) 1.378 7.493 ( -2.633 0.000 0.803) 2.753 7.549 ( 2.783 0.000 -0.610) 2.850 7.718 ( -1.444 0.000 2.061) 2.517 7.748 ( -0.051 0.000 -1.348) 1.349 7.875 ( -1.041 0.000 1.751) 2.037 7.916 ( 1.523 0.000 -1.955) 2.478 8.156 ( -1.549 0.000 1.765) 2.348 8.188 ( 0.648 0.000 -0.787) 1.020 8.707 ( -0.573 0.000 1.433) 1.544 8.734 ( 0.718 0.000 -1.467) 1.633 9.015 ( -0.686 0.000 1.353) 1.517 9.033 ( 0.513 0.000 -0.143) 0.532 9.323 ( 0.082 0.000 1.883) 1.885 9.339 ( -0.541 0.000 -3.309) 3.353 9.355 ( -0.823 0.000 -0.484) 0.955 9.380 ( 1.793 0.000 -0.129) 1.797 9.471 ( -3.803 0.000 -0.733) 3.873 9.528 ( 3.338 0.000 1.348) 3.600 9.580 ( -3.018 0.000 1.752) 3.489 9.651 ( 2.751 0.000 -1.924) 3.357 9.748 ( -1.447 0.000 2.419) 2.818 9.793 ( -2.392 0.000 3.699) 4.405 9.798 ( 1.566 0.000 -2.175) 2.680 9.876 ( 3.077 0.000 -3.057) 4.337 10.526 ( -0.321 0.000 -0.045) 0.325 10.535 ( 0.931 0.000 0.599) 1.107 10.587 ( -1.094 0.000 0.034) 1.095 10.596 ( -0.120 0.000 0.085) 0.147 10.731 ( -0.075 0.000 -0.142) 0.161 10.738 ( 0.760 0.000 0.098) 0.766 10.889 ( -0.495 0.000 1.381) 1.467 10.913 ( 0.568 0.000 -1.492) 1.597 ======================= Grid point 54 (29/39) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -6.353 0.000 7.794) 10.055 0.405 ( -4.916 0.000 9.473) 10.672 0.583 ( 1.135 0.000 -3.258) 3.450 0.675 ( 0.458 0.000 -1.742) 1.801 0.721 ( -1.234 0.000 -3.986) 4.173 0.752 ( -1.370 0.000 -0.833) 1.604 0.787 ( -0.611 0.000 -1.464) 1.586 0.832 ( 0.942 0.000 2.200) 2.393 0.856 ( -0.515 0.000 0.577) 0.774 0.862 ( 1.947 0.000 -0.621) 2.044 0.908 ( 0.291 0.000 0.547) 0.620 0.920 ( -4.842 0.000 8.649) 9.912 0.949 ( 2.930 0.000 0.415) 2.959 0.956 ( 0.766 0.000 1.506) 1.689 0.962 ( 0.525 0.000 1.101) 1.220 0.965 ( -0.780 0.000 0.569) 0.965 1.015 ( -1.216 0.000 1.445) 1.888 1.040 ( 0.558 0.000 0.631) 0.842 1.045 ( 0.600 0.000 2.708) 2.774 1.062 ( -0.206 0.000 1.441) 1.456 1.071 ( 0.260 0.000 0.050) 0.265 1.095 ( -0.998 0.000 -0.528) 1.129 1.101 ( -0.515 0.000 0.478) 0.703 1.113 ( 0.940 0.000 1.125) 1.466 1.120 ( 0.639 0.000 -1.419) 1.556 1.131 ( -1.116 0.000 -0.972) 1.480 1.149 ( 0.466 0.000 -0.114) 0.480 1.167 ( -0.419 0.000 1.731) 1.781 1.169 ( -0.231 0.000 -0.460) 0.515 1.209 ( 2.550 0.000 0.776) 2.665 1.232 ( -0.009 0.000 1.267) 1.267 1.239 ( 1.109 0.000 0.689) 1.306 1.286 ( -1.868 0.000 0.463) 1.924 1.312 ( -2.402 0.000 1.014) 2.607 1.333 ( -0.962 0.000 0.698) 1.189 1.355 ( 0.143 0.000 0.700) 0.715 1.361 ( 0.962 0.000 -3.209) 3.350 1.384 ( 0.508 0.000 -3.294) 3.333 1.395 ( 2.240 0.000 -0.756) 2.364 1.411 ( -1.442 0.000 -1.031) 1.773 1.462 ( -0.391 0.000 -1.403) 1.456 1.473 ( -1.760 0.000 -0.686) 1.889 1.493 ( -1.829 0.000 -1.899) 2.636 1.510 ( -0.250 0.000 0.946) 0.979 1.532 ( 1.213 0.000 -0.192) 1.228 1.564 ( 1.441 0.000 1.143) 1.839 1.573 ( -1.373 0.000 3.481) 3.742 1.607 ( 3.143 0.000 1.173) 3.355 1.631 ( 1.297 0.000 -1.731) 2.162 1.643 ( 2.907 0.000 0.696) 2.989 1.687 ( 1.042 0.000 0.416) 1.122 1.727 ( -1.746 0.000 0.590) 1.843 1.735 ( -0.154 0.000 -0.278) 0.318 1.749 ( 1.148 0.000 -0.694) 1.341 1.754 ( -1.194 0.000 -1.787) 2.149 1.808 ( -1.407 0.000 0.883) 1.661 1.832 ( 2.154 0.000 -1.131) 2.433 1.846 ( -1.602 0.000 2.631) 3.081 1.972 ( 1.408 0.000 0.096) 1.411 1.976 ( -0.143 0.000 2.440) 2.444 2.046 ( -0.231 0.000 -0.396) 0.458 2.050 ( -1.887 0.000 1.015) 2.143 2.107 ( -0.250 0.000 1.717) 1.735 2.143 ( -2.980 0.000 3.386) 4.510 2.187 ( 5.035 0.000 -6.285) 8.053 2.197 ( 0.892 0.000 -1.644) 1.870 2.258 ( 2.319 0.000 -1.880) 2.986 2.276 ( 1.023 0.000 -0.005) 1.023 2.345 ( -1.815 0.000 -1.586) 2.410 2.353 ( -0.186 0.000 -1.509) 1.520 2.413 ( -1.789 0.000 1.691) 2.462 2.425 ( -0.677 0.000 -2.027) 2.137 2.461 ( 0.031 0.000 -0.659) 0.660 2.502 ( 0.518 0.000 -1.290) 1.390 2.551 ( -2.027 0.000 1.692) 2.640 2.574 ( -1.961 0.000 -0.860) 2.141 2.667 ( 0.235 0.000 0.103) 0.256 2.718 ( -0.754 0.000 -2.419) 2.533 2.736 ( -0.722 0.000 -1.200) 1.401 2.757 ( -1.505 0.000 -1.352) 2.023 2.813 ( 0.342 0.000 1.110) 1.161 2.822 ( 1.287 0.000 -0.123) 1.293 2.835 ( 0.831 0.000 1.427) 1.651 2.849 ( 1.288 0.000 0.477) 1.373 2.960 ( 0.059 0.000 1.290) 1.292 3.010 ( 1.409 0.000 -1.970) 2.422 3.164 ( -1.443 0.000 1.865) 2.358 3.175 ( 0.812 0.000 -2.456) 2.587 3.490 ( -0.976 0.000 -0.717) 1.211 3.528 ( -0.385 0.000 -3.329) 3.351 3.611 ( 0.100 0.000 3.891) 3.892 3.712 ( 4.178 0.000 4.033) 5.807 3.731 ( 0.205 0.000 1.023) 1.044 3.816 ( 0.619 0.000 0.078) 0.623 3.856 ( -1.091 0.000 2.525) 2.751 3.921 ( 1.401 0.000 -2.651) 2.998 3.949 ( -0.638 0.000 1.194) 1.354 3.976 ( 0.266 0.000 -0.637) 0.690 4.181 ( -0.372 0.000 -1.631) 1.673 4.222 ( 0.458 0.000 -2.147) 2.195 4.414 ( -0.220 0.000 1.520) 1.536 4.431 ( 1.732 0.000 -0.799) 1.908 4.651 ( 0.189 0.000 -1.510) 1.522 4.665 ( -1.691 0.000 2.339) 2.886 4.716 ( -1.943 0.000 4.590) 4.984 4.799 ( 4.177 0.000 -6.102) 7.394 5.486 ( -0.346 0.000 -0.214) 0.407 5.497 ( 0.015 0.000 -0.492) 0.492 5.633 ( -2.080 0.000 1.118) 2.361 5.687 ( -0.069 0.000 -1.275) 1.276 5.701 ( 1.530 0.000 -1.340) 2.034 5.704 ( -3.047 0.000 6.755) 7.410 5.719 ( -1.537 0.000 -0.877) 1.770 5.787 ( 2.790 0.000 -2.023) 3.446 5.811 ( -0.748 0.000 2.376) 2.490 5.838 ( 3.837 0.000 -1.671) 4.185 6.017 ( -5.524 0.000 4.276) 6.985 6.088 ( -0.513 0.000 -2.965) 3.009 6.158 ( 0.718 0.000 1.265) 1.454 6.222 ( 3.530 0.000 -4.211) 5.495 6.382 ( -0.735 0.000 1.155) 1.369 6.437 ( -1.080 0.000 -0.034) 1.080 6.464 ( 1.241 0.000 -0.683) 1.416 6.494 ( 0.663 0.000 -0.014) 0.664 6.561 ( -0.857 0.000 -1.092) 1.388 6.590 ( -3.496 0.000 -2.377) 4.228 6.592 ( 2.361 0.000 -2.373) 3.347 6.674 ( 0.536 0.000 2.290) 2.351 6.715 ( -0.234 0.000 1.191) 1.214 6.835 ( -1.111 0.000 3.459) 3.633 6.889 ( 1.473 0.000 1.557) 2.143 6.956 ( 3.438 0.000 -1.024) 3.587 7.173 ( 0.117 0.000 0.470) 0.485 7.315 ( -3.493 0.000 -1.755) 3.909 7.386 ( 0.064 0.000 -0.605) 0.608 7.404 ( -0.613 0.000 -0.355) 0.708 7.474 ( 1.602 0.000 3.492) 3.841 7.593 ( 3.101 0.000 -1.189) 3.321 7.708 ( -1.882 0.000 2.037) 2.774 7.728 ( -1.066 0.000 -0.526) 1.189 7.880 ( -0.501 0.000 1.061) 1.173 7.919 ( 1.183 0.000 -2.247) 2.539 8.145 ( -1.470 0.000 1.656) 2.214 8.184 ( 0.111 0.000 -1.132) 1.138 8.712 ( -0.486 0.000 1.260) 1.350 8.734 ( 0.825 0.000 -1.247) 1.495 9.022 ( -0.561 0.000 2.075) 2.149 9.059 ( 2.508 0.000 -0.198) 2.516 9.273 ( -2.946 0.000 -3.407) 4.504 9.294 ( -1.827 0.000 -2.376) 2.997 9.362 ( 0.265 0.000 1.133) 1.164 9.395 ( 0.369 0.000 -0.325) 0.492 9.407 ( -2.295 0.000 0.446) 2.338 9.473 ( -3.000 0.000 -2.311) 3.787 9.668 ( 2.600 0.000 3.198) 4.122 9.687 ( 2.253 0.000 -0.821) 2.398 9.760 ( -0.272 0.000 3.501) 3.512 9.814 ( 1.988 0.000 -1.064) 2.255 9.816 ( 0.673 0.000 3.408) 3.473 9.897 ( 2.636 0.000 -3.637) 4.492 10.527 ( 0.514 0.000 -0.075) 0.519 10.561 ( 1.082 0.000 -0.349) 1.137 10.569 ( -1.111 0.000 0.790) 1.363 10.585 ( -0.856 0.000 0.054) 0.858 10.734 ( 0.417 0.000 -0.062) 0.422 10.749 ( 0.437 0.000 -0.320) 0.541 10.892 ( -0.731 0.000 1.154) 1.366 10.909 ( 0.740 0.000 -1.337) 1.528 ======================= Grid point 55 (30/39) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -3.084 5.684 6.664) 9.285 0.572 ( 2.665 7.433 2.433) 8.262 0.611 ( 1.351 3.333 -1.523) 3.906 0.676 ( 1.508 0.215 -0.069) 1.525 0.694 ( -1.370 1.992 -3.235) 4.038 0.708 ( 0.712 0.086 -1.664) 1.812 0.765 ( -0.966 -1.502 1.608) 2.403 0.802 ( 0.848 -1.581 -2.039) 2.716 0.854 ( 0.297 -0.092 0.866) 0.920 0.878 ( 0.012 -1.478 -0.622) 1.603 0.898 ( -0.322 -0.733 1.397) 1.610 0.918 ( -1.907 -1.400 1.123) 2.619 0.935 ( 1.071 -1.957 1.984) 2.985 0.945 ( 0.367 -1.917 -0.363) 1.985 0.966 ( -0.175 -1.664 1.463) 2.222 0.990 ( -1.014 -2.442 0.456) 2.683 1.017 ( -0.629 0.086 -0.816) 1.033 1.033 ( -0.759 0.379 0.400) 0.938 1.042 ( -0.469 -0.693 -0.764) 1.133 1.050 ( 0.823 0.759 -0.667) 1.303 1.087 ( -1.086 -0.312 1.038) 1.534 1.102 ( 1.777 -0.207 1.705) 2.471 1.106 ( -0.981 -0.612 -0.203) 1.174 1.115 ( -0.131 -0.722 -0.702) 1.015 1.125 ( 0.073 0.816 0.991) 1.286 1.148 ( 1.069 0.756 -1.009) 1.653 1.169 ( 0.301 0.260 2.154) 2.190 1.190 ( -0.726 -0.298 2.948) 3.051 1.203 ( -0.128 -0.835 0.264) 0.885 1.215 ( -0.433 0.437 0.634) 0.884 1.256 ( 0.410 0.791 0.324) 0.948 1.270 ( 0.658 0.750 -0.480) 1.107 1.293 ( -0.294 0.712 1.007) 1.268 1.315 ( 0.393 1.068 1.646) 2.001 1.333 ( 0.137 1.503 0.756) 1.688 1.336 ( -1.308 -0.026 -0.694) 1.481 1.354 ( -0.423 0.732 -1.674) 1.875 1.359 ( 0.146 0.946 -1.827) 2.063 1.383 ( -1.433 1.199 1.597) 2.458 1.404 ( 0.137 2.100 -0.061) 2.105 1.444 ( -1.366 -0.426 0.588) 1.547 1.452 ( 0.140 -0.123 -0.134) 0.230 1.478 ( 0.702 0.983 2.074) 2.400 1.536 ( 0.792 -0.659 0.654) 1.221 1.559 ( -0.239 0.950 -0.644) 1.173 1.582 ( 1.154 -0.168 -0.155) 1.177 1.608 ( 2.179 -1.032 1.575) 2.880 1.645 ( 1.599 -1.324 1.466) 2.541 1.650 ( -1.370 1.034 -1.068) 2.022 1.659 ( 0.149 1.501 -1.088) 1.860 1.681 ( -1.223 0.239 -3.352) 3.576 1.691 ( -1.484 0.129 -2.658) 3.047 1.700 ( 0.643 -0.773 0.752) 1.256 1.715 ( 0.159 -0.612 -0.695) 0.939 1.812 ( 0.236 1.225 1.513) 1.961 1.817 ( -0.214 1.946 1.987) 2.789 1.839 ( -1.011 -0.499 0.008) 1.127 1.866 ( 0.886 0.436 -1.604) 1.883 1.955 ( -0.519 -2.909 2.818) 4.084 1.984 ( 1.629 -1.997 -0.084) 2.578 2.028 ( -1.445 0.481 2.697) 3.098 2.055 ( -3.392 1.415 2.666) 4.541 2.091 ( -3.076 -1.130 2.918) 4.388 2.127 ( -1.100 0.364 1.492) 1.889 2.192 ( 0.808 0.401 -3.079) 3.208 2.212 ( 3.638 0.451 -5.043) 6.234 2.248 ( -0.024 -1.590 -0.676) 1.728 2.284 ( 0.928 -1.429 -3.160) 3.590 2.308 ( -0.060 -0.195 -0.207) 0.291 2.320 ( 0.204 -0.658 -1.260) 1.436 2.422 ( -0.020 0.214 0.542) 0.583 2.438 ( -1.754 -0.871 0.972) 2.186 2.443 ( 1.004 0.830 -0.414) 1.367 2.468 ( 0.562 1.202 -0.990) 1.656 2.533 ( -0.447 -1.250 1.240) 1.817 2.550 ( 0.398 -0.119 -0.482) 0.636 2.675 ( -0.087 0.337 -0.073) 0.356 2.692 ( 0.082 0.391 -1.723) 1.769 2.723 ( -0.394 0.311 0.066) 0.506 2.741 ( 0.935 0.414 -1.508) 1.822 2.831 ( 0.134 0.284 0.045) 0.317 2.834 ( 0.629 -0.127 0.034) 0.642 2.855 ( 0.062 -0.390 0.544) 0.672 2.859 ( 0.286 -0.505 0.309) 0.657 2.995 ( -0.111 1.597 1.193) 1.996 3.025 ( 0.745 0.799 -1.669) 1.994 3.143 ( -0.632 -0.475 0.980) 1.259 3.165 ( 0.795 -0.647 -1.234) 1.604 3.505 ( -0.107 2.517 0.257) 2.533 3.521 ( 0.288 1.885 -1.001) 2.154 3.653 ( 0.152 -1.567 3.046) 3.429 3.696 ( 0.040 -2.403 -0.941) 2.581 3.796 ( 1.032 1.436 1.732) 2.475 3.836 ( -0.828 1.512 -1.395) 2.218 3.871 ( -0.706 -0.020 1.480) 1.640 3.913 ( 0.776 -0.171 -2.209) 2.348 3.952 ( -0.644 0.085 2.903) 2.975 3.999 ( 1.055 1.159 -1.470) 2.149 4.091 ( 0.281 -5.531 -0.165) 5.541 4.121 ( -0.739 -4.944 -2.568) 5.620 4.488 ( -0.773 4.653 1.503) 4.950 4.526 ( 1.260 4.753 -2.311) 5.434 4.635 ( -1.390 -1.251 1.539) 2.422 4.665 ( 1.803 -0.984 -1.432) 2.504 4.815 ( -1.783 7.930 2.803) 8.597 4.895 ( 3.807 6.688 -5.310) 9.350 5.410 ( -1.335 -7.567 1.381) 7.808 5.453 ( 1.424 -5.522 -2.966) 6.428 5.585 ( -0.483 -0.634 1.373) 1.588 5.614 ( -0.567 -2.585 -1.376) 2.983 5.687 ( -1.800 0.454 3.554) 4.010 5.703 ( -1.322 -0.160 2.894) 3.186 5.733 ( 1.007 0.761 0.335) 1.306 5.772 ( -2.394 -1.737 2.898) 4.141 5.802 ( 0.988 -2.403 -3.524) 4.378 5.834 ( 2.458 -1.299 -2.787) 3.937 5.999 ( -5.442 2.332 6.439) 8.748 6.104 ( -1.092 0.252 2.309) 2.566 6.152 ( 2.564 -0.245 -2.432) 3.542 6.241 ( 3.475 -0.972 -4.891) 6.078 6.399 ( 1.086 0.078 0.131) 1.097 6.415 ( -0.009 -0.226 -1.406) 1.424 6.460 ( 1.285 -0.838 0.296) 1.563 6.474 ( -0.953 -1.335 -1.085) 1.966 6.554 ( -0.629 2.302 -0.704) 2.488 6.574 ( -0.306 2.105 -2.890) 3.588 6.666 ( 0.570 4.433 1.477) 4.707 6.706 ( -0.273 4.808 -2.204) 5.296 6.796 ( 1.659 0.099 3.002) 3.432 6.825 ( -0.626 -1.136 0.500) 1.390 6.906 ( 0.293 -2.676 2.218) 3.488 6.947 ( 0.574 -3.067 -1.739) 3.572 7.201 ( -3.297 -0.826 0.581) 3.448 7.203 ( 1.941 -0.811 0.563) 2.178 7.359 ( 0.017 -0.193 0.804) 0.827 7.374 ( -0.235 -0.600 -0.521) 0.829 7.568 ( -0.130 0.992 3.362) 3.508 7.615 ( -0.333 -0.412 -1.206) 1.318 7.699 ( 0.200 0.021 0.444) 0.488 7.711 ( -0.059 -0.070 -0.627) 0.634 7.892 ( -0.935 1.683 1.555) 2.474 7.928 ( 0.768 0.860 -1.982) 2.293 8.140 ( -0.781 -0.027 1.497) 1.689 8.165 ( 0.124 -0.748 -0.974) 1.234 8.755 ( -0.469 3.251 0.610) 3.341 8.770 ( 0.644 2.919 -0.882) 3.117 8.989 ( -0.828 -3.502 2.498) 4.380 9.034 ( 0.297 -4.906 -1.791) 5.231 9.212 ( -0.997 1.801 2.375) 3.143 9.262 ( -0.707 0.782 -2.616) 2.821 9.350 ( 1.164 -1.242 0.981) 1.964 9.371 ( 0.172 -1.123 -0.852) 1.421 9.443 ( 0.266 2.332 0.007) 2.347 9.457 ( -0.384 2.241 -1.507) 2.728 9.653 ( -0.379 -2.696 0.838) 2.848 9.667 ( 1.017 -2.881 -0.596) 3.113 9.798 ( -1.445 0.367 3.989) 4.259 9.830 ( -1.361 -0.574 2.916) 3.269 9.884 ( 2.191 1.736 -3.543) 4.513 9.910 ( 1.387 0.958 -3.879) 4.230 10.535 ( -0.168 -0.429 0.177) 0.493 10.537 ( -0.060 -0.355 -0.015) 0.360 10.553 ( -0.068 -0.848 0.694) 1.098 10.564 ( 0.102 -1.069 -0.392) 1.143 10.769 ( -0.903 2.458 0.915) 2.774 10.791 ( 0.614 2.873 -1.214) 3.179 10.873 ( -1.071 -1.229 1.184) 2.015 10.900 ( 1.055 -1.242 -1.358) 2.121 ======================= Grid point 56 (31/39) ======================= q-point: ( 0.20 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.124 3.960 3.253) 5.126 0.588 ( 1.280 1.581 -3.810) 4.319 0.626 ( -0.668 0.549 -3.706) 3.805 0.669 ( 0.584 3.411 -0.855) 3.565 0.688 ( -0.246 -0.308 0.924) 1.004 0.723 ( 2.131 1.730 0.379) 2.770 0.778 ( 0.988 -0.697 1.437) 1.878 0.804 ( 1.276 -0.375 -0.952) 1.635 0.841 ( -1.597 -1.779 -0.121) 2.394 0.855 ( -0.727 -0.623 -1.069) 1.435 0.905 ( 0.478 -0.585 0.387) 0.849 0.913 ( -1.112 -0.974 1.679) 2.237 0.943 ( -0.442 -1.278 -0.109) 1.357 0.952 ( -1.208 -1.233 -0.198) 1.738 0.968 ( 0.577 -1.098 -0.976) 1.578 1.004 ( -0.678 0.132 0.606) 0.919 1.007 ( 0.355 -2.608 1.095) 2.851 1.020 ( -0.744 -1.389 2.141) 2.658 1.044 ( 0.088 0.234 -0.330) 0.414 1.063 ( 1.263 -0.123 -0.093) 1.273 1.079 ( -1.372 -0.965 0.426) 1.730 1.086 ( -0.527 -1.311 -0.082) 1.415 1.113 ( -0.250 0.178 1.100) 1.142 1.116 ( -0.074 0.549 0.486) 0.737 1.129 ( 0.176 0.425 0.650) 0.797 1.156 ( 0.669 0.361 -1.284) 1.493 1.164 ( -0.095 -0.293 -1.404) 1.437 1.195 ( -0.733 0.189 -0.122) 0.766 1.209 ( -1.057 0.768 -0.958) 1.620 1.223 ( -0.487 -0.311 0.040) 0.579 1.247 ( 0.844 0.928 1.587) 2.024 1.279 ( 0.434 0.167 -0.450) 0.647 1.302 ( -0.278 0.167 -1.407) 1.444 1.306 ( -0.374 -0.764 0.103) 0.857 1.323 ( -0.903 1.565 1.632) 2.435 1.338 ( -0.586 1.287 1.059) 1.767 1.353 ( 1.687 0.656 1.840) 2.581 1.358 ( 0.246 1.790 0.283) 1.829 1.383 ( -0.298 0.960 0.357) 1.066 1.422 ( 0.454 1.783 -0.397) 1.882 1.441 ( -1.529 -0.874 0.870) 1.965 1.452 ( 0.117 0.798 0.407) 0.903 1.513 ( 0.345 0.023 1.923) 1.953 1.535 ( 1.870 0.757 -3.005) 3.619 1.553 ( -1.080 0.546 -1.800) 2.169 1.569 ( 0.106 -0.974 0.607) 1.153 1.591 ( -2.788 -1.837 -1.188) 3.543 1.618 ( -0.341 2.563 -4.081) 4.831 1.631 ( -2.634 0.674 -0.893) 2.862 1.658 ( 1.978 0.742 1.344) 2.504 1.669 ( -1.400 -1.326 0.671) 2.042 1.692 ( -0.202 -0.692 1.334) 1.516 1.701 ( 1.705 1.048 1.872) 2.741 1.724 ( 0.897 -0.262 -0.063) 0.937 1.807 ( -1.948 0.579 -0.538) 2.102 1.833 ( 0.061 2.652 1.190) 2.907 1.835 ( -0.189 1.607 -0.075) 1.620 1.876 ( 1.175 -0.530 -0.557) 1.405 1.948 ( -1.147 -0.771 0.274) 1.409 1.987 ( -0.621 -3.538 -1.934) 4.080 2.032 ( -3.498 -0.530 5.220) 6.306 2.053 ( -0.560 1.286 3.940) 4.182 2.067 ( -0.774 0.189 1.307) 1.531 2.132 ( -0.842 -0.530 1.928) 2.170 2.171 ( 0.572 0.957 -2.220) 2.484 2.227 ( 1.640 -0.826 -2.071) 2.768 2.250 ( 0.508 -1.354 -0.643) 1.582 2.257 ( -0.231 -0.887 -2.175) 2.360 2.291 ( -0.908 -0.966 0.512) 1.421 2.306 ( -0.418 -0.972 0.095) 1.062 2.418 ( -0.344 -0.396 0.294) 0.602 2.441 ( 0.915 0.259 1.277) 1.593 2.464 ( -0.251 0.705 -0.749) 1.059 2.482 ( 2.244 2.063 -0.405) 3.075 2.532 ( 0.573 -1.732 0.218) 1.837 2.574 ( 1.198 -0.792 -0.396) 1.490 2.678 ( 1.066 0.751 -0.220) 1.322 2.698 ( 0.896 -0.034 0.153) 0.909 2.734 ( 1.470 0.712 0.120) 1.638 2.754 ( 1.750 0.494 -0.798) 1.986 2.823 ( -0.761 0.150 -0.451) 0.897 2.835 ( 0.062 -0.234 -0.938) 0.969 2.852 ( -0.571 -0.417 -0.382) 0.804 2.856 ( -0.326 -0.520 -0.676) 0.913 2.996 ( -0.983 1.468 0.836) 1.955 3.011 ( -0.009 0.936 -1.911) 2.128 3.136 ( -1.138 -0.110 0.811) 1.401 3.170 ( 1.102 -1.322 -0.975) 1.978 3.507 ( -0.421 2.123 0.294) 2.184 3.512 ( 0.283 2.900 -0.259) 2.925 3.653 ( -1.841 -2.866 -0.581) 3.456 3.689 ( -0.062 -2.559 -0.417) 2.594 3.792 ( -0.672 2.618 -0.967) 2.870 3.843 ( 1.015 1.284 0.658) 1.764 3.875 ( -1.025 0.602 2.084) 2.399 3.908 ( 1.182 -0.338 -2.023) 2.367 3.962 ( -1.133 -0.079 1.745) 2.082 3.997 ( 1.008 0.912 -2.545) 2.885 4.088 ( -0.168 -4.849 -0.621) 4.891 4.110 ( 0.388 -5.141 1.795) 5.459 4.476 ( -1.900 4.756 1.317) 5.288 4.510 ( -0.180 4.756 -1.908) 5.128 4.619 ( -1.222 -1.090 0.871) 1.855 4.688 ( 1.786 -1.988 -1.647) 3.140 4.811 ( -1.543 8.033 2.351) 8.511 4.904 ( 3.461 6.438 -5.885) 9.384 5.408 ( -0.476 -7.178 1.865) 7.432 5.464 ( 2.241 -5.413 -1.893) 6.157 5.581 ( -1.421 -2.216 1.158) 2.875 5.609 ( 0.247 -1.735 0.850) 1.948 5.676 ( -1.377 1.253 0.850) 2.047 5.707 ( -3.380 -0.317 5.331) 6.321 5.753 ( -0.525 -0.593 0.462) 0.917 5.758 ( -1.213 -0.652 1.744) 2.222 5.767 ( 0.568 -1.680 -3.741) 4.140 5.838 ( 0.968 -2.073 -2.271) 3.224 6.001 ( -1.896 2.281 6.741) 7.364 6.108 ( -2.795 -0.650 4.590) 5.414 6.175 ( 4.288 1.308 -5.400) 7.018 6.248 ( 3.120 -0.201 -5.854) 6.636 6.399 ( 0.839 -0.534 -1.191) 1.551 6.427 ( 0.793 -0.979 -0.579) 1.387 6.448 ( -0.138 -0.258 -0.485) 0.566 6.491 ( 1.030 -0.910 0.015) 1.375 6.552 ( -0.026 1.810 1.014) 2.075 6.576 ( 2.068 1.464 1.225) 2.814 6.632 ( -2.262 5.812 -0.700) 6.276 6.725 ( 1.434 2.679 0.220) 3.047 6.790 ( -1.926 0.614 -2.513) 3.225 6.842 ( 1.148 -1.973 0.356) 2.310 6.907 ( -1.902 -2.255 0.666) 3.024 6.916 ( -1.151 -2.522 -2.322) 3.616 7.165 ( -0.814 1.327 1.548) 2.195 7.276 ( 4.010 -2.111 0.703) 4.586 7.371 ( 0.755 -0.434 -0.240) 0.903 7.375 ( 0.102 -0.333 0.343) 0.489 7.545 ( -4.130 0.672 -0.996) 4.301 7.567 ( -2.761 0.151 1.551) 3.170 7.717 ( 0.411 0.131 0.928) 1.023 7.728 ( 1.877 -0.675 -1.000) 2.231 7.898 ( -0.535 1.628 1.866) 2.533 7.925 ( 0.917 1.013 -1.634) 2.130 8.148 ( -0.350 -0.165 1.775) 1.817 8.163 ( 0.663 -0.536 -0.563) 1.022 8.750 ( -0.739 3.326 0.691) 3.477 8.772 ( 0.593 3.016 -0.937) 3.214 8.985 ( -1.523 -3.603 1.379) 4.148 9.020 ( -0.522 -3.989 -0.328) 4.036 9.237 ( 1.247 0.885 0.738) 1.698 9.259 ( 1.230 0.613 1.635) 2.136 9.366 ( 0.616 -0.586 -1.836) 2.024 9.391 ( 2.458 -1.562 -0.232) 2.921 9.442 ( -0.074 2.408 -0.351) 2.434 9.462 ( 1.311 1.371 0.699) 2.022 9.638 ( -1.650 -2.248 -0.031) 2.789 9.668 ( -0.076 -3.132 -1.357) 3.414 9.799 ( -2.702 0.392 3.156) 4.173 9.821 ( -2.201 -0.164 2.235) 3.141 9.866 ( 0.299 1.648 -3.376) 3.769 9.890 ( 0.639 1.141 -3.013) 3.284 10.529 ( -0.354 0.408 0.126) 0.555 10.535 ( -0.330 -0.553 0.202) 0.675 10.564 ( 0.635 -1.116 -0.162) 1.295 10.572 ( 0.841 -1.197 0.028) 1.463 10.759 ( -1.179 2.429 1.229) 2.966 10.791 ( 0.411 3.155 -0.725) 3.264 10.866 ( -1.084 -1.369 1.404) 2.240 10.903 ( 0.813 -1.295 -1.296) 2.005 ======================= Grid point 57 (32/39) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -4.500 0.177 -1.618) 4.785 0.537 ( 2.884 0.584 -4.799) 5.629 0.626 ( 1.104 -1.632 2.774) 3.403 0.647 ( 1.995 2.634 -1.010) 3.455 0.712 ( -2.470 1.631 1.633) 3.381 0.738 ( 0.830 -2.743 -1.700) 3.332 0.794 ( -0.077 -0.335 -1.352) 1.395 0.812 ( -0.160 0.043 2.502) 2.508 0.840 ( -0.029 -0.545 0.798) 0.967 0.863 ( 2.871 -0.384 -1.049) 3.080 0.885 ( -1.914 0.983 -0.155) 2.158 0.898 ( -0.845 -0.564 0.060) 1.018 0.926 ( -0.019 -2.100 -0.866) 2.272 0.940 ( -1.569 0.427 -0.783) 1.805 0.963 ( -0.570 -0.569 0.939) 1.238 0.982 ( -0.207 -1.043 -0.288) 1.101 1.000 ( -1.053 0.202 -0.271) 1.106 1.035 ( -0.200 0.149 1.178) 1.204 1.037 ( -0.261 -1.419 -2.135) 2.577 1.063 ( -0.075 0.405 0.118) 0.429 1.081 ( -1.432 -2.370 1.040) 2.958 1.090 ( 0.283 0.540 -0.724) 0.946 1.111 ( 0.920 -0.904 1.138) 1.720 1.128 ( 0.281 1.012 0.242) 1.078 1.136 ( -0.385 0.255 0.029) 0.463 1.151 ( -0.078 0.255 -0.162) 0.312 1.163 ( 0.944 0.626 1.248) 1.685 1.176 ( 0.211 -0.038 -0.856) 0.883 1.193 ( 0.444 2.250 -1.159) 2.570 1.209 ( -0.897 1.459 0.456) 1.772 1.262 ( 0.601 1.406 -2.037) 2.547 1.269 ( -0.340 -0.428 -0.196) 0.580 1.305 ( -1.044 -1.181 1.869) 2.445 1.312 ( -0.561 -0.518 0.167) 0.782 1.330 ( -0.901 0.253 0.256) 0.971 1.348 ( 0.618 0.820 1.634) 1.930 1.356 ( -0.805 1.502 1.468) 2.249 1.376 ( 0.455 1.928 0.441) 2.029 1.405 ( 1.100 -1.501 0.916) 2.074 1.410 ( 0.089 1.713 -0.443) 1.772 1.428 ( -1.700 -0.099 2.112) 2.712 1.444 ( -0.924 -0.375 0.298) 1.041 1.514 ( -0.981 0.136 -0.374) 1.059 1.525 ( 1.177 -1.005 -2.840) 3.234 1.539 ( -0.237 -1.837 0.755) 2.000 1.559 ( 0.499 -0.683 -2.145) 2.306 1.567 ( -0.705 -0.582 1.231) 1.533 1.591 ( -0.353 0.060 -0.618) 0.714 1.620 ( 2.045 0.749 -1.303) 2.538 1.636 ( -0.623 0.303 0.035) 0.693 1.654 ( -3.159 -0.374 -0.758) 3.270 1.679 ( -0.360 0.398 -1.874) 1.949 1.729 ( 1.749 1.288 0.317) 2.195 1.748 ( -1.526 0.694 0.484) 1.745 1.801 ( 0.502 1.352 2.008) 2.472 1.821 ( -0.428 1.924 -0.900) 2.167 1.844 ( 0.942 2.910 1.402) 3.364 1.893 ( 0.469 0.205 0.474) 0.698 1.930 ( -0.894 -1.429 -0.624) 1.798 1.933 ( -1.892 -3.567 -2.576) 4.789 2.043 ( -1.365 0.383 5.948) 6.115 2.071 ( -1.075 0.893 2.067) 2.495 2.082 ( 0.551 1.740 1.261) 2.219 2.132 ( -1.903 -0.232 2.542) 3.184 2.175 ( 1.913 0.832 -1.657) 2.664 2.215 ( -0.489 0.317 -3.006) 3.062 2.237 ( 0.871 -1.172 -0.526) 1.552 2.249 ( 0.106 -1.840 -0.711) 1.976 2.312 ( 0.609 -1.557 2.611) 3.100 2.322 ( 0.999 -2.137 1.640) 2.873 2.427 ( 0.290 -0.525 0.038) 0.601 2.453 ( 0.273 1.641 -0.554) 1.753 2.472 ( 0.392 -0.216 1.237) 1.316 2.495 ( 0.932 1.032 -2.105) 2.523 2.556 ( 1.430 -1.665 -0.064) 2.196 2.572 ( -0.911 -1.426 -0.168) 1.701 2.714 ( 2.331 0.799 0.180) 2.471 2.724 ( 1.474 0.810 1.024) 1.969 2.765 ( 1.114 0.523 0.423) 1.301 2.783 ( 1.738 0.347 -0.817) 1.952 2.796 ( -0.877 -0.171 -1.119) 1.432 2.818 ( -0.477 -0.655 -1.211) 1.457 2.826 ( -1.312 -0.355 -1.079) 1.736 2.833 ( -0.723 -0.644 -1.661) 1.923 2.982 ( -1.217 1.338 0.690) 1.936 2.996 ( 0.647 0.987 -1.487) 1.899 3.127 ( -0.973 -0.478 1.656) 1.979 3.178 ( 0.938 -2.327 -1.516) 2.931 3.508 ( 0.336 1.407 1.329) 1.964 3.529 ( 0.030 2.037 1.817) 2.729 3.606 ( -1.163 -2.738 -2.064) 3.620 3.647 ( -1.549 -2.489 -3.903) 4.881 3.795 ( 1.418 3.852 0.259) 4.112 3.849 ( -0.933 3.195 -0.360) 3.348 3.875 ( -1.581 1.007 2.511) 3.133 3.914 ( 1.676 0.269 -1.930) 2.571 3.954 ( -1.372 -0.381 1.450) 2.032 3.986 ( 1.112 0.866 -2.596) 2.954 4.109 ( 1.259 -5.169 1.544) 5.539 4.132 ( 0.016 -4.967 1.334) 5.143 4.459 ( -1.091 4.663 1.170) 4.930 4.487 ( -0.109 4.513 -1.518) 4.763 4.618 ( -0.052 -1.140 1.427) 1.827 4.687 ( 0.448 -2.458 -2.450) 3.500 4.810 ( -1.098 8.185 2.089) 8.518 4.897 ( 2.744 6.765 -6.132) 9.534 5.431 ( 0.167 -6.731 2.393) 7.146 5.481 ( 1.407 -4.577 -1.642) 5.062 5.577 ( -0.924 -3.634 2.549) 4.534 5.622 ( -0.345 -1.878 1.413) 2.376 5.655 ( -0.623 -0.129 -0.824) 1.040 5.690 ( -1.883 -1.466 0.195) 2.394 5.736 ( -1.355 -0.996 3.187) 3.604 5.745 ( -1.577 -0.769 2.486) 3.043 5.782 ( 1.810 1.213 -1.587) 2.696 5.828 ( 0.517 -1.196 -2.232) 2.585 6.048 ( -1.505 1.461 6.730) 7.049 6.100 ( -3.575 0.149 5.372) 6.454 6.191 ( 3.700 1.739 -5.699) 7.014 6.237 ( 3.170 0.345 -6.700) 7.420 6.403 ( -0.566 -0.945 -0.128) 1.109 6.421 ( 1.231 -1.463 -1.426) 2.385 6.469 ( 1.493 0.424 0.245) 1.571 6.493 ( -0.336 -0.012 -0.321) 0.465 6.573 ( 0.263 0.575 1.608) 1.728 6.594 ( -0.115 4.343 -0.847) 4.426 6.656 ( 2.650 1.435 2.275) 3.776 6.712 ( -2.161 2.086 -2.100) 3.665 6.748 ( 0.274 1.928 0.147) 1.953 6.828 ( -1.383 -3.063 -2.155) 3.993 6.870 ( -1.514 -1.768 -0.943) 2.511 6.879 ( -0.110 -1.573 -1.448) 2.141 7.201 ( 2.412 1.810 2.092) 3.670 7.319 ( -3.705 -1.480 -0.753) 4.060 7.359 ( 1.774 0.492 0.214) 1.854 7.393 ( 1.111 -1.150 0.024) 1.599 7.492 ( 0.002 -0.036 -0.175) 0.178 7.522 ( -3.232 -0.674 0.844) 3.408 7.726 ( -0.625 0.399 1.201) 1.411 7.744 ( 1.131 -0.704 -1.124) 1.743 7.905 ( -0.790 1.788 1.547) 2.493 7.927 ( 0.996 1.142 -1.285) 1.987 8.159 ( -0.634 -0.039 1.697) 1.812 8.174 ( 0.797 -0.465 -0.326) 0.979 8.746 ( -0.624 3.445 1.005) 3.643 8.772 ( 0.594 3.056 -1.148) 3.318 8.977 ( -0.611 -3.416 1.148) 3.655 9.002 ( -0.992 -3.435 -0.170) 3.579 9.273 ( 1.712 -0.176 0.780) 1.890 9.310 ( 0.606 -1.245 2.001) 2.433 9.358 ( 1.174 0.755 -1.308) 1.913 9.410 ( 0.291 0.136 -1.727) 1.757 9.457 ( 1.542 0.801 1.301) 2.170 9.500 ( 0.563 -0.166 1.679) 1.779 9.595 ( -1.700 -1.730 -1.082) 2.656 9.634 ( -1.043 -2.562 -2.631) 3.818 9.777 ( -2.488 1.151 2.589) 3.771 9.804 ( -2.149 -0.066 2.180) 3.061 9.843 ( 0.637 1.970 -2.316) 3.106 9.874 ( 1.607 0.780 -3.207) 3.671 10.526 ( -0.248 0.291 0.206) 0.434 10.531 ( -0.134 0.229 -0.057) 0.272 10.575 ( 0.689 -1.127 -0.148) 1.329 10.582 ( 0.036 -1.470 -0.074) 1.472 10.757 ( -0.636 2.666 1.527) 3.137 10.788 ( 0.203 3.421 -0.859) 3.533 10.866 ( -0.636 -1.527 1.615) 2.312 10.902 ( 0.615 -1.371 -1.353) 2.022 ======================= Grid point 58 (33/39) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -4.821 2.647 4.476) 7.091 0.521 ( -0.715 1.747 -0.640) 1.993 0.629 ( -3.434 3.374 -0.626) 4.855 0.682 ( 0.702 -1.452 1.337) 2.095 0.693 ( 1.383 -3.957 -0.713) 4.252 0.747 ( 3.678 0.710 -1.723) 4.123 0.812 ( -0.555 0.431 0.791) 1.057 0.818 ( 0.061 -1.853 -0.412) 1.900 0.834 ( -4.026 -0.158 0.552) 4.067 0.858 ( 0.140 -0.793 1.436) 1.646 0.869 ( 0.369 -0.441 -0.681) 0.891 0.896 ( 1.759 -0.430 0.068) 1.812 0.925 ( 0.337 -0.129 0.500) 0.617 0.945 ( 0.728 0.080 -0.326) 0.801 0.968 ( 0.652 -1.159 -0.016) 1.330 0.979 ( 0.420 -0.027 0.049) 0.424 0.986 ( -0.033 -0.335 -1.066) 1.118 1.010 ( 1.077 0.709 -1.040) 1.657 1.041 ( -0.759 0.054 2.141) 2.272 1.046 ( -0.768 1.386 0.435) 1.643 1.075 ( -1.220 -0.621 0.086) 1.372 1.101 ( -0.525 -1.356 1.265) 1.928 1.114 ( -1.371 -0.914 -0.151) 1.655 1.131 ( 1.807 0.060 -0.876) 2.009 1.141 ( -0.522 1.363 0.203) 1.473 1.144 ( -0.256 0.897 1.068) 1.418 1.165 ( -0.582 1.804 -0.301) 1.919 1.182 ( -1.076 0.836 0.102) 1.367 1.194 ( -0.299 0.075 -1.172) 1.211 1.218 ( 0.619 1.695 0.095) 1.807 1.229 ( -1.810 3.745 0.589) 4.200 1.249 ( -1.122 0.435 0.581) 1.336 1.294 ( -0.965 -0.753 1.075) 1.629 1.314 ( 0.310 -0.665 1.895) 2.032 1.326 ( -1.357 0.330 2.076) 2.501 1.347 ( 1.096 -0.648 0.027) 1.273 1.376 ( 0.234 -0.923 0.665) 1.161 1.391 ( -1.198 -0.113 1.272) 1.752 1.398 ( 0.271 0.563 -1.578) 1.697 1.412 ( -0.722 1.053 0.864) 1.541 1.448 ( 2.175 -0.078 -0.990) 2.391 1.463 ( 2.755 -0.166 -0.749) 2.860 1.495 ( -1.584 -1.465 0.387) 2.192 1.518 ( 0.774 -0.688 -0.201) 1.055 1.541 ( -1.583 -0.994 0.245) 1.885 1.554 ( -2.514 -1.352 -0.901) 2.994 1.561 ( -0.147 -0.716 0.967) 1.213 1.584 ( 1.665 -1.561 -0.566) 2.351 1.594 ( -0.933 0.233 1.100) 1.461 1.615 ( -0.582 0.505 0.720) 1.055 1.654 ( 2.058 1.534 -1.006) 2.757 1.696 ( 3.324 -0.362 -2.073) 3.934 1.731 ( -0.469 0.353 0.689) 0.905 1.768 ( 1.800 1.803 -2.008) 3.244 1.796 ( -1.545 1.832 0.810) 2.529 1.819 ( 1.372 1.348 0.480) 1.983 1.864 ( -2.640 0.866 -0.406) 2.808 1.885 ( 0.701 0.039 1.407) 1.572 1.899 ( -1.101 -2.181 -0.208) 2.451 1.925 ( 1.247 -1.634 0.162) 2.062 2.061 ( -1.420 1.037 1.990) 2.656 2.086 ( 0.144 1.339 0.831) 1.583 2.115 ( -0.462 0.595 4.028) 4.098 2.122 ( -1.657 0.733 2.547) 3.126 2.185 ( 1.467 0.404 -3.290) 3.625 2.194 ( 2.431 0.777 -2.736) 3.742 2.244 ( 0.649 -1.745 -1.041) 2.133 2.249 ( 1.054 -0.985 -0.860) 1.679 2.339 ( -0.445 -1.416 0.820) 1.696 2.358 ( 0.755 -1.689 0.200) 1.860 2.412 ( -1.217 -0.303 0.314) 1.293 2.454 ( 1.643 -1.287 -2.252) 3.070 2.480 ( -0.563 0.761 0.133) 0.955 2.490 ( 0.274 1.027 -0.882) 1.381 2.541 ( -2.201 -1.484 0.894) 2.801 2.582 ( 1.267 -1.353 -0.675) 1.973 2.719 ( -2.691 1.194 0.227) 2.953 2.760 ( -0.314 0.466 -0.884) 1.048 2.772 ( -0.247 -0.356 -1.785) 1.837 2.774 ( 1.839 -0.299 -0.208) 1.874 2.791 ( -0.549 -0.081 -1.174) 1.298 2.800 ( 0.135 -0.062 0.339) 0.370 2.814 ( 0.886 0.099 0.128) 0.901 2.817 ( 0.840 -0.567 0.016) 1.014 2.971 ( -0.683 1.531 0.882) 1.894 3.005 ( 1.671 0.629 -1.336) 2.230 3.137 ( -0.622 -1.316 2.371) 2.782 3.169 ( 0.480 -2.101 -2.205) 3.083 3.526 ( -2.406 0.216 1.789) 3.006 3.547 ( -0.247 -1.005 2.414) 2.627 3.585 ( 1.380 -0.254 -1.624) 2.146 3.594 ( 1.555 -0.463 -2.257) 2.780 3.810 ( -1.758 4.341 -1.058) 4.801 3.837 ( 1.934 3.595 0.764) 4.153 3.870 ( -1.669 1.325 2.304) 3.138 3.923 ( 1.473 0.561 -2.143) 2.660 3.943 ( -1.539 -0.566 1.603) 2.293 3.986 ( 1.258 0.787 -1.744) 2.290 4.130 ( -0.567 -5.513 -0.075) 5.543 4.148 ( 1.322 -5.001 -0.194) 5.177 4.461 ( -0.090 4.449 1.083) 4.580 4.483 ( 1.296 4.422 -1.134) 4.746 4.642 ( 0.283 -1.268 1.909) 2.309 4.659 ( -0.096 -1.991 -2.703) 3.359 4.813 ( -1.056 8.286 2.211) 8.640 4.883 ( 2.746 7.144 -5.595) 9.480 5.444 ( -1.446 -6.913 1.669) 7.257 5.484 ( 1.161 -4.012 -2.142) 4.694 5.599 ( -0.661 -1.914 2.958) 3.584 5.615 ( -0.452 -3.086 -0.250) 3.129 5.655 ( 0.688 -2.160 1.597) 2.773 5.667 ( 0.026 -2.370 -1.433) 2.770 5.737 ( -1.969 0.732 2.435) 3.215 5.766 ( -0.739 -1.380 4.051) 4.343 5.793 ( 1.577 1.041 -1.775) 2.592 5.810 ( 0.820 0.258 -2.987) 3.108 6.069 ( -3.753 0.767 6.184) 7.274 6.097 ( -3.374 -0.053 6.172) 7.034 6.186 ( 2.399 1.782 -6.311) 6.983 6.228 ( 3.721 0.614 -6.678) 7.669 6.387 ( -1.331 -0.494 0.952) 1.709 6.430 ( 1.298 -2.070 -2.132) 3.243 6.479 ( -0.825 0.827 -0.430) 1.245 6.491 ( 0.737 0.022 -0.394) 0.836 6.574 ( -0.506 2.154 0.823) 2.361 6.604 ( 1.543 1.921 -0.854) 2.608 6.680 ( -1.017 2.814 0.017) 2.992 6.686 ( -0.310 2.884 0.444) 2.935 6.765 ( -0.656 0.271 0.497) 0.866 6.789 ( 0.768 -1.282 0.051) 1.496 6.850 ( -0.380 -2.284 -0.678) 2.412 6.879 ( 2.361 -1.966 -0.740) 3.160 7.222 ( -4.350 1.116 -0.158) 4.494 7.286 ( 3.143 -0.625 2.700) 4.191 7.376 ( -1.754 -0.375 -1.154) 2.133 7.393 ( 0.458 -0.421 -0.245) 0.668 7.478 ( -1.838 -0.373 1.221) 2.238 7.530 ( 3.050 -1.646 0.204) 3.472 7.721 ( -1.200 0.488 1.101) 1.700 7.750 ( 0.642 -0.280 -1.045) 1.258 7.902 ( -1.062 2.081 1.323) 2.685 7.933 ( 1.018 1.056 -1.258) 1.933 8.157 ( -1.294 0.141 1.378) 1.896 8.181 ( 0.364 -0.632 -0.506) 0.887 8.748 ( -0.366 3.401 1.101) 3.594 8.770 ( 0.618 3.070 -1.300) 3.390 8.975 ( -1.168 -3.332 1.111) 3.702 8.999 ( 0.977 -3.286 0.384) 3.449 9.292 ( -2.011 -1.571 -0.541) 2.609 9.308 ( 0.606 -1.026 0.941) 1.519 9.375 ( -1.100 0.572 -1.858) 2.234 9.390 ( 1.008 0.279 -0.307) 1.090 9.479 ( -2.547 0.804 -0.314) 2.689 9.522 ( 2.814 -0.602 1.726) 3.356 9.568 ( -1.646 -0.480 -0.216) 1.728 9.613 ( 2.348 -2.502 -1.183) 3.630 9.767 ( -1.733 1.078 2.907) 3.552 9.795 ( -1.828 -0.005 3.368) 3.832 9.840 ( 1.991 2.547 -2.700) 4.212 9.885 ( 3.088 0.465 -3.253) 4.510 10.525 ( -0.130 0.233 0.336) 0.429 10.531 ( 0.269 0.228 -0.108) 0.369 10.572 ( -0.908 -1.212 0.035) 1.515 10.582 ( 0.061 -1.177 -0.023) 1.178 10.764 ( -0.316 2.843 1.188) 3.097 10.787 ( 0.953 3.284 -1.095) 3.591 10.874 ( -0.476 -1.460 1.474) 2.128 10.898 ( 0.597 -1.401 -1.479) 2.123 ======================= Grid point 59 (34/39) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -1.486 4.559 6.655) 8.203 0.518 ( -1.548 6.237 5.243) 8.294 0.608 ( 1.629 2.846 -1.826) 3.754 0.661 ( -0.018 -0.934 -1.642) 1.889 0.715 ( -0.201 -2.950 -0.601) 3.017 0.762 ( -1.152 2.566 -2.246) 3.599 0.787 ( -2.121 -0.290 0.992) 2.360 0.793 ( 1.212 -2.242 -1.336) 2.878 0.829 ( 0.463 -1.956 1.287) 2.387 0.874 ( 1.163 0.120 -1.543) 1.936 0.884 ( -0.032 -1.675 2.134) 2.712 0.916 ( -1.931 -0.265 3.057) 3.626 0.938 ( 0.939 -0.915 -0.314) 1.348 0.944 ( -0.289 -0.479 1.533) 1.632 0.957 ( -1.480 -0.922 -0.810) 1.923 0.986 ( 1.232 0.288 0.976) 1.598 1.022 ( 1.108 0.291 1.668) 2.024 1.033 ( -0.657 -0.416 0.037) 0.779 1.038 ( 0.493 1.007 1.818) 2.136 1.053 ( 0.885 0.053 -0.263) 0.925 1.071 ( -0.992 -0.744 -0.407) 1.305 1.091 ( 0.432 0.701 1.650) 1.844 1.110 ( -1.914 0.292 1.420) 2.401 1.128 ( -0.322 0.347 -0.230) 0.526 1.130 ( -0.511 -0.323 -0.710) 0.932 1.149 ( 0.370 0.282 -0.727) 0.863 1.151 ( -0.929 1.864 0.943) 2.286 1.168 ( 0.924 0.802 -0.134) 1.231 1.173 ( -0.422 0.557 2.171) 2.281 1.217 ( 0.570 0.481 0.230) 0.781 1.240 ( -0.802 1.048 1.809) 2.239 1.256 ( 1.382 0.822 -0.588) 1.712 1.288 ( -0.787 0.930 1.369) 1.832 1.317 ( -0.961 -1.181 0.584) 1.631 1.339 ( -1.302 1.829 0.545) 2.310 1.362 ( 1.339 -0.815 -0.547) 1.660 1.371 ( -0.757 0.488 -1.311) 1.591 1.385 ( -1.027 -0.453 -1.294) 1.713 1.393 ( 0.689 0.365 -0.952) 1.230 1.400 ( 0.080 0.557 0.939) 1.095 1.456 ( -1.132 -0.397 -0.121) 1.206 1.470 ( -0.905 0.448 0.664) 1.209 1.479 ( -0.315 -0.842 -2.011) 2.202 1.521 ( -0.215 -0.139 1.267) 1.293 1.528 ( 0.955 -0.504 -0.397) 1.150 1.547 ( 1.341 -1.355 2.670) 3.281 1.571 ( 1.003 0.348 0.392) 1.132 1.598 ( 0.946 0.251 0.451) 1.077 1.634 ( 3.730 -0.317 -1.214) 3.935 1.654 ( 2.285 0.058 1.441) 2.702 1.674 ( 0.030 -0.133 -0.197) 0.240 1.706 ( -0.640 0.143 -0.384) 0.760 1.725 ( 0.751 -0.802 -2.088) 2.360 1.770 ( -2.155 0.655 -0.989) 2.460 1.794 ( -0.100 -0.214 2.592) 2.603 1.805 ( -0.796 2.158 -0.398) 2.334 1.852 ( 0.470 2.133 -0.450) 2.230 1.878 ( -0.603 0.233 -0.647) 0.914 1.920 ( 0.281 -3.803 3.290) 5.036 1.953 ( 1.228 -1.305 0.492) 1.858 2.046 ( -2.178 0.267 1.445) 2.627 2.083 ( -1.787 1.545 1.561) 2.831 2.105 ( -1.753 0.071 1.574) 2.357 2.137 ( -1.748 0.332 3.086) 3.562 2.188 ( 3.624 0.187 -5.189) 6.332 2.214 ( 2.158 1.148 -3.244) 4.062 2.248 ( 1.054 -1.321 -1.119) 2.027 2.268 ( 2.139 -0.636 -0.908) 2.409 2.320 ( -0.447 -1.152 -1.156) 1.692 2.338 ( -0.149 -1.601 -3.067) 3.463 2.413 ( -0.060 0.066 1.200) 1.203 2.447 ( -0.937 0.178 -0.928) 1.331 2.475 ( -0.576 -1.983 -1.190) 2.383 2.477 ( -0.274 2.726 -0.181) 2.746 2.516 ( -1.100 -2.072 1.699) 2.896 2.575 ( -1.103 -0.835 -0.716) 1.558 2.681 ( -0.766 1.385 -0.091) 1.585 2.726 ( -0.505 0.549 -2.574) 2.680 2.744 ( -1.695 0.287 -0.287) 1.743 2.756 ( -0.756 0.049 -1.689) 1.852 2.809 ( 1.334 -0.477 0.980) 1.723 2.821 ( 0.732 0.232 0.359) 0.847 2.839 ( 0.942 -0.749 0.782) 1.435 2.840 ( 0.919 0.152 0.684) 1.156 2.979 ( 0.255 1.716 1.170) 2.093 3.020 ( 1.486 0.789 -1.505) 2.257 3.144 ( -0.891 -1.444 1.585) 2.322 3.162 ( 0.982 -1.257 -1.541) 2.218 3.508 ( -0.568 1.423 0.220) 1.548 3.525 ( -0.624 0.288 -0.335) 0.764 3.617 ( 1.062 -0.174 1.116) 1.551 3.660 ( 3.008 -3.082 2.733) 5.101 3.776 ( -0.693 3.975 -0.134) 4.037 3.861 ( -1.175 2.336 0.719) 2.712 3.868 ( 0.189 0.955 0.723) 1.213 3.922 ( 0.767 0.395 -1.858) 2.049 3.938 ( -0.943 -0.343 2.036) 2.270 3.992 ( 1.106 1.135 -1.252) 2.019 4.107 ( -0.546 -5.541 -1.670) 5.813 4.152 ( 0.261 -5.014 -2.011) 5.409 4.476 ( 0.270 4.307 1.150) 4.466 4.508 ( 2.502 4.613 -1.412) 5.435 4.635 ( 0.040 -1.256 -0.807) 1.494 4.661 ( -0.211 -0.801 0.879) 1.208 4.816 ( -1.492 8.286 2.671) 8.833 4.883 ( 3.384 7.079 -5.150) 9.385 5.424 ( -1.498 -7.150 0.628) 7.333 5.472 ( 0.272 -4.594 -2.622) 5.296 5.588 ( -0.699 -1.538 -0.021) 1.689 5.635 ( -0.055 -2.843 0.538) 2.894 5.656 ( 0.001 -1.375 1.554) 2.075 5.701 ( 1.258 -1.403 2.134) 2.847 5.719 ( -2.331 1.016 1.931) 3.193 5.778 ( -0.917 -1.457 1.542) 2.311 5.806 ( 1.219 -0.801 -1.636) 2.192 5.812 ( 2.623 -0.218 -2.301) 3.496 6.043 ( -5.686 1.372 5.765) 8.212 6.106 ( -3.209 -0.790 6.098) 6.936 6.149 ( 2.032 1.661 -6.386) 6.904 6.232 ( 3.619 -0.182 -5.656) 6.717 6.380 ( 0.025 0.068 0.513) 0.518 6.431 ( 0.678 -1.804 -0.906) 2.130 6.452 ( -0.921 0.530 -0.688) 1.266 6.494 ( -0.136 -1.157 -0.267) 1.195 6.578 ( -0.394 2.799 -0.961) 2.985 6.620 ( 2.182 2.005 -0.609) 3.025 6.632 ( -1.805 3.032 -2.866) 4.546 6.721 ( 1.559 1.810 3.383) 4.141 6.746 ( -0.598 4.311 -1.179) 4.509 6.816 ( -0.532 -1.839 2.715) 3.322 6.864 ( 1.183 -2.381 1.841) 3.233 6.927 ( 2.836 -2.484 -0.765) 3.847 7.176 ( -0.749 0.558 0.639) 1.131 7.284 ( -4.317 -3.302 -0.405) 5.450 7.365 ( -0.220 -1.020 0.641) 1.224 7.378 ( -0.329 -0.644 -0.213) 0.753 7.506 ( 2.170 1.996 2.666) 3.975 7.588 ( 3.035 -0.888 -0.339) 3.181 7.706 ( -1.424 0.326 0.932) 1.733 7.738 ( -0.701 -0.061 -1.259) 1.442 7.897 ( -1.041 1.770 1.294) 2.427 7.935 ( 0.817 0.841 -1.692) 2.059 8.145 ( -1.308 0.140 1.247) 1.813 8.175 ( -0.090 -0.787 -0.862) 1.171 8.753 ( -0.208 3.213 0.779) 3.313 8.769 ( 0.616 3.045 -1.065) 3.284 8.974 ( -0.435 -3.355 1.691) 3.782 9.028 ( 1.492 -3.852 -0.175) 4.134 9.238 ( -2.843 -0.156 -0.018) 2.847 9.317 ( -0.906 -1.264 -2.768) 3.175 9.329 ( -0.545 0.266 0.979) 1.152 9.385 ( -1.175 -1.246 0.085) 1.715 9.447 ( -0.340 2.738 -0.595) 2.823 9.496 ( -1.485 1.411 -2.554) 3.274 9.621 ( 2.225 -2.442 2.246) 3.995 9.649 ( 1.578 -2.732 -0.076) 3.156 9.777 ( -1.091 0.950 3.793) 4.060 9.811 ( -0.888 -0.254 3.977) 4.083 9.862 ( 3.657 2.467 -3.280) 5.497 9.908 ( 2.999 0.502 -3.586) 4.702 10.529 ( 0.207 0.179 0.280) 0.391 10.537 ( 0.311 -0.657 -0.036) 0.728 10.557 ( -0.861 -1.085 0.395) 1.440 10.575 ( -0.640 -0.965 -0.159) 1.169 10.769 ( -0.064 2.787 0.504) 2.833 10.793 ( 0.737 2.916 -1.156) 3.222 10.877 ( -0.671 -1.323 1.174) 1.892 10.895 ( 0.848 -1.231 -1.345) 2.011 ======================= Grid point 60 (35/39) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.351 -4.015 3.183) 5.136 0.592 ( -0.351 4.015 3.183) 5.136 0.666 ( 1.043 -2.259 -1.717) 3.024 0.666 ( 1.043 2.259 -1.717) 3.024 0.738 ( -1.156 -2.307 2.346) 3.487 0.738 ( -1.156 2.307 2.346) 3.487 0.771 ( 0.719 -1.735 -1.056) 2.154 0.771 ( 0.719 1.735 -1.056) 2.154 0.843 ( 1.067 -0.413 0.234) 1.168 0.843 ( 1.067 0.413 0.234) 1.168 0.899 ( -0.580 -0.588 -0.110) 0.833 0.899 ( -0.580 0.588 -0.110) 0.833 0.921 ( 0.024 -1.924 0.827) 2.094 0.921 ( 0.024 1.924 0.827) 2.094 0.938 ( -0.481 -1.571 -0.971) 1.908 0.938 ( -0.481 1.571 -0.971) 1.908 1.025 ( -0.962 -0.590 -1.061) 1.549 1.025 ( -0.962 0.590 -1.061) 1.549 1.050 ( 0.225 -0.761 0.358) 0.870 1.050 ( 0.225 0.761 0.358) 0.870 1.086 ( -0.699 -0.311 0.852) 1.145 1.086 ( -0.699 0.311 0.852) 1.145 1.103 ( 0.610 -0.244 0.006) 0.657 1.103 ( 0.610 0.244 0.006) 0.657 1.148 ( -1.211 -1.191 0.287) 1.722 1.148 ( -1.211 1.191 0.287) 1.722 1.169 ( 1.066 -0.982 -1.132) 1.839 1.169 ( 1.066 0.982 -1.132) 1.839 1.223 ( -1.118 -0.597 2.782) 3.057 1.223 ( -1.118 0.597 2.782) 3.057 1.273 ( 0.793 -0.596 -1.018) 1.422 1.273 ( 0.793 0.596 -1.018) 1.422 1.305 ( 0.657 -0.740 1.476) 1.777 1.305 ( 0.657 0.740 1.476) 1.777 1.339 ( -0.830 -0.764 -1.061) 1.549 1.339 ( -0.830 0.764 -1.061) 1.549 1.381 ( 0.246 -0.395 1.030) 1.131 1.381 ( 0.246 0.395 1.030) 1.131 1.413 ( -1.682 -1.721 0.029) 2.407 1.413 ( -1.682 1.721 0.029) 2.407 1.445 ( 0.616 -0.884 0.247) 1.105 1.445 ( 0.616 0.884 0.247) 1.105 1.511 ( -0.303 -1.481 1.930) 2.451 1.511 ( -0.303 1.481 1.930) 2.451 1.573 ( 1.580 -0.477 0.843) 1.853 1.573 ( 1.580 0.477 0.843) 1.853 1.628 ( -1.024 -2.275 -1.712) 3.026 1.628 ( -1.024 2.275 -1.712) 3.026 1.666 ( 1.019 -1.245 0.781) 1.788 1.666 ( 1.019 1.245 0.781) 1.788 1.682 ( 0.281 -1.716 -0.956) 1.984 1.682 ( 0.281 1.716 -0.956) 1.984 1.720 ( 0.716 -2.080 1.138) 2.477 1.720 ( 0.716 2.080 1.138) 2.477 1.786 ( -0.645 -1.868 -0.463) 2.030 1.786 ( -0.645 1.868 -0.463) 2.030 1.882 ( 0.330 -2.461 1.123) 2.725 1.882 ( 0.330 2.461 1.123) 2.725 1.930 ( 0.124 -2.507 -0.498) 2.559 1.930 ( 0.124 2.507 -0.498) 2.559 2.045 ( -3.115 -1.172 4.219) 5.374 2.045 ( -3.115 1.172 4.219) 5.374 2.112 ( -1.132 -1.922 -0.677) 2.332 2.112 ( -1.132 1.922 -0.677) 2.332 2.208 ( 0.674 -1.400 -1.571) 2.209 2.208 ( 0.674 1.400 -1.571) 2.209 2.246 ( 1.451 -1.785 -3.471) 4.164 2.246 ( 1.451 1.785 -3.471) 4.164 2.309 ( -0.056 -0.241 -0.252) 0.353 2.309 ( -0.056 0.241 -0.252) 0.353 2.412 ( -0.014 -0.390 -0.553) 0.677 2.412 ( -0.014 0.390 -0.553) 0.677 2.486 ( -0.078 -1.949 1.597) 2.521 2.486 ( -0.078 1.949 1.597) 2.521 2.528 ( 0.577 -1.716 -0.914) 2.028 2.528 ( 0.577 1.716 -0.914) 2.028 2.688 ( -0.794 -0.639 -0.212) 1.041 2.688 ( -0.794 0.639 -0.212) 1.041 2.739 ( 0.795 -0.697 -1.269) 1.652 2.739 ( 0.795 0.697 -1.269) 1.652 2.832 ( 0.426 -0.152 0.256) 0.520 2.832 ( 0.426 0.152 0.256) 0.520 2.852 ( 0.144 -0.248 0.195) 0.347 2.852 ( 0.144 0.248 0.195) 0.347 3.027 ( 0.164 -0.921 -0.143) 0.946 3.027 ( 0.164 0.921 -0.143) 0.946 3.145 ( 0.356 -0.818 -0.042) 0.893 3.145 ( 0.356 0.818 -0.042) 0.893 3.557 ( 0.228 -1.070 1.789) 2.097 3.557 ( 0.228 1.070 1.789) 2.097 3.628 ( 0.301 -1.885 -0.945) 2.130 3.628 ( 0.301 1.885 -0.945) 2.130 3.852 ( 0.040 -2.105 1.243) 2.445 3.852 ( 0.040 2.105 1.243) 2.445 3.885 ( -0.735 -2.507 -1.375) 2.952 3.885 ( -0.735 2.507 -1.375) 2.952 3.986 ( -0.194 -3.470 1.619) 3.834 3.986 ( -0.194 3.470 1.619) 3.834 4.034 ( 0.422 -2.619 -2.697) 3.783 4.034 ( 0.422 2.619 -2.697) 3.783 4.571 ( -0.199 -2.398 1.121) 2.654 4.571 ( -0.199 2.398 1.121) 2.654 4.627 ( 0.670 -2.182 -1.675) 2.831 4.627 ( 0.670 2.182 -1.675) 2.831 4.981 ( 0.472 -3.649 -0.487) 3.712 4.981 ( 0.472 3.649 -0.487) 3.712 5.303 ( 0.629 -3.235 -2.135) 3.927 5.303 ( 0.629 3.235 -2.135) 3.927 5.590 ( -0.538 -0.531 0.226) 0.789 5.590 ( -0.538 0.531 0.226) 0.789 5.706 ( -1.809 -0.928 4.428) 4.872 5.706 ( -1.809 0.928 4.428) 4.872 5.734 ( -0.602 -1.152 1.370) 1.889 5.734 ( -0.602 1.152 1.370) 1.889 5.802 ( 1.777 -1.556 -3.989) 4.636 5.802 ( 1.777 1.556 -3.989) 4.636 6.055 ( -4.813 -2.971 7.282) 9.220 6.055 ( -4.813 2.971 7.282) 9.220 6.197 ( 4.371 -2.715 -6.152) 8.020 6.197 ( 4.371 2.715 -6.152) 8.020 6.408 ( 0.740 -0.547 -0.655) 1.130 6.408 ( 0.740 0.547 -0.655) 1.130 6.453 ( 0.256 -0.436 -0.425) 0.661 6.453 ( 0.256 0.436 -0.425) 0.661 6.591 ( -0.659 -0.686 -2.231) 2.425 6.591 ( -0.659 0.686 -2.231) 2.425 6.760 ( 0.894 -1.728 0.679) 2.061 6.760 ( 0.894 1.728 0.679) 2.061 6.811 ( -0.324 -1.604 1.647) 2.322 6.811 ( -0.324 1.604 1.647) 2.322 6.868 ( 0.182 -2.999 -0.660) 3.076 6.868 ( 0.182 2.999 -0.660) 3.076 7.192 ( -0.332 -0.113 0.853) 0.922 7.192 ( -0.332 0.113 0.853) 0.922 7.362 ( 0.106 -0.428 0.389) 0.588 7.362 ( 0.106 0.428 0.389) 0.588 7.595 ( -0.570 -1.337 1.411) 2.026 7.595 ( -0.570 1.337 1.411) 2.026 7.704 ( 0.249 -0.425 -0.703) 0.858 7.704 ( 0.249 0.425 -0.703) 0.858 7.928 ( -0.228 -1.095 0.077) 1.121 7.928 ( -0.228 1.095 0.077) 1.121 8.147 ( -0.248 -0.722 0.089) 0.768 8.147 ( -0.248 0.722 0.089) 0.768 8.816 ( 0.153 -0.775 -0.066) 0.793 8.816 ( 0.153 0.775 -0.066) 0.793 8.945 ( -0.381 -1.543 0.510) 1.670 8.945 ( -0.381 1.543 0.510) 1.670 9.252 ( -0.741 -1.585 0.505) 1.821 9.252 ( -0.741 1.585 0.505) 1.821 9.347 ( 0.900 -0.841 -0.686) 1.410 9.347 ( 0.900 0.841 -0.686) 1.410 9.482 ( -0.241 -0.596 -0.739) 0.980 9.482 ( -0.241 0.596 -0.739) 0.980 9.622 ( 0.399 -0.600 0.005) 0.721 9.622 ( 0.399 0.600 0.005) 0.721 9.813 ( -1.710 -0.914 3.788) 4.256 9.813 ( -1.710 0.914 3.788) 4.256 9.911 ( 1.949 -0.737 -3.890) 4.413 9.911 ( 1.949 0.737 -3.890) 4.413 10.533 ( -0.169 -0.201 0.391) 0.471 10.533 ( -0.169 0.201 0.391) 0.471 10.546 ( 0.147 -0.527 -0.277) 0.613 10.546 ( 0.147 0.527 -0.277) 0.613 10.820 ( -0.778 -1.649 0.673) 1.944 10.820 ( -0.778 1.649 0.673) 1.944 10.863 ( 0.568 -1.703 -0.859) 1.990 10.863 ( 0.568 1.703 -0.859) 1.990 ======================= Grid point 62 (36/39) ======================= q-point: ( 0.20 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.250 -2.961 0.926) 3.113 0.608 ( -0.250 2.961 0.926) 3.113 0.617 ( -2.801 -1.742 -2.253) 3.994 0.617 ( -2.801 1.742 -2.253) 3.994 0.733 ( -0.724 -1.170 0.672) 1.531 0.733 ( -0.724 1.170 0.672) 1.531 0.790 ( 1.310 -1.394 -0.114) 1.916 0.790 ( 1.310 1.394 -0.114) 1.916 0.847 ( -0.056 -1.791 -0.591) 1.887 0.847 ( -0.056 1.791 -0.591) 1.887 0.883 ( -0.407 -0.947 -0.546) 1.166 0.883 ( -0.407 0.947 -0.546) 1.166 0.937 ( 1.146 -0.800 0.255) 1.420 0.937 ( 1.146 0.800 0.255) 1.420 0.957 ( 0.820 -0.915 0.244) 1.252 0.957 ( 0.820 0.915 0.244) 1.252 1.006 ( -0.982 -0.193 2.134) 2.357 1.006 ( -0.982 0.193 2.134) 2.357 1.058 ( -1.889 -0.352 0.758) 2.065 1.058 ( -1.889 0.352 0.758) 2.065 1.066 ( 0.961 -0.211 -0.723) 1.221 1.066 ( 0.961 0.211 -0.723) 1.221 1.127 ( 0.138 -0.299 0.709) 0.782 1.127 ( 0.138 0.299 0.709) 0.782 1.138 ( 0.278 -1.527 0.889) 1.789 1.138 ( 0.278 1.527 0.889) 1.789 1.175 ( 0.252 -1.540 -1.317) 2.042 1.175 ( 0.252 1.540 -1.317) 2.042 1.226 ( -0.618 -0.097 0.898) 1.095 1.226 ( -0.618 0.097 0.898) 1.095 1.274 ( -0.115 -1.625 0.233) 1.646 1.274 ( -0.115 1.625 0.233) 1.646 1.295 ( -0.368 -1.100 -1.572) 1.954 1.295 ( -0.368 1.100 -1.572) 1.954 1.339 ( 0.416 -0.518 1.432) 1.578 1.339 ( 0.416 0.518 1.432) 1.578 1.381 ( -0.429 -1.765 0.557) 1.900 1.381 ( -0.429 1.765 0.557) 1.900 1.412 ( -0.725 -1.878 0.877) 2.196 1.412 ( -0.725 1.878 0.877) 2.196 1.456 ( 0.077 -1.120 -0.605) 1.275 1.456 ( 0.077 1.120 -0.605) 1.275 1.523 ( -0.211 -1.771 0.246) 1.801 1.523 ( -0.211 1.771 0.246) 1.801 1.549 ( -0.652 -0.614 -0.975) 1.324 1.549 ( -0.652 0.614 -0.975) 1.324 1.607 ( -1.919 -1.873 -0.586) 2.745 1.607 ( -1.919 1.873 -0.586) 2.745 1.658 ( -1.098 -0.393 0.880) 1.461 1.658 ( -1.098 0.393 0.880) 1.461 1.686 ( 0.918 -0.449 -2.224) 2.448 1.686 ( 0.918 0.449 -2.224) 2.448 1.741 ( 1.384 -1.843 -0.475) 2.353 1.741 ( 1.384 1.843 -0.475) 2.353 1.802 ( 1.433 -2.388 0.394) 2.813 1.802 ( 1.433 2.388 0.394) 2.813 1.891 ( 0.065 -1.218 -0.392) 1.281 1.891 ( 0.065 1.218 -0.392) 1.281 1.917 ( -0.857 -0.792 -0.371) 1.225 1.917 ( -0.857 0.792 -0.371) 1.225 2.043 ( -2.447 -1.358 5.773) 6.416 2.043 ( -2.447 1.358 5.773) 6.416 2.103 ( -0.210 -1.993 1.016) 2.247 2.103 ( -0.210 1.993 1.016) 2.247 2.196 ( -0.087 -1.386 -0.853) 1.629 2.196 ( -0.087 1.386 -0.853) 1.629 2.240 ( 0.658 -0.544 -1.881) 2.066 2.240 ( 0.658 0.544 -1.881) 2.066 2.288 ( -1.203 -0.588 0.079) 1.342 2.288 ( -1.203 0.588 0.079) 1.342 2.423 ( 1.057 -0.909 0.025) 1.394 2.423 ( 1.057 0.909 0.025) 1.394 2.492 ( 0.313 -1.511 0.179) 1.554 2.492 ( 0.313 1.511 0.179) 1.554 2.541 ( 1.170 -2.171 -1.107) 2.703 2.541 ( 1.170 2.171 -1.107) 2.703 2.693 ( 0.937 -0.488 0.883) 1.377 2.693 ( 0.937 0.488 0.883) 1.377 2.753 ( 1.777 -0.637 -0.850) 2.071 2.753 ( 1.777 0.637 -0.850) 2.071 2.828 ( -0.491 -0.350 -0.859) 1.049 2.828 ( -0.491 0.350 -0.859) 1.049 2.847 ( -0.543 -0.119 -0.351) 0.658 2.847 ( -0.543 0.119 -0.351) 0.658 3.021 ( -0.493 -0.452 -0.316) 0.740 3.021 ( -0.493 0.452 -0.316) 0.740 3.141 ( -0.263 -0.909 -0.552) 1.096 3.141 ( -0.263 0.909 -0.552) 1.096 3.565 ( -0.387 -2.251 -0.246) 2.298 3.565 ( -0.387 2.251 -0.246) 2.298 3.611 ( -0.897 -3.169 -0.744) 3.377 3.611 ( -0.897 3.169 -0.744) 3.377 3.862 ( 0.174 -2.250 -0.247) 2.270 3.862 ( 0.174 2.250 -0.247) 2.270 3.882 ( 0.412 -0.396 1.489) 1.595 3.882 ( 0.412 0.396 1.489) 1.595 3.994 ( -0.577 -3.514 1.035) 3.708 3.994 ( -0.577 3.514 1.035) 3.708 4.023 ( 0.955 -2.096 -1.304) 2.647 4.023 ( 0.955 2.096 -1.304) 2.647 4.561 ( -1.414 -2.459 0.253) 2.848 4.561 ( -1.414 2.459 0.253) 2.848 4.624 ( 0.456 -3.486 -1.077) 3.676 4.624 ( 0.456 3.486 -1.077) 3.676 4.984 ( 0.455 -4.059 -0.746) 4.152 4.984 ( 0.455 4.059 -0.746) 4.152 5.307 ( 1.520 -3.443 -1.040) 3.905 5.307 ( 1.520 3.443 -1.040) 3.905 5.584 ( -0.824 -1.122 0.998) 1.712 5.584 ( -0.824 1.122 0.998) 1.712 5.703 ( -2.078 -1.276 2.157) 3.256 5.703 ( -2.078 1.276 2.157) 3.256 5.729 ( -2.049 -1.437 1.991) 3.198 5.729 ( -2.049 1.437 1.991) 3.198 5.796 ( 1.900 -1.811 -2.881) 3.897 5.796 ( 1.900 1.811 -2.881) 3.897 6.059 ( -2.958 -3.008 7.053) 8.218 6.059 ( -2.958 3.008 7.053) 8.218 6.218 ( 4.736 -2.053 -6.626) 8.399 6.218 ( 4.736 2.053 -6.626) 8.399 6.403 ( 0.006 -0.858 -0.976) 1.300 6.403 ( 0.006 0.858 -0.976) 1.300 6.464 ( 1.213 -1.310 -0.684) 1.912 6.464 ( 1.213 1.310 -0.684) 1.912 6.586 ( 0.565 -0.753 1.366) 1.659 6.586 ( 0.565 0.753 1.366) 1.659 6.751 ( -0.983 -3.474 -1.523) 3.919 6.751 ( -0.983 3.474 -1.523) 3.919 6.803 ( -1.556 -1.519 0.705) 2.286 6.803 ( -1.556 1.519 0.705) 2.286 6.865 ( -0.032 -0.263 -0.676) 0.726 6.865 ( -0.032 0.263 -0.676) 0.726 7.215 ( 1.864 -3.059 0.625) 3.636 7.215 ( 1.864 3.059 0.625) 3.636 7.370 ( 0.555 -0.234 -0.309) 0.677 7.370 ( 0.555 0.234 -0.309) 0.677 7.560 ( -3.503 -0.669 0.655) 3.626 7.560 ( -3.503 0.669 0.655) 3.626 7.719 ( 1.193 -0.218 -0.155) 1.223 7.719 ( 1.193 0.218 -0.155) 1.223 7.929 ( 0.042 -0.822 0.384) 0.908 7.929 ( 0.042 0.822 0.384) 0.908 8.151 ( 0.297 -0.495 0.478) 0.750 8.151 ( 0.297 0.495 0.478) 0.750 8.817 ( 0.173 -1.105 -0.228) 1.141 8.817 ( 0.173 1.105 -0.228) 1.141 8.938 ( -0.938 -1.512 0.644) 1.893 8.938 ( -0.938 1.512 0.644) 1.893 9.258 ( 0.617 -0.723 0.962) 1.353 9.258 ( 0.617 0.723 0.962) 1.353 9.366 ( 1.930 -0.637 -1.273) 2.399 9.366 ( 1.930 0.637 -1.273) 2.399 9.477 ( -0.078 -0.421 0.470) 0.636 9.477 ( -0.078 0.421 0.470) 0.636 9.617 ( -0.532 -0.915 -0.804) 1.329 9.617 ( -0.532 0.915 -0.804) 1.329 9.812 ( -2.486 -0.649 3.328) 4.204 9.812 ( -2.486 0.649 3.328) 4.204 9.893 ( 0.736 -0.775 -3.657) 3.810 9.893 ( 0.736 0.775 -3.657) 3.810 10.537 ( 0.200 -0.616 0.231) 0.688 10.537 ( 0.200 0.616 0.231) 0.688 10.549 ( 0.359 -0.477 -0.227) 0.639 10.549 ( 0.359 0.477 -0.227) 0.639 10.815 ( -0.882 -2.251 1.311) 2.750 10.815 ( -0.882 2.251 1.311) 2.750 10.863 ( 0.396 -2.252 -0.909) 2.460 10.863 ( 0.396 2.252 -0.909) 2.460 ======================= Grid point 64 (37/39) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -2.140 -1.872 -1.168) 3.073 0.541 ( -2.140 1.872 -1.168) 3.073 0.627 ( 1.174 -3.415 -0.592) 3.659 0.627 ( 1.174 3.415 -0.592) 3.659 0.722 ( -1.049 -1.147 1.176) 1.949 0.722 ( -1.049 1.147 1.176) 1.949 0.814 ( 0.729 -0.811 0.493) 1.196 0.814 ( 0.729 0.811 0.493) 1.196 0.850 ( 0.030 -1.320 0.153) 1.329 0.850 ( 0.030 1.320 0.153) 1.329 0.866 ( 0.419 -0.920 -1.254) 1.611 0.866 ( 0.419 0.920 -1.254) 1.611 0.931 ( -2.190 -1.833 0.215) 2.864 0.931 ( -2.190 1.833 0.215) 2.864 0.964 ( 0.656 -1.026 -0.182) 1.231 0.964 ( 0.656 1.026 -0.182) 1.231 1.011 ( -1.190 -0.771 0.598) 1.539 1.011 ( -1.190 0.771 0.598) 1.539 1.045 ( -0.042 -0.655 0.708) 0.966 1.045 ( -0.042 0.655 0.708) 0.966 1.081 ( 1.126 -1.465 -0.246) 1.864 1.081 ( 1.126 1.465 -0.246) 1.864 1.131 ( -1.714 -1.728 -0.869) 2.584 1.131 ( -1.714 1.728 -0.869) 2.584 1.143 ( 0.758 -0.918 0.278) 1.223 1.143 ( 0.758 0.918 0.278) 1.223 1.166 ( 0.917 -0.438 1.418) 1.745 1.166 ( 0.917 0.438 1.418) 1.745 1.231 ( 0.166 -0.175 0.239) 0.340 1.231 ( 0.166 0.175 0.239) 0.340 1.275 ( -0.629 -1.106 0.494) 1.365 1.275 ( -0.629 1.106 0.494) 1.365 1.288 ( 0.312 -1.488 -0.402) 1.572 1.288 ( 0.312 1.488 -0.402) 1.572 1.345 ( -2.026 -1.099 -0.679) 2.403 1.345 ( -2.026 1.099 -0.679) 2.403 1.384 ( -0.322 -0.881 0.427) 1.031 1.384 ( -0.322 0.881 0.427) 1.031 1.400 ( 1.527 -1.169 1.818) 2.646 1.400 ( 1.527 1.169 1.818) 2.646 1.454 ( -0.627 -0.725 0.219) 0.983 1.454 ( -0.627 0.725 0.219) 0.983 1.500 ( -1.379 -0.315 0.274) 1.440 1.500 ( -1.379 0.315 0.274) 1.440 1.544 ( 0.228 -0.670 -2.136) 2.250 1.544 ( 0.228 0.670 -2.136) 2.250 1.576 ( -0.824 -1.219 -0.647) 1.608 1.576 ( -0.824 1.219 -0.647) 1.608 1.633 ( -1.593 -0.503 1.069) 1.984 1.633 ( -1.593 0.503 1.069) 1.984 1.673 ( 0.775 -1.212 -2.636) 3.003 1.673 ( 0.775 1.212 -2.636) 3.003 1.771 ( 0.601 -1.159 0.850) 1.557 1.771 ( 0.601 1.159 0.850) 1.557 1.818 ( 1.491 -2.488 -1.317) 3.186 1.818 ( 1.491 2.488 -1.317) 3.186 1.869 ( -1.244 -1.670 -1.913) 2.827 1.869 ( -1.244 1.670 -1.913) 2.827 1.910 ( 0.077 -1.036 0.761) 1.288 1.910 ( 0.077 1.036 0.761) 1.288 2.069 ( -1.296 -1.244 4.796) 5.122 2.069 ( -1.296 1.244 4.796) 5.122 2.114 ( -0.879 -1.205 2.764) 3.140 2.114 ( -0.879 1.205 2.764) 3.140 2.196 ( 0.748 -1.390 -0.711) 1.731 2.196 ( 0.748 1.390 -0.711) 1.731 2.226 ( 0.221 -0.826 -1.813) 2.004 2.226 ( 0.221 0.826 -1.813) 2.004 2.294 ( 0.694 -0.277 1.975) 2.112 2.294 ( 0.694 0.277 1.975) 2.112 2.436 ( 0.416 -1.296 -0.934) 1.651 2.436 ( 0.416 1.296 -0.934) 1.651 2.506 ( 1.466 -1.701 -1.055) 2.481 2.506 ( 1.466 1.701 -1.055) 2.481 2.538 ( -0.439 -1.387 -0.097) 1.458 2.538 ( -0.439 1.387 -0.097) 1.458 2.731 ( 1.685 -0.401 0.898) 1.951 2.731 ( 1.685 0.401 0.898) 1.951 2.780 ( 1.723 -0.530 -0.351) 1.837 2.780 ( 1.723 0.530 -0.351) 1.837 2.799 ( -1.208 -0.702 -1.573) 2.104 2.799 ( -1.208 0.702 -1.573) 2.104 2.824 ( -1.106 -0.170 -0.845) 1.402 2.824 ( -1.106 0.170 -0.845) 1.402 3.008 ( -0.473 -0.513 -0.182) 0.722 3.008 ( -0.473 0.513 -0.182) 0.722 3.131 ( -0.040 -1.422 -0.556) 1.527 3.131 ( -0.040 1.422 -0.556) 1.527 3.550 ( -0.940 -2.362 0.143) 2.546 3.550 ( -0.940 2.362 0.143) 2.546 3.585 ( -0.179 -2.963 -1.597) 3.371 3.585 ( -0.179 2.963 -1.597) 3.371 3.868 ( 0.148 -1.871 0.345) 1.908 3.868 ( 0.148 1.871 0.345) 1.908 3.903 ( 0.196 -1.484 1.311) 1.990 3.903 ( 0.196 1.484 1.311) 1.990 3.997 ( 0.070 -3.700 0.274) 3.711 3.997 ( 0.070 3.700 0.274) 3.711 4.032 ( 0.729 -2.904 -0.219) 3.002 4.032 ( 0.729 2.904 -0.219) 3.002 4.540 ( -0.676 -1.801 -0.067) 1.925 4.540 ( -0.676 1.801 -0.067) 1.925 4.619 ( 0.247 -2.934 -0.865) 3.069 4.619 ( 0.247 2.934 -0.865) 3.069 4.982 ( 0.321 -3.720 -0.960) 3.855 4.982 ( 0.321 3.720 -0.960) 3.855 5.328 ( 1.366 -3.070 -0.500) 3.397 5.328 ( 1.366 3.070 -0.500) 3.397 5.586 ( -0.593 -1.889 2.046) 2.847 5.586 ( -0.593 1.889 2.046) 2.847 5.665 ( -1.428 -0.808 -1.958) 2.554 5.665 ( -1.428 0.808 -1.958) 2.554 5.732 ( -1.835 -0.605 4.637) 5.023 5.732 ( -1.835 0.605 4.637) 5.023 5.806 ( 1.752 -0.990 -2.099) 2.908 5.806 ( 1.752 0.990 -2.099) 2.908 6.082 ( -2.956 -1.527 6.831) 7.598 6.082 ( -2.956 1.527 6.831) 7.598 6.225 ( 3.856 -1.211 -6.703) 7.827 6.225 ( 3.856 1.211 -6.703) 7.827 6.396 ( 0.237 -0.551 -0.924) 1.102 6.396 ( 0.237 0.551 -0.924) 1.102 6.480 ( 0.923 -0.691 -0.254) 1.180 6.480 ( 0.923 0.691 -0.254) 1.180 6.617 ( 0.341 -2.305 1.670) 2.867 6.617 ( 0.341 2.305 1.670) 2.867 6.718 ( -0.089 -3.789 -1.632) 4.127 6.718 ( -0.089 3.789 -1.632) 4.127 6.786 ( -0.737 -1.190 0.719) 1.573 6.786 ( -0.737 1.190 0.719) 1.573 6.839 ( -1.185 -1.129 -1.814) 2.443 6.839 ( -1.185 1.129 -1.814) 2.443 7.259 ( 1.385 -3.324 0.611) 3.653 7.259 ( 1.385 3.324 0.611) 3.653 7.375 ( 0.481 -0.735 -0.144) 0.890 7.375 ( 0.481 0.735 -0.144) 0.890 7.503 ( -2.616 -0.900 0.070) 2.768 7.503 ( -2.616 0.900 0.070) 2.768 7.733 ( 0.416 -0.375 0.080) 0.566 7.733 ( 0.416 0.375 0.080) 0.566 7.935 ( 0.053 -0.637 0.439) 0.775 7.935 ( 0.053 0.637 0.439) 0.775 8.162 ( 0.182 -0.438 0.597) 0.763 8.162 ( 0.182 0.438 0.597) 0.763 8.818 ( 0.175 -1.303 -0.190) 1.328 8.818 ( 0.175 1.303 -0.190) 1.328 8.927 ( -0.878 -1.314 0.682) 1.721 8.927 ( -0.878 1.314 0.682) 1.721 9.284 ( 0.784 -0.995 0.569) 1.389 9.284 ( 0.784 0.995 0.569) 1.389 9.386 ( 1.536 -1.592 -1.060) 2.453 9.386 ( 1.536 1.592 -1.060) 2.453 9.486 ( -0.144 -1.228 1.414) 1.878 9.486 ( -0.144 1.228 1.414) 1.878 9.589 ( -0.795 -1.154 -1.663) 2.175 9.589 ( -0.795 1.154 -1.663) 2.175 9.797 ( -2.602 -0.648 2.981) 4.010 9.797 ( -2.602 0.648 2.981) 4.010 9.874 ( 1.530 -0.857 -3.319) 3.754 9.874 ( 1.530 0.857 -3.319) 3.754 10.543 ( 0.107 -1.038 0.136) 1.052 10.543 ( 0.107 1.038 0.136) 1.052 10.552 ( 0.225 -0.700 -0.192) 0.760 10.552 ( 0.225 0.700 -0.192) 0.760 10.818 ( -0.585 -2.605 1.715) 3.173 10.818 ( -0.585 2.605 1.715) 3.173 10.858 ( 0.368 -2.607 -1.159) 2.876 10.858 ( 0.368 2.607 -1.159) 2.876 ======================= Grid point 66 (38/39) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -1.247 -3.570 1.997) 4.276 0.515 ( -1.247 3.570 1.997) 4.276 0.636 ( 1.682 -0.950 -2.087) 2.844 0.636 ( 1.682 0.950 -2.087) 2.844 0.721 ( -1.553 -3.492 2.017) 4.321 0.721 ( -1.553 3.492 2.017) 4.321 0.811 ( -0.841 -1.264 0.225) 1.534 0.811 ( -0.841 1.264 0.225) 1.534 0.839 ( -1.302 -0.727 0.597) 1.606 0.839 ( -1.302 0.727 0.597) 1.606 0.878 ( 1.683 -1.200 -1.418) 2.507 0.878 ( 1.683 1.200 -1.418) 2.507 0.928 ( 0.213 -0.939 2.216) 2.416 0.928 ( 0.213 0.939 2.216) 2.416 0.960 ( 1.250 -0.491 -2.231) 2.604 0.960 ( 1.250 0.491 -2.231) 2.604 1.006 ( -0.039 -1.125 0.862) 1.418 1.006 ( -0.039 1.125 0.862) 1.418 1.052 ( 0.745 -1.043 0.382) 1.338 1.052 ( 0.745 1.043 0.382) 1.338 1.082 ( -1.581 -1.062 -0.197) 1.915 1.082 ( -1.581 1.062 -0.197) 1.915 1.109 ( 0.352 -1.132 -0.451) 1.268 1.109 ( 0.352 1.132 -0.451) 1.268 1.158 ( 0.119 -0.288 0.527) 0.612 1.158 ( 0.119 0.288 0.527) 0.612 1.187 ( -0.666 -0.166 -0.316) 0.756 1.187 ( -0.666 0.166 -0.316) 0.756 1.222 ( -1.008 -1.381 0.601) 1.812 1.222 ( -1.008 1.381 0.601) 1.812 1.267 ( -1.005 -1.314 1.197) 2.042 1.267 ( -1.005 1.314 1.197) 2.042 1.296 ( 0.997 -1.821 -0.647) 2.175 1.296 ( 0.997 1.821 -0.647) 2.175 1.325 ( 1.044 -1.047 0.671) 1.623 1.325 ( 1.044 1.047 0.671) 1.623 1.386 ( 0.217 -0.228 0.509) 0.599 1.386 ( 0.217 0.228 0.509) 0.599 1.423 ( -1.996 -1.839 -0.049) 2.714 1.423 ( -1.996 1.839 -0.049) 2.714 1.460 ( 1.829 -0.215 0.218) 1.854 1.460 ( 1.829 0.215 0.218) 1.854 1.484 ( -0.957 -1.593 1.352) 2.298 1.484 ( -0.957 1.593 1.352) 2.298 1.533 ( -1.717 -0.470 -0.347) 1.813 1.533 ( -1.717 0.470 -0.347) 1.813 1.557 ( 1.759 -0.612 -0.131) 1.867 1.557 ( 1.759 0.612 -0.131) 1.867 1.611 ( -1.765 -0.888 1.182) 2.302 1.611 ( -1.765 0.888 1.182) 2.302 1.684 ( 2.389 -0.983 -1.836) 3.169 1.684 ( 2.389 0.983 -1.836) 3.169 1.780 ( -0.767 -4.152 1.377) 4.441 1.780 ( -0.767 4.152 1.377) 4.441 1.808 ( -0.859 -1.447 -2.198) 2.768 1.808 ( -0.859 1.447 -2.198) 2.768 1.852 ( 0.978 -1.348 -0.006) 1.665 1.852 ( 0.978 1.348 -0.006) 1.665 1.916 ( -0.035 -0.832 0.129) 0.843 1.916 ( -0.035 0.832 0.129) 0.843 2.082 ( -1.802 -0.893 2.669) 3.342 2.082 ( -1.802 0.893 2.669) 3.342 2.135 ( -0.564 -0.592 3.305) 3.404 2.135 ( -0.564 0.592 3.305) 3.404 2.197 ( 1.426 -1.098 -2.418) 3.014 2.197 ( 1.426 1.098 -2.418) 3.014 2.223 ( 1.533 -1.086 -1.553) 2.437 2.223 ( 1.533 1.086 -1.553) 2.437 2.329 ( 0.419 -0.580 0.586) 0.925 2.329 ( 0.419 0.580 0.586) 0.925 2.421 ( 0.249 -1.244 -1.479) 1.949 2.421 ( 0.249 1.244 -1.479) 1.949 2.500 ( -1.180 -1.124 -0.672) 1.763 2.500 ( -1.180 1.124 -0.672) 1.763 2.542 ( 0.541 -2.088 0.055) 2.158 2.542 ( 0.541 2.088 0.055) 2.158 2.749 ( -1.421 -1.488 -0.049) 2.058 2.749 ( -1.421 1.488 -0.049) 2.058 2.769 ( 0.457 -0.207 -0.805) 0.948 2.769 ( 0.457 0.207 -0.805) 0.948 2.795 ( -0.059 -0.330 -0.826) 0.892 2.795 ( -0.059 0.330 -0.826) 0.892 2.812 ( 1.183 -0.189 0.418) 1.269 2.812 ( 1.183 0.189 0.418) 1.269 3.006 ( 0.403 -1.118 0.073) 1.190 3.006 ( 0.403 1.118 0.073) 1.190 3.127 ( 0.092 -1.070 -0.245) 1.102 3.127 ( 0.092 1.070 -0.245) 1.102 3.533 ( -1.568 -0.392 1.383) 2.127 3.533 ( -1.568 0.392 1.383) 2.127 3.586 ( 1.874 -0.245 -1.364) 2.331 3.586 ( 1.874 0.245 -1.364) 2.331 3.866 ( -0.901 -0.609 0.648) 1.266 3.866 ( -0.901 0.609 0.648) 1.266 3.918 ( 0.435 -1.550 0.052) 1.611 3.918 ( 0.435 1.550 0.052) 1.611 3.992 ( -0.778 -4.400 -0.024) 4.468 3.992 ( -0.778 4.400 -0.024) 4.468 4.046 ( 1.295 -2.971 -0.885) 3.360 4.046 ( 1.295 2.971 -0.885) 3.360 4.537 ( 0.246 -1.108 0.133) 1.143 4.537 ( 0.246 1.108 0.133) 1.143 4.620 ( 0.879 -0.743 -0.862) 1.438 4.620 ( 0.879 0.743 -0.862) 1.438 4.978 ( 0.293 -3.106 -0.730) 3.204 4.978 ( 0.293 3.106 -0.730) 3.204 5.339 ( 0.697 -3.080 -1.337) 3.429 5.339 ( 0.697 3.080 -1.337) 3.429 5.608 ( -0.041 -1.448 2.659) 3.028 5.608 ( -0.041 1.448 2.659) 3.028 5.628 ( -0.137 -1.393 -1.366) 1.956 5.628 ( -0.137 1.393 -1.366) 1.956 5.744 ( -1.908 -0.493 3.802) 4.283 5.744 ( -1.908 0.493 3.802) 4.283 5.811 ( 1.512 -0.367 -2.696) 3.113 5.811 ( 1.512 0.367 -2.696) 3.113 6.086 ( -4.335 -0.820 6.660) 7.989 6.086 ( -4.335 0.820 6.660) 7.989 6.222 ( 3.217 -1.219 -6.507) 7.360 6.222 ( 3.217 1.219 -6.507) 7.360 6.391 ( 0.229 -1.146 -0.636) 1.330 6.391 ( 0.229 1.146 -0.636) 1.330 6.486 ( 0.089 -0.179 -0.764) 0.789 6.486 ( 0.089 0.179 -0.764) 0.789 6.625 ( -0.557 -1.224 1.160) 1.776 6.625 ( -0.557 1.224 1.160) 1.776 6.718 ( 1.157 -2.054 -1.659) 2.883 6.718 ( 1.157 2.054 -1.659) 2.883 6.785 ( -0.661 -2.843 0.656) 2.992 6.785 ( -0.661 2.843 0.656) 2.992 6.819 ( 1.407 -3.137 -0.110) 3.440 6.819 ( 1.407 3.137 -0.110) 3.440 7.255 ( -2.521 -1.850 0.921) 3.260 7.255 ( -2.521 1.850 0.921) 3.260 7.380 ( -0.152 -0.666 -0.578) 0.895 7.380 ( -0.152 0.666 -0.578) 0.895 7.493 ( 1.375 -1.506 1.063) 2.300 7.493 ( 1.375 1.506 1.063) 2.300 7.736 ( -0.119 -0.813 -0.168) 0.839 7.736 ( -0.119 0.813 -0.168) 0.839 7.938 ( -0.140 -0.831 0.195) 0.865 7.938 ( -0.140 0.831 0.195) 0.865 8.165 ( -0.450 -0.676 0.350) 0.884 8.165 ( -0.450 0.676 0.350) 0.884 8.817 ( -0.073 -1.157 -0.162) 1.170 8.817 ( -0.073 1.157 -0.162) 1.170 8.926 ( -0.016 -1.330 0.849) 1.577 8.926 ( -0.016 1.330 0.849) 1.577 9.288 ( -0.740 -0.747 0.129) 1.060 9.288 ( -0.740 0.747 0.129) 1.060 9.386 ( -0.637 -0.458 -1.083) 1.337 9.386 ( -0.637 0.458 -1.083) 1.337 9.503 ( 0.415 -1.197 0.651) 1.424 9.503 ( 0.415 1.197 0.651) 1.424 9.572 ( 0.909 -1.041 -0.723) 1.560 9.572 ( 0.909 1.041 -0.723) 1.560 9.787 ( -1.968 -0.710 3.386) 3.980 9.787 ( -1.968 0.710 3.386) 3.980 9.880 ( 2.795 -1.080 -3.341) 4.487 9.880 ( 2.795 1.080 -3.341) 4.487 10.542 ( -0.387 -1.057 0.210) 1.145 10.542 ( -0.387 1.057 0.210) 1.145 10.553 ( 0.037 -1.203 -0.217) 1.223 10.553 ( 0.037 1.203 -0.217) 1.223 10.826 ( -0.432 -2.473 1.358) 2.855 10.826 ( -0.432 2.473 1.358) 2.855 10.855 ( 0.749 -2.419 -1.252) 2.825 10.855 ( 0.749 2.419 -1.252) 2.825 ======================= Grid point 68 (39/39) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.888 -3.834 3.740) 5.429 0.544 ( 0.888 3.834 3.740) 5.429 0.649 ( 2.061 -1.844 -1.908) 3.360 0.649 ( 2.061 1.844 -1.908) 3.360 0.719 ( -1.074 -4.870 3.024) 5.832 0.719 ( -1.074 4.870 3.024) 5.832 0.786 ( -0.759 -0.875 -0.711) 1.359 0.786 ( -0.759 0.875 -0.711) 1.359 0.835 ( -0.673 -2.287 0.632) 2.466 0.835 ( -0.673 2.287 0.632) 2.466 0.892 ( 1.906 -2.009 -1.703) 3.251 0.892 ( 1.906 2.009 -1.703) 3.251 0.933 ( -1.723 -0.471 0.889) 1.995 0.933 ( -1.723 0.471 0.889) 1.995 0.963 ( -0.146 -1.838 -0.524) 1.917 0.963 ( -0.146 1.838 -0.524) 1.917 1.036 ( 1.005 -0.486 1.188) 1.630 1.036 ( 1.005 0.486 1.188) 1.630 1.045 ( -0.075 -1.112 -0.711) 1.322 1.045 ( -0.075 1.112 -0.711) 1.322 1.077 ( 0.334 -1.562 -0.734) 1.758 1.077 ( 0.334 1.562 -0.734) 1.758 1.116 ( -0.938 -1.073 1.745) 2.253 1.116 ( -0.938 1.073 1.745) 2.253 1.156 ( -0.164 -0.645 -0.877) 1.101 1.156 ( -0.164 0.645 -0.877) 1.101 1.166 ( 0.690 -0.679 -0.524) 1.100 1.166 ( 0.690 0.679 -0.524) 1.100 1.209 ( -1.520 -1.745 2.274) 3.245 1.209 ( -1.520 1.745 2.274) 3.245 1.262 ( -0.412 -0.694 0.905) 1.213 1.262 ( -0.412 0.694 0.905) 1.213 1.300 ( 0.335 -0.724 -1.296) 1.522 1.300 ( 0.335 0.724 -1.296) 1.522 1.357 ( 0.222 -0.906 0.596) 1.107 1.357 ( 0.222 0.906 0.596) 1.107 1.382 ( -1.483 -0.295 -0.267) 1.535 1.382 ( -1.483 0.295 -0.267) 1.535 1.411 ( 0.907 -1.533 0.795) 1.951 1.411 ( 0.907 1.533 0.795) 1.951 1.457 ( -0.649 -0.482 0.345) 0.879 1.457 ( -0.649 0.482 0.345) 0.879 1.504 ( -1.465 -1.215 2.203) 2.912 1.504 ( -1.465 1.215 2.203) 2.912 1.523 ( 1.470 -1.364 0.962) 2.224 1.523 ( 1.470 1.364 0.962) 2.224 1.599 ( 3.214 -2.393 -0.273) 4.016 1.599 ( 3.214 2.393 -0.273) 4.016 1.624 ( 1.589 -2.184 1.440) 3.061 1.624 ( 1.589 2.184 1.440) 3.061 1.694 ( 0.233 -1.045 -1.739) 2.042 1.694 ( 0.233 1.045 -1.739) 2.042 1.751 ( -1.896 -2.668 -1.257) 3.506 1.751 ( -1.896 2.668 -1.257) 3.506 1.795 ( -0.702 -1.027 1.410) 1.881 1.795 ( -0.702 1.027 1.410) 1.881 1.866 ( 0.107 -2.930 0.927) 3.075 1.866 ( 0.107 2.930 0.927) 3.075 1.924 ( 0.845 -2.076 -0.210) 2.252 1.924 ( 0.845 2.076 -0.210) 2.252 2.064 ( -2.926 -1.306 2.738) 4.215 2.064 ( -2.926 1.306 2.738) 4.215 2.142 ( -1.519 -1.141 1.035) 2.163 2.142 ( -1.519 1.141 1.035) 2.163 2.203 ( 2.020 -1.748 -2.672) 3.778 2.203 ( 2.020 1.748 -2.672) 3.778 2.245 ( 2.555 -1.476 -2.351) 3.772 2.245 ( 2.555 1.476 -2.351) 3.772 2.311 ( 0.105 -0.506 -2.344) 2.400 2.311 ( 0.105 0.506 -2.344) 2.400 2.428 ( 0.212 -1.607 -0.491) 1.693 2.428 ( 0.212 1.607 -0.491) 1.693 2.470 ( -1.331 -1.834 1.467) 2.700 2.470 ( -1.331 1.834 1.467) 2.700 2.541 ( -0.435 -2.375 -0.548) 2.476 2.541 ( -0.435 2.375 -0.548) 2.476 2.716 ( -1.238 -1.559 -0.930) 2.197 2.716 ( -1.238 1.559 -0.930) 2.197 2.752 ( -0.712 -0.567 -1.103) 1.430 2.752 ( -0.712 0.567 -1.103) 1.430 2.811 ( 1.125 -0.689 0.641) 1.466 2.811 ( 1.125 0.689 0.641) 1.466 2.838 ( 0.855 -0.311 0.581) 1.079 2.838 ( 0.855 0.311 0.581) 1.079 3.019 ( 0.695 -1.371 0.054) 1.538 3.019 ( 0.695 1.371 0.054) 1.538 3.133 ( 0.594 -0.881 0.108) 1.068 3.133 ( 0.594 0.881 0.108) 1.068 3.533 ( -0.447 -0.354 2.366) 2.434 3.533 ( -0.447 0.354 2.366) 2.434 3.614 ( 1.954 -0.782 -0.684) 2.213 3.614 ( 1.954 0.782 -0.684) 2.213 3.853 ( -1.029 -2.001 0.562) 2.319 3.853 ( -1.029 2.001 0.562) 2.319 3.913 ( -0.391 -1.608 -1.164) 2.024 3.913 ( -0.391 1.608 -1.164) 2.024 3.979 ( -0.513 -4.282 0.516) 4.343 3.979 ( -0.513 4.282 0.516) 4.343 4.051 ( 0.768 -3.562 -2.093) 4.203 4.051 ( 0.768 3.562 -2.093) 4.203 4.552 ( 0.786 -1.810 0.766) 2.117 4.552 ( 0.786 1.810 0.766) 2.117 4.628 ( 1.012 -1.676 -1.219) 2.306 4.628 ( 1.012 1.676 -1.219) 2.306 4.978 ( 0.415 -3.045 -0.478) 3.111 4.978 ( 0.415 3.045 -0.478) 3.111 5.324 ( 0.071 -3.393 -2.435) 4.177 5.324 ( 0.071 3.393 -2.435) 4.177 5.601 ( -0.521 -1.533 -0.469) 1.685 5.601 ( -0.521 1.533 -0.469) 1.685 5.665 ( 1.176 -1.803 3.280) 3.923 5.665 ( 1.176 1.803 3.280) 3.923 5.741 ( -2.159 -1.370 2.820) 3.807 5.741 ( -2.159 1.370 2.820) 3.807 5.808 ( 1.778 -0.542 -3.433) 3.904 5.808 ( 1.778 0.542 -3.433) 3.904 6.071 ( -5.098 -1.561 7.228) 8.981 6.071 ( -5.098 1.561 7.228) 8.981 6.202 ( 2.672 -2.361 -6.791) 7.671 6.202 ( 2.672 2.361 -6.791) 7.671 6.395 ( 0.841 -1.318 -0.353) 1.603 6.395 ( 0.841 1.318 -0.353) 1.603 6.467 ( -0.791 -1.043 -0.838) 1.554 6.467 ( -0.791 1.043 -0.838) 1.554 6.626 ( 0.062 -1.215 -1.513) 1.941 6.626 ( 0.062 1.215 -1.513) 1.941 6.725 ( 1.181 -4.148 0.312) 4.324 6.725 ( 1.181 4.148 0.312) 4.324 6.792 ( 0.087 -2.101 1.590) 2.636 6.792 ( 0.087 2.101 1.590) 2.636 6.857 ( 1.598 -3.860 0.111) 4.180 6.857 ( 1.598 3.860 0.111) 4.180 7.211 ( -2.680 -2.804 0.995) 4.004 7.211 ( -2.680 2.804 0.995) 4.004 7.365 ( -0.772 -0.513 0.130) 0.937 7.365 ( -0.772 0.513 0.130) 0.937 7.552 ( 2.692 -2.171 1.470) 3.758 7.552 ( 2.692 2.171 1.470) 3.758 7.723 ( -0.859 -1.022 -0.597) 1.462 7.723 ( -0.859 1.022 -0.597) 1.462 7.934 ( -0.336 -1.103 -0.034) 1.154 7.934 ( -0.336 1.103 -0.034) 1.154 8.156 ( -0.687 -0.864 0.061) 1.105 8.156 ( -0.687 0.864 0.061) 1.105 8.814 ( -0.033 -1.003 -0.041) 1.004 8.814 ( -0.033 1.003 -0.041) 1.004 8.939 ( 0.260 -2.210 0.713) 2.336 8.939 ( 0.260 2.210 0.713) 2.336 9.269 ( -1.184 -2.321 0.036) 2.606 9.269 ( -1.184 2.321 0.036) 2.606 9.356 ( -1.073 -1.424 -0.541) 1.863 9.356 ( -1.073 1.424 -0.541) 1.863 9.499 ( -0.157 -1.600 -1.359) 2.105 9.499 ( -0.157 1.600 -1.359) 2.105 9.602 ( 1.492 -1.053 0.560) 1.910 9.602 ( 1.492 1.053 0.560) 1.910 9.797 ( -1.342 -0.925 4.094) 4.407 9.797 ( -1.342 0.925 4.094) 4.407 9.901 ( 3.328 -1.144 -3.767) 5.155 9.901 ( 3.328 1.144 -3.767) 5.155 10.535 ( -0.508 -0.582 0.350) 0.849 10.535 ( -0.508 0.582 0.350) 0.849 10.549 ( -0.090 -1.134 -0.265) 1.168 10.549 ( -0.090 1.134 -0.265) 1.168 10.827 ( -0.505 -1.822 0.480) 1.951 10.827 ( -0.505 1.822 0.480) 1.951 10.860 ( 0.810 -1.627 -0.856) 2.009 10.860 ( 0.810 1.627 -0.856) 2.009 =================== 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 3/16800 10.0 7.920 7.351 10.287 0.000 0.185 0.000 3/16800 20.0 1.964 1.762 2.535 0.000 -0.010 0.000 3/16800 30.0 1.070 0.949 1.370 0.000 -0.018 0.000 3/16800 40.0 0.739 0.660 0.945 0.000 -0.018 0.000 3/16800 50.0 0.568 0.514 0.726 0.000 -0.018 0.000 3/16800 60.0 0.462 0.426 0.592 0.000 -0.017 0.000 3/16800 70.0 0.391 0.365 0.502 0.000 -0.016 0.000 3/16800 80.0 0.339 0.321 0.436 0.000 -0.015 0.000 3/16800 90.0 0.300 0.287 0.387 0.000 -0.014 0.000 3/16800 100.0 0.269 0.260 0.348 0.000 -0.014 0.000 3/16800 110.0 0.244 0.238 0.316 0.000 -0.013 0.000 3/16800 120.0 0.224 0.220 0.290 0.000 -0.012 0.000 3/16800 130.0 0.207 0.204 0.268 0.000 -0.012 0.000 3/16800 140.0 0.192 0.190 0.249 0.000 -0.011 0.000 3/16800 150.0 0.179 0.179 0.233 0.000 -0.011 0.000 3/16800 160.0 0.168 0.168 0.218 0.000 -0.011 0.000 3/16800 170.0 0.158 0.159 0.206 0.000 -0.010 0.000 3/16800 180.0 0.150 0.151 0.195 0.000 -0.010 0.000 3/16800 190.0 0.142 0.143 0.185 0.000 -0.009 0.000 3/16800 200.0 0.135 0.137 0.176 0.000 -0.009 0.000 3/16800 210.0 0.129 0.131 0.168 0.000 -0.009 0.000 3/16800 220.0 0.123 0.125 0.160 0.000 -0.009 0.000 3/16800 230.0 0.118 0.120 0.153 0.000 -0.008 0.000 3/16800 240.0 0.113 0.115 0.147 0.000 -0.008 0.000 3/16800 250.0 0.108 0.111 0.141 0.000 -0.008 0.000 3/16800 260.0 0.104 0.107 0.136 0.000 -0.007 0.000 3/16800 270.0 0.100 0.103 0.131 0.000 -0.007 0.000 3/16800 280.0 0.097 0.099 0.126 0.000 -0.007 0.000 3/16800 290.0 0.094 0.096 0.122 0.000 -0.007 0.000 3/16800 300.0 0.090 0.093 0.118 0.000 -0.007 0.000 3/16800 310.0 0.088 0.090 0.114 0.000 -0.006 0.000 3/16800 320.0 0.085 0.087 0.111 0.000 -0.006 0.000 3/16800 330.0 0.082 0.085 0.108 0.000 -0.006 0.000 3/16800 340.0 0.080 0.082 0.104 0.000 -0.006 0.000 3/16800 350.0 0.078 0.080 0.102 0.000 -0.006 0.000 3/16800 360.0 0.076 0.078 0.099 0.000 -0.006 0.000 3/16800 370.0 0.074 0.076 0.096 0.000 -0.006 0.000 3/16800 380.0 0.072 0.074 0.094 0.000 -0.005 0.000 3/16800 390.0 0.070 0.072 0.091 0.000 -0.005 0.000 3/16800 400.0 0.068 0.070 0.089 0.000 -0.005 0.000 3/16800 410.0 0.066 0.069 0.087 0.000 -0.005 0.000 3/16800 420.0 0.065 0.067 0.085 0.000 -0.005 0.000 3/16800 430.0 0.063 0.066 0.083 0.000 -0.005 0.000 3/16800 440.0 0.062 0.064 0.081 0.000 -0.005 0.000 3/16800 450.0 0.061 0.063 0.079 0.000 -0.005 0.000 3/16800 460.0 0.059 0.061 0.078 0.000 -0.005 0.000 3/16800 470.0 0.058 0.060 0.076 0.000 -0.004 0.000 3/16800 480.0 0.057 0.059 0.074 0.000 -0.004 0.000 3/16800 490.0 0.056 0.058 0.073 0.000 -0.004 0.000 3/16800 500.0 0.055 0.057 0.071 0.000 -0.004 0.000 3/16800 510.0 0.053 0.056 0.070 0.000 -0.004 0.000 3/16800 520.0 0.052 0.054 0.069 0.000 -0.004 0.000 3/16800 530.0 0.051 0.053 0.067 0.000 -0.004 0.000 3/16800 540.0 0.051 0.052 0.066 0.000 -0.004 0.000 3/16800 550.0 0.050 0.052 0.065 0.000 -0.004 0.000 3/16800 560.0 0.049 0.051 0.064 0.000 -0.004 0.000 3/16800 570.0 0.048 0.050 0.063 0.000 -0.004 0.000 3/16800 580.0 0.047 0.049 0.062 0.000 -0.004 0.000 3/16800 590.0 0.046 0.048 0.061 0.000 -0.004 0.000 3/16800 600.0 0.046 0.047 0.060 0.000 -0.004 0.000 3/16800 610.0 0.045 0.047 0.059 0.000 -0.004 0.000 3/16800 620.0 0.044 0.046 0.058 0.000 -0.003 0.000 3/16800 630.0 0.043 0.045 0.057 0.000 -0.003 0.000 3/16800 640.0 0.043 0.044 0.056 0.000 -0.003 0.000 3/16800 650.0 0.042 0.044 0.055 0.000 -0.003 0.000 3/16800 660.0 0.041 0.043 0.054 0.000 -0.003 0.000 3/16800 670.0 0.041 0.042 0.053 0.000 -0.003 0.000 3/16800 680.0 0.040 0.042 0.053 0.000 -0.003 0.000 3/16800 690.0 0.040 0.041 0.052 0.000 -0.003 0.000 3/16800 700.0 0.039 0.041 0.051 0.000 -0.003 0.000 3/16800 710.0 0.038 0.040 0.050 0.000 -0.003 0.000 3/16800 720.0 0.038 0.040 0.050 0.000 -0.003 0.000 3/16800 730.0 0.037 0.039 0.049 0.000 -0.003 0.000 3/16800 740.0 0.037 0.038 0.048 0.000 -0.003 0.000 3/16800 750.0 0.036 0.038 0.048 0.000 -0.003 0.000 3/16800 760.0 0.036 0.037 0.047 0.000 -0.003 0.000 3/16800 770.0 0.035 0.037 0.046 0.000 -0.003 0.000 3/16800 780.0 0.035 0.037 0.046 0.000 -0.003 0.000 3/16800 790.0 0.035 0.036 0.045 0.000 -0.003 0.000 3/16800 800.0 0.034 0.036 0.045 0.000 -0.003 0.000 3/16800 810.0 0.034 0.035 0.044 0.000 -0.003 0.000 3/16800 820.0 0.033 0.035 0.044 0.000 -0.003 0.000 3/16800 830.0 0.033 0.034 0.043 0.000 -0.003 0.000 3/16800 840.0 0.033 0.034 0.043 0.000 -0.003 0.000 3/16800 850.0 0.032 0.034 0.042 0.000 -0.003 0.000 3/16800 860.0 0.032 0.033 0.042 0.000 -0.003 0.000 3/16800 870.0 0.031 0.033 0.041 0.000 -0.003 0.000 3/16800 880.0 0.031 0.032 0.041 0.000 -0.002 0.000 3/16800 890.0 0.031 0.032 0.040 0.000 -0.002 0.000 3/16800 900.0 0.030 0.032 0.040 0.000 -0.002 0.000 3/16800 910.0 0.030 0.031 0.039 0.000 -0.002 0.000 3/16800 920.0 0.030 0.031 0.039 0.000 -0.002 0.000 3/16800 930.0 0.029 0.031 0.039 0.000 -0.002 0.000 3/16800 940.0 0.029 0.030 0.038 0.000 -0.002 0.000 3/16800 950.0 0.029 0.030 0.038 0.000 -0.002 0.000 3/16800 960.0 0.028 0.030 0.037 0.000 -0.002 0.000 3/16800 970.0 0.028 0.029 0.037 0.000 -0.002 0.000 3/16800 980.0 0.028 0.029 0.037 0.000 -0.002 0.000 3/16800 990.0 0.028 0.029 0.036 0.000 -0.002 0.000 3/16800 1000.0 0.027 0.029 0.036 0.000 -0.002 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m545.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:19:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|