----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829497360000000 0.000000000000000 c -1.838129849366092 0.000000000000000 6.403217657732191 Atomic positions (fractional): *1 Dy 0.87586247147882 0.63971919128290 0.56065988384064 162.500 2 Dy 0.87586247147882 0.86028080871710 0.06065988384064 162.500 *3 Dy 0.52865305760344 0.87474375923298 0.23231102055479 162.500 4 Dy 0.47134694239656 0.37474375923298 0.26768897944522 162.500 5 Dy 0.52865305760344 0.62525624076702 0.73231102055479 162.500 6 Dy 0.47134694239656 0.12525624076702 0.76768897944521 162.500 7 Dy 0.12413752852118 0.13971919128290 0.93934011615936 162.500 8 Dy 0.12413752852118 0.36028080871710 0.43934011615936 162.500 *9 Si 0.79895307229716 0.08950492703161 0.52779796395324 28.085 10 Si 0.79895307229716 0.41049507296839 0.02779796395324 28.085 11 Si 0.20104692770284 0.58950492703161 0.97220203604676 28.085 12 Si 0.20104692770284 0.91049507296839 0.47220203604676 28.085 *13 O 0.87573221084822 0.94971553430006 0.72859872297756 15.999 *14 O 0.89548632663781 0.28533602351286 0.52081579627498 15.999 15 O 0.87573221084822 0.55028446569994 0.22859872297756 15.999 *16 O 0.79187799026547 0.92664528115168 0.33963949080420 15.999 17 O 0.89548632663781 0.21466397648714 0.02081579627499 15.999 *18 O 0.61262721252615 0.13533997717958 0.49031570886185 15.999 *19 O 0.61465684235704 0.61799546752206 0.44076187060537 15.999 20 O 0.79187799026547 0.57335471884832 0.83963949080420 15.999 21 O 0.61262721252615 0.36466002282042 0.99031570886185 15.999 22 O 0.61465684235704 0.88200453247794 0.94076187060537 15.999 23 O 0.38534315764296 0.11799546752206 0.05923812939463 15.999 24 O 0.38737278747385 0.63533997717958 0.00968429113815 15.999 25 O 0.20812200973453 0.42664528115168 0.16036050919580 15.999 26 O 0.38534315764296 0.38200453247794 0.55923812939463 15.999 27 O 0.38737278747385 0.86466002282042 0.50968429113815 15.999 28 O 0.10451367336219 0.78533602351286 0.97918420372502 15.999 29 O 0.20812200973453 0.07335471884832 0.66036050919580 15.999 30 O 0.12426778915178 0.44971553430006 0.77140127702244 15.999 31 O 0.10451367336219 0.71466397648714 0.47918420372502 15.999 32 O 0.12426778915178 0.05028446569994 0.27140127702244 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829497360000000 0.000000000000000 c -1.838129849366092 0.000000000000000 6.403217657732191 Atomic positions (fractional): *1 Dy 0.87586247147882 0.63971919128290 0.56065988384064 162.500 > 1 2 Dy 0.87586247147882 0.86028080871710 0.06065988384064 162.500 > 2 *3 Dy 0.52865305760344 0.87474375923298 0.23231102055479 162.500 > 3 4 Dy 0.47134694239656 0.37474375923298 0.26768897944522 162.500 > 4 5 Dy 0.52865305760344 0.62525624076702 0.73231102055479 162.500 > 5 6 Dy 0.47134694239656 0.12525624076702 0.76768897944521 162.500 > 6 7 Dy 0.12413752852118 0.13971919128290 0.93934011615936 162.500 > 7 8 Dy 0.12413752852118 0.36028080871710 0.43934011615936 162.500 > 8 *9 Si 0.79895307229716 0.08950492703161 0.52779796395324 28.085 > 9 10 Si 0.79895307229716 0.41049507296839 0.02779796395324 28.085 > 10 11 Si 0.20104692770284 0.58950492703161 0.97220203604676 28.085 > 11 12 Si 0.20104692770284 0.91049507296839 0.47220203604676 28.085 > 12 *13 O 0.87573221084822 0.94971553430006 0.72859872297756 15.999 > 13 *14 O 0.89548632663781 0.28533602351286 0.52081579627498 15.999 > 14 15 O 0.87573221084822 0.55028446569994 0.22859872297756 15.999 > 15 *16 O 0.79187799026547 0.92664528115168 0.33963949080420 15.999 > 16 17 O 0.89548632663781 0.21466397648714 0.02081579627499 15.999 > 17 *18 O 0.61262721252615 0.13533997717958 0.49031570886185 15.999 > 18 *19 O 0.61465684235704 0.61799546752206 0.44076187060537 15.999 > 19 20 O 0.79187799026547 0.57335471884832 0.83963949080420 15.999 > 20 21 O 0.61262721252615 0.36466002282042 0.99031570886185 15.999 > 21 22 O 0.61465684235704 0.88200453247794 0.94076187060537 15.999 > 22 23 O 0.38534315764296 0.11799546752206 0.05923812939463 15.999 > 23 24 O 0.38737278747385 0.63533997717958 0.00968429113815 15.999 > 24 25 O 0.20812200973453 0.42664528115168 0.16036050919580 15.999 > 25 26 O 0.38534315764296 0.38200453247794 0.55923812939463 15.999 > 26 27 O 0.38737278747385 0.86466002282042 0.50968429113815 15.999 > 27 28 O 0.10451367336219 0.78533602351286 0.97918420372502 15.999 > 28 29 O 0.20812200973453 0.07335471884832 0.66036050919580 15.999 > 29 30 O 0.12426778915178 0.44971553430006 0.77140127702244 15.999 > 30 31 O 0.10451367336219 0.71466397648714 0.47918420372502 15.999 > 31 32 O 0.12426778915178 0.05028446569994 0.27140127702244 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658994720000001 0.000000000000000 c -3.676259698732184 0.000000000000000 12.806435315464382 Atomic positions (fractional): *1 Dy 0.87586247147882 0.31985959564145 0.28032994192032 162.500 > 1 2 Dy 0.87586247147882 0.81985959564145 0.28032994192032 162.500 > 1 3 Dy 0.87586247147882 0.31985959564145 0.78032994192032 162.500 > 1 4 Dy 0.87586247147882 0.81985959564145 0.78032994192032 162.500 > 1 5 Dy 0.87586247147882 0.43014040435855 0.03032994192032 162.500 > 2 6 Dy 0.87586247147882 0.93014040435855 0.03032994192032 162.500 > 2 7 Dy 0.87586247147882 0.43014040435855 0.53032994192032 162.500 > 2 8 Dy 0.87586247147882 0.93014040435855 0.53032994192032 162.500 > 2 *9 Dy 0.52865305760344 0.43737187961649 0.11615551027739 162.500 > 3 10 Dy 0.52865305760344 0.93737187961649 0.11615551027739 162.500 > 3 11 Dy 0.52865305760344 0.43737187961649 0.61615551027739 162.500 > 3 12 Dy 0.52865305760344 0.93737187961649 0.61615551027739 162.500 > 3 13 Dy 0.47134694239656 0.18737187961649 0.13384448972261 162.500 > 4 14 Dy 0.47134694239656 0.68737187961649 0.13384448972261 162.500 > 4 15 Dy 0.47134694239656 0.18737187961649 0.63384448972261 162.500 > 4 16 Dy 0.47134694239656 0.68737187961649 0.63384448972261 162.500 > 4 17 Dy 0.52865305760344 0.31262812038351 0.36615551027739 162.500 > 5 18 Dy 0.52865305760344 0.81262812038351 0.36615551027739 162.500 > 5 19 Dy 0.52865305760344 0.31262812038351 0.86615551027739 162.500 > 5 20 Dy 0.52865305760344 0.81262812038351 0.86615551027739 162.500 > 5 21 Dy 0.47134694239656 0.06262812038351 0.38384448972261 162.500 > 6 22 Dy 0.47134694239656 0.56262812038351 0.38384448972261 162.500 > 6 23 Dy 0.47134694239656 0.06262812038351 0.88384448972261 162.500 > 6 24 Dy 0.47134694239656 0.56262812038351 0.88384448972261 162.500 > 6 25 Dy 0.12413752852118 0.06985959564145 0.46967005807968 162.500 > 7 26 Dy 0.12413752852118 0.56985959564145 0.46967005807968 162.500 > 7 27 Dy 0.12413752852118 0.06985959564145 0.96967005807968 162.500 > 7 28 Dy 0.12413752852118 0.56985959564145 0.96967005807968 162.500 > 7 29 Dy 0.12413752852118 0.18014040435855 0.21967005807968 162.500 > 8 30 Dy 0.12413752852118 0.68014040435855 0.21967005807968 162.500 > 8 31 Dy 0.12413752852118 0.18014040435855 0.71967005807968 162.500 > 8 32 Dy 0.12413752852118 0.68014040435855 0.71967005807968 162.500 > 8 *33 Si 0.79895307229716 0.04475246351581 0.26389898197662 28.085 > 9 34 Si 0.79895307229716 0.54475246351581 0.26389898197662 28.085 > 9 35 Si 0.79895307229716 0.04475246351581 0.76389898197662 28.085 > 9 36 Si 0.79895307229716 0.54475246351581 0.76389898197662 28.085 > 9 37 Si 0.79895307229716 0.20524753648419 0.01389898197662 28.085 > 10 38 Si 0.79895307229716 0.70524753648419 0.01389898197662 28.085 > 10 39 Si 0.79895307229716 0.20524753648419 0.51389898197662 28.085 > 10 40 Si 0.79895307229716 0.70524753648419 0.51389898197662 28.085 > 10 41 Si 0.20104692770284 0.29475246351581 0.48610101802338 28.085 > 11 42 Si 0.20104692770284 0.79475246351581 0.48610101802338 28.085 > 11 43 Si 0.20104692770284 0.29475246351581 0.98610101802338 28.085 > 11 44 Si 0.20104692770284 0.79475246351581 0.98610101802338 28.085 > 11 45 Si 0.20104692770284 0.45524753648419 0.23610101802338 28.085 > 12 46 Si 0.20104692770284 0.95524753648419 0.23610101802338 28.085 > 12 47 Si 0.20104692770284 0.45524753648419 0.73610101802338 28.085 > 12 48 Si 0.20104692770284 0.95524753648419 0.73610101802338 28.085 > 12 *49 O 0.87573221084822 0.47485776715003 0.36429936148878 15.999 > 13 50 O 0.87573221084822 0.97485776715003 0.36429936148878 15.999 > 13 51 O 0.87573221084822 0.47485776715003 0.86429936148878 15.999 > 13 52 O 0.87573221084822 0.97485776715003 0.86429936148878 15.999 > 13 *53 O 0.89548632663781 0.14266801175643 0.26040789813749 15.999 > 14 54 O 0.89548632663781 0.64266801175643 0.26040789813749 15.999 > 14 55 O 0.89548632663781 0.14266801175643 0.76040789813749 15.999 > 14 56 O 0.89548632663781 0.64266801175643 0.76040789813749 15.999 > 14 57 O 0.87573221084822 0.27514223284997 0.11429936148878 15.999 > 15 58 O 0.87573221084822 0.77514223284997 0.11429936148878 15.999 > 15 59 O 0.87573221084822 0.27514223284997 0.61429936148878 15.999 > 15 60 O 0.87573221084822 0.77514223284997 0.61429936148878 15.999 > 15 *61 O 0.79187799026547 0.46332264057584 0.16981974540210 15.999 > 16 62 O 0.79187799026547 0.96332264057584 0.16981974540210 15.999 > 16 63 O 0.79187799026547 0.46332264057584 0.66981974540210 15.999 > 16 64 O 0.79187799026547 0.96332264057584 0.66981974540210 15.999 > 16 65 O 0.89548632663781 0.10733198824357 0.01040789813749 15.999 > 17 66 O 0.89548632663781 0.60733198824357 0.01040789813749 15.999 > 17 67 O 0.89548632663781 0.10733198824357 0.51040789813749 15.999 > 17 68 O 0.89548632663781 0.60733198824357 0.51040789813749 15.999 > 17 *69 O 0.61262721252615 0.06766998858979 0.24515785443092 15.999 > 18 70 O 0.61262721252615 0.56766998858979 0.24515785443092 15.999 > 18 71 O 0.61262721252615 0.06766998858979 0.74515785443092 15.999 > 18 72 O 0.61262721252615 0.56766998858979 0.74515785443092 15.999 > 18 *73 O 0.61465684235704 0.30899773376103 0.22038093530269 15.999 > 19 74 O 0.61465684235704 0.80899773376103 0.22038093530269 15.999 > 19 75 O 0.61465684235704 0.30899773376103 0.72038093530269 15.999 > 19 76 O 0.61465684235704 0.80899773376103 0.72038093530269 15.999 > 19 77 O 0.79187799026547 0.28667735942416 0.41981974540210 15.999 > 20 78 O 0.79187799026547 0.78667735942416 0.41981974540210 15.999 > 20 79 O 0.79187799026547 0.28667735942416 0.91981974540210 15.999 > 20 80 O 0.79187799026547 0.78667735942416 0.91981974540210 15.999 > 20 81 O 0.61262721252615 0.18233001141021 0.49515785443093 15.999 > 21 82 O 0.61262721252615 0.68233001141021 0.49515785443093 15.999 > 21 83 O 0.61262721252615 0.18233001141021 0.99515785443092 15.999 > 21 84 O 0.61262721252615 0.68233001141021 0.99515785443092 15.999 > 21 85 O 0.61465684235704 0.44100226623897 0.47038093530269 15.999 > 22 86 O 0.61465684235704 0.94100226623897 0.47038093530269 15.999 > 22 87 O 0.61465684235704 0.44100226623897 0.97038093530269 15.999 > 22 88 O 0.61465684235704 0.94100226623897 0.97038093530269 15.999 > 22 89 O 0.38534315764296 0.05899773376103 0.02961906469731 15.999 > 23 90 O 0.38534315764296 0.55899773376103 0.02961906469731 15.999 > 23 91 O 0.38534315764296 0.05899773376103 0.52961906469731 15.999 > 23 92 O 0.38534315764296 0.55899773376103 0.52961906469731 15.999 > 23 93 O 0.38737278747385 0.31766998858979 0.00484214556907 15.999 > 24 94 O 0.38737278747385 0.81766998858979 0.00484214556907 15.999 > 24 95 O 0.38737278747385 0.31766998858979 0.50484214556908 15.999 > 24 96 O 0.38737278747385 0.81766998858979 0.50484214556908 15.999 > 24 97 O 0.20812200973453 0.21332264057584 0.08018025459790 15.999 > 25 98 O 0.20812200973453 0.71332264057584 0.08018025459790 15.999 > 25 99 O 0.20812200973453 0.21332264057584 0.58018025459790 15.999 > 25 100 O 0.20812200973453 0.71332264057584 0.58018025459790 15.999 > 25 101 O 0.38534315764296 0.19100226623897 0.27961906469731 15.999 > 26 102 O 0.38534315764296 0.69100226623897 0.27961906469731 15.999 > 26 103 O 0.38534315764296 0.19100226623897 0.77961906469731 15.999 > 26 104 O 0.38534315764296 0.69100226623897 0.77961906469731 15.999 > 26 105 O 0.38737278747385 0.43233001141021 0.25484214556907 15.999 > 27 106 O 0.38737278747385 0.93233001141021 0.25484214556907 15.999 > 27 107 O 0.38737278747385 0.43233001141021 0.75484214556908 15.999 > 27 108 O 0.38737278747385 0.93233001141021 0.75484214556908 15.999 > 27 109 O 0.10451367336219 0.39266801175643 0.48959210186251 15.999 > 28 110 O 0.10451367336219 0.89266801175643 0.48959210186251 15.999 > 28 111 O 0.10451367336219 0.39266801175643 0.98959210186251 15.999 > 28 112 O 0.10451367336219 0.89266801175643 0.98959210186251 15.999 > 28 113 O 0.20812200973453 0.03667735942416 0.33018025459790 15.999 > 29 114 O 0.20812200973453 0.53667735942416 0.33018025459790 15.999 > 29 115 O 0.20812200973453 0.03667735942416 0.83018025459790 15.999 > 29 116 O 0.20812200973453 0.53667735942416 0.83018025459790 15.999 > 29 117 O 0.12426778915178 0.22485776715003 0.38570063851122 15.999 > 30 118 O 0.12426778915178 0.72485776715003 0.38570063851122 15.999 > 30 119 O 0.12426778915178 0.22485776715003 0.88570063851122 15.999 > 30 120 O 0.12426778915178 0.72485776715003 0.88570063851122 15.999 > 30 121 O 0.10451367336219 0.35733198824357 0.23959210186251 15.999 > 31 122 O 0.10451367336219 0.85733198824357 0.23959210186251 15.999 > 31 123 O 0.10451367336219 0.35733198824357 0.73959210186251 15.999 > 31 124 O 0.10451367336219 0.85733198824357 0.73959210186251 15.999 > 31 125 O 0.12426778915178 0.02514223284997 0.13570063851122 15.999 > 32 126 O 0.12426778915178 0.52514223284997 0.13570063851122 15.999 > 32 127 O 0.12426778915178 0.02514223284997 0.63570063851122 15.999 > 32 128 O 0.12426778915178 0.52514223284997 0.63570063851122 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7751228 0.0000000 0.0593096 0.0000000 3.8043683 0.0000000 0.0593097 0.0000000 3.8598357 -------------------------- Born effective charges -------------------------- 1 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 2 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 3 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 4 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 5 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 6 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 7 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 8 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 9 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 10 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 11 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 12 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 13 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 14 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 15 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 16 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 17 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 18 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 19 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 20 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 21 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 22 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 23 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 24 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 25 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 26 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 27 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 28 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 29 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 30 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 31 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 32 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.684 Solver_block: 200 / 960 - Time: 1.306 Solver_block: 300 / 960 - Time: 1.370 Solver_block: 400 / 960 - Time: 1.366 Solver_block: 500 / 960 - Time: 1.295 Solver_block: 600 / 960 - Time: 1.328 Solver_block: 700 / 960 - Time: 1.391 Solver_block: 800 / 960 - Time: 1.320 Solver_block: 900 / 960 - Time: 1.359 Solver_block: 960 / 960 - Time: 0.908 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.655 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:28:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:28:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829497360000000 0.000000000000000 c -1.838129849366092 0.000000000000000 6.403217657732191 Atomic positions (fractional): 1 Dy 0.87586247147882 0.63971919128290 0.56065988384064 162.500 2 Dy 0.87586247147882 0.86028080871710 0.06065988384064 162.500 3 Dy 0.52865305760344 0.87474375923298 0.23231102055479 162.500 4 Dy 0.47134694239656 0.37474375923298 0.26768897944522 162.500 5 Dy 0.52865305760344 0.62525624076702 0.73231102055479 162.500 6 Dy 0.47134694239656 0.12525624076702 0.76768897944521 162.500 7 Dy 0.12413752852118 0.13971919128290 0.93934011615936 162.500 8 Dy 0.12413752852118 0.36028080871710 0.43934011615936 162.500 9 Si 0.79895307229716 0.08950492703161 0.52779796395324 28.085 10 Si 0.79895307229716 0.41049507296839 0.02779796395324 28.085 11 Si 0.20104692770284 0.58950492703161 0.97220203604676 28.085 12 Si 0.20104692770284 0.91049507296839 0.47220203604676 28.085 13 O 0.87573221084822 0.94971553430006 0.72859872297756 15.999 14 O 0.89548632663781 0.28533602351286 0.52081579627498 15.999 15 O 0.87573221084822 0.55028446569994 0.22859872297756 15.999 16 O 0.79187799026547 0.92664528115168 0.33963949080420 15.999 17 O 0.89548632663781 0.21466397648714 0.02081579627499 15.999 18 O 0.61262721252615 0.13533997717958 0.49031570886185 15.999 19 O 0.61465684235704 0.61799546752206 0.44076187060537 15.999 20 O 0.79187799026547 0.57335471884832 0.83963949080420 15.999 21 O 0.61262721252615 0.36466002282042 0.99031570886185 15.999 22 O 0.61465684235704 0.88200453247794 0.94076187060537 15.999 23 O 0.38534315764296 0.11799546752206 0.05923812939463 15.999 24 O 0.38737278747385 0.63533997717958 0.00968429113815 15.999 25 O 0.20812200973453 0.42664528115168 0.16036050919580 15.999 26 O 0.38534315764296 0.38200453247794 0.55923812939463 15.999 27 O 0.38737278747385 0.86466002282042 0.50968429113815 15.999 28 O 0.10451367336219 0.78533602351286 0.97918420372502 15.999 29 O 0.20812200973453 0.07335471884832 0.66036050919580 15.999 30 O 0.12426778915178 0.44971553430006 0.77140127702244 15.999 31 O 0.10451367336219 0.71466397648714 0.47918420372502 15.999 32 O 0.12426778915178 0.05028446569994 0.27140127702244 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658994720000001 0.000000000000000 c -3.676259698732184 0.000000000000000 12.806435315464382 Atomic positions (fractional): 1 Dy 0.87586247147882 0.31985959564145 0.28032994192032 162.500 > 1 2 Dy 0.87586247147882 0.81985959564145 0.28032994192032 162.500 > 1 3 Dy 0.87586247147882 0.31985959564145 0.78032994192032 162.500 > 1 4 Dy 0.87586247147882 0.81985959564145 0.78032994192032 162.500 > 1 5 Dy 0.87586247147882 0.43014040435855 0.03032994192032 162.500 > 5 6 Dy 0.87586247147882 0.93014040435855 0.03032994192032 162.500 > 5 7 Dy 0.87586247147882 0.43014040435855 0.53032994192032 162.500 > 5 8 Dy 0.87586247147882 0.93014040435855 0.53032994192032 162.500 > 5 9 Dy 0.52865305760344 0.43737187961649 0.11615551027739 162.500 > 9 10 Dy 0.52865305760344 0.93737187961649 0.11615551027739 162.500 > 9 11 Dy 0.52865305760344 0.43737187961649 0.61615551027739 162.500 > 9 12 Dy 0.52865305760344 0.93737187961649 0.61615551027739 162.500 > 9 13 Dy 0.47134694239656 0.18737187961649 0.13384448972261 162.500 > 13 14 Dy 0.47134694239656 0.68737187961649 0.13384448972261 162.500 > 13 15 Dy 0.47134694239656 0.18737187961649 0.63384448972261 162.500 > 13 16 Dy 0.47134694239656 0.68737187961649 0.63384448972261 162.500 > 13 17 Dy 0.52865305760344 0.31262812038351 0.36615551027739 162.500 > 17 18 Dy 0.52865305760344 0.81262812038351 0.36615551027739 162.500 > 17 19 Dy 0.52865305760344 0.31262812038351 0.86615551027739 162.500 > 17 20 Dy 0.52865305760344 0.81262812038351 0.86615551027739 162.500 > 17 21 Dy 0.47134694239656 0.06262812038351 0.38384448972261 162.500 > 21 22 Dy 0.47134694239656 0.56262812038351 0.38384448972261 162.500 > 21 23 Dy 0.47134694239656 0.06262812038351 0.88384448972261 162.500 > 21 24 Dy 0.47134694239656 0.56262812038351 0.88384448972261 162.500 > 21 25 Dy 0.12413752852118 0.06985959564145 0.46967005807968 162.500 > 25 26 Dy 0.12413752852118 0.56985959564145 0.46967005807968 162.500 > 25 27 Dy 0.12413752852118 0.06985959564145 0.96967005807968 162.500 > 25 28 Dy 0.12413752852118 0.56985959564145 0.96967005807968 162.500 > 25 29 Dy 0.12413752852118 0.18014040435855 0.21967005807968 162.500 > 29 30 Dy 0.12413752852118 0.68014040435855 0.21967005807968 162.500 > 29 31 Dy 0.12413752852118 0.18014040435855 0.71967005807968 162.500 > 29 32 Dy 0.12413752852118 0.68014040435855 0.71967005807968 162.500 > 29 33 Si 0.79895307229716 0.04475246351581 0.26389898197662 28.085 > 33 34 Si 0.79895307229716 0.54475246351581 0.26389898197662 28.085 > 33 35 Si 0.79895307229716 0.04475246351581 0.76389898197662 28.085 > 33 36 Si 0.79895307229716 0.54475246351581 0.76389898197662 28.085 > 33 37 Si 0.79895307229716 0.20524753648419 0.01389898197662 28.085 > 37 38 Si 0.79895307229716 0.70524753648419 0.01389898197662 28.085 > 37 39 Si 0.79895307229716 0.20524753648419 0.51389898197662 28.085 > 37 40 Si 0.79895307229716 0.70524753648419 0.51389898197662 28.085 > 37 41 Si 0.20104692770284 0.29475246351581 0.48610101802338 28.085 > 41 42 Si 0.20104692770284 0.79475246351581 0.48610101802338 28.085 > 41 43 Si 0.20104692770284 0.29475246351581 0.98610101802338 28.085 > 41 44 Si 0.20104692770284 0.79475246351581 0.98610101802338 28.085 > 41 45 Si 0.20104692770284 0.45524753648419 0.23610101802338 28.085 > 45 46 Si 0.20104692770284 0.95524753648419 0.23610101802338 28.085 > 45 47 Si 0.20104692770284 0.45524753648419 0.73610101802338 28.085 > 45 48 Si 0.20104692770284 0.95524753648419 0.73610101802338 28.085 > 45 49 O 0.87573221084822 0.47485776715003 0.36429936148878 15.999 > 49 50 O 0.87573221084822 0.97485776715003 0.36429936148878 15.999 > 49 51 O 0.87573221084822 0.47485776715003 0.86429936148878 15.999 > 49 52 O 0.87573221084822 0.97485776715003 0.86429936148878 15.999 > 49 53 O 0.89548632663781 0.14266801175643 0.26040789813749 15.999 > 53 54 O 0.89548632663781 0.64266801175643 0.26040789813749 15.999 > 53 55 O 0.89548632663781 0.14266801175643 0.76040789813749 15.999 > 53 56 O 0.89548632663781 0.64266801175643 0.76040789813749 15.999 > 53 57 O 0.87573221084822 0.27514223284997 0.11429936148878 15.999 > 57 58 O 0.87573221084822 0.77514223284997 0.11429936148878 15.999 > 57 59 O 0.87573221084822 0.27514223284997 0.61429936148878 15.999 > 57 60 O 0.87573221084822 0.77514223284997 0.61429936148878 15.999 > 57 61 O 0.79187799026547 0.46332264057584 0.16981974540210 15.999 > 61 62 O 0.79187799026547 0.96332264057584 0.16981974540210 15.999 > 61 63 O 0.79187799026547 0.46332264057584 0.66981974540210 15.999 > 61 64 O 0.79187799026547 0.96332264057584 0.66981974540210 15.999 > 61 65 O 0.89548632663781 0.10733198824357 0.01040789813749 15.999 > 65 66 O 0.89548632663781 0.60733198824357 0.01040789813749 15.999 > 65 67 O 0.89548632663781 0.10733198824357 0.51040789813749 15.999 > 65 68 O 0.89548632663781 0.60733198824357 0.51040789813749 15.999 > 65 69 O 0.61262721252615 0.06766998858979 0.24515785443092 15.999 > 69 70 O 0.61262721252615 0.56766998858979 0.24515785443092 15.999 > 69 71 O 0.61262721252615 0.06766998858979 0.74515785443092 15.999 > 69 72 O 0.61262721252615 0.56766998858979 0.74515785443092 15.999 > 69 73 O 0.61465684235704 0.30899773376103 0.22038093530269 15.999 > 73 74 O 0.61465684235704 0.80899773376103 0.22038093530269 15.999 > 73 75 O 0.61465684235704 0.30899773376103 0.72038093530269 15.999 > 73 76 O 0.61465684235704 0.80899773376103 0.72038093530269 15.999 > 73 77 O 0.79187799026547 0.28667735942416 0.41981974540210 15.999 > 77 78 O 0.79187799026547 0.78667735942416 0.41981974540210 15.999 > 77 79 O 0.79187799026547 0.28667735942416 0.91981974540210 15.999 > 77 80 O 0.79187799026547 0.78667735942416 0.91981974540210 15.999 > 77 81 O 0.61262721252615 0.18233001141021 0.49515785443093 15.999 > 81 82 O 0.61262721252615 0.68233001141021 0.49515785443093 15.999 > 81 83 O 0.61262721252615 0.18233001141021 0.99515785443092 15.999 > 81 84 O 0.61262721252615 0.68233001141021 0.99515785443092 15.999 > 81 85 O 0.61465684235704 0.44100226623897 0.47038093530269 15.999 > 85 86 O 0.61465684235704 0.94100226623897 0.47038093530269 15.999 > 85 87 O 0.61465684235704 0.44100226623897 0.97038093530269 15.999 > 85 88 O 0.61465684235704 0.94100226623897 0.97038093530269 15.999 > 85 89 O 0.38534315764296 0.05899773376103 0.02961906469731 15.999 > 89 90 O 0.38534315764296 0.55899773376103 0.02961906469731 15.999 > 89 91 O 0.38534315764296 0.05899773376103 0.52961906469731 15.999 > 89 92 O 0.38534315764296 0.55899773376103 0.52961906469731 15.999 > 89 93 O 0.38737278747385 0.31766998858979 0.00484214556907 15.999 > 93 94 O 0.38737278747385 0.81766998858979 0.00484214556907 15.999 > 93 95 O 0.38737278747385 0.31766998858979 0.50484214556908 15.999 > 93 96 O 0.38737278747385 0.81766998858979 0.50484214556908 15.999 > 93 97 O 0.20812200973453 0.21332264057584 0.08018025459790 15.999 > 97 98 O 0.20812200973453 0.71332264057584 0.08018025459790 15.999 > 97 99 O 0.20812200973453 0.21332264057584 0.58018025459790 15.999 > 97 100 O 0.20812200973453 0.71332264057584 0.58018025459790 15.999 > 97 101 O 0.38534315764296 0.19100226623897 0.27961906469731 15.999 > 101 102 O 0.38534315764296 0.69100226623897 0.27961906469731 15.999 > 101 103 O 0.38534315764296 0.19100226623897 0.77961906469731 15.999 > 101 104 O 0.38534315764296 0.69100226623897 0.77961906469731 15.999 > 101 105 O 0.38737278747385 0.43233001141021 0.25484214556907 15.999 > 105 106 O 0.38737278747385 0.93233001141021 0.25484214556907 15.999 > 105 107 O 0.38737278747385 0.43233001141021 0.75484214556908 15.999 > 105 108 O 0.38737278747385 0.93233001141021 0.75484214556908 15.999 > 105 109 O 0.10451367336219 0.39266801175643 0.48959210186251 15.999 > 109 110 O 0.10451367336219 0.89266801175643 0.48959210186251 15.999 > 109 111 O 0.10451367336219 0.39266801175643 0.98959210186251 15.999 > 109 112 O 0.10451367336219 0.89266801175643 0.98959210186251 15.999 > 109 113 O 0.20812200973453 0.03667735942416 0.33018025459790 15.999 > 113 114 O 0.20812200973453 0.53667735942416 0.33018025459790 15.999 > 113 115 O 0.20812200973453 0.03667735942416 0.83018025459790 15.999 > 113 116 O 0.20812200973453 0.53667735942416 0.83018025459790 15.999 > 113 117 O 0.12426778915178 0.22485776715003 0.38570063851122 15.999 > 117 118 O 0.12426778915178 0.72485776715003 0.38570063851122 15.999 > 117 119 O 0.12426778915178 0.22485776715003 0.88570063851122 15.999 > 117 120 O 0.12426778915178 0.72485776715003 0.88570063851122 15.999 > 117 121 O 0.10451367336219 0.35733198824357 0.23959210186251 15.999 > 121 122 O 0.10451367336219 0.85733198824357 0.23959210186251 15.999 > 121 123 O 0.10451367336219 0.35733198824357 0.73959210186251 15.999 > 121 124 O 0.10451367336219 0.85733198824357 0.73959210186251 15.999 > 121 125 O 0.12426778915178 0.02514223284997 0.13570063851122 15.999 > 125 126 O 0.12426778915178 0.52514223284997 0.13570063851122 15.999 > 125 127 O 0.12426778915178 0.02514223284997 0.63570063851122 15.999 > 125 128 O 0.12426778915178 0.52514223284997 0.63570063851122 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7751228 0.0000000 0.0593096 0.0000000 3.8043683 0.0000000 0.0593097 0.0000000 3.8598357 -------------------------- Born effective charges -------------------------- 1 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 2 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 3 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 4 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 5 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 6 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 7 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 8 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 9 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 10 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 11 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 12 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 13 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 14 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 15 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 16 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 17 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 18 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 19 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 20 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 21 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 22 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 23 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 24 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 25 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 26 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 27 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 28 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 29 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 30 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 31 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 32 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 61, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (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 22:29:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:29:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829497360000000 0.000000000000000 c -1.838129849366092 0.000000000000000 6.403217657732191 Atomic positions (fractional): 1 Dy 0.87586247147882 0.63971919128290 0.56065988384064 162.500 2 Dy 0.87586247147882 0.86028080871710 0.06065988384064 162.500 3 Dy 0.52865305760344 0.87474375923298 0.23231102055479 162.500 4 Dy 0.47134694239656 0.37474375923298 0.26768897944522 162.500 5 Dy 0.52865305760344 0.62525624076702 0.73231102055479 162.500 6 Dy 0.47134694239656 0.12525624076702 0.76768897944521 162.500 7 Dy 0.12413752852118 0.13971919128290 0.93934011615936 162.500 8 Dy 0.12413752852118 0.36028080871710 0.43934011615936 162.500 9 Si 0.79895307229716 0.08950492703161 0.52779796395324 28.085 10 Si 0.79895307229716 0.41049507296839 0.02779796395324 28.085 11 Si 0.20104692770284 0.58950492703161 0.97220203604676 28.085 12 Si 0.20104692770284 0.91049507296839 0.47220203604676 28.085 13 O 0.87573221084822 0.94971553430006 0.72859872297756 15.999 14 O 0.89548632663781 0.28533602351286 0.52081579627498 15.999 15 O 0.87573221084822 0.55028446569994 0.22859872297756 15.999 16 O 0.79187799026547 0.92664528115168 0.33963949080420 15.999 17 O 0.89548632663781 0.21466397648714 0.02081579627499 15.999 18 O 0.61262721252615 0.13533997717958 0.49031570886185 15.999 19 O 0.61465684235704 0.61799546752206 0.44076187060537 15.999 20 O 0.79187799026547 0.57335471884832 0.83963949080420 15.999 21 O 0.61262721252615 0.36466002282042 0.99031570886185 15.999 22 O 0.61465684235704 0.88200453247794 0.94076187060537 15.999 23 O 0.38534315764296 0.11799546752206 0.05923812939463 15.999 24 O 0.38737278747385 0.63533997717958 0.00968429113815 15.999 25 O 0.20812200973453 0.42664528115168 0.16036050919580 15.999 26 O 0.38534315764296 0.38200453247794 0.55923812939463 15.999 27 O 0.38737278747385 0.86466002282042 0.50968429113815 15.999 28 O 0.10451367336219 0.78533602351286 0.97918420372502 15.999 29 O 0.20812200973453 0.07335471884832 0.66036050919580 15.999 30 O 0.12426778915178 0.44971553430006 0.77140127702244 15.999 31 O 0.10451367336219 0.71466397648714 0.47918420372502 15.999 32 O 0.12426778915178 0.05028446569994 0.27140127702244 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.014982080050585 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658994720000001 0.000000000000000 c -3.676259698732184 0.000000000000000 12.806435315464382 Atomic positions (fractional): 1 Dy 0.87586247147882 0.31985959564145 0.28032994192032 162.500 > 1 2 Dy 0.87586247147882 0.81985959564145 0.28032994192032 162.500 > 1 3 Dy 0.87586247147882 0.31985959564145 0.78032994192032 162.500 > 1 4 Dy 0.87586247147882 0.81985959564145 0.78032994192032 162.500 > 1 5 Dy 0.87586247147882 0.43014040435855 0.03032994192032 162.500 > 5 6 Dy 0.87586247147882 0.93014040435855 0.03032994192032 162.500 > 5 7 Dy 0.87586247147882 0.43014040435855 0.53032994192032 162.500 > 5 8 Dy 0.87586247147882 0.93014040435855 0.53032994192032 162.500 > 5 9 Dy 0.52865305760344 0.43737187961649 0.11615551027739 162.500 > 9 10 Dy 0.52865305760344 0.93737187961649 0.11615551027739 162.500 > 9 11 Dy 0.52865305760344 0.43737187961649 0.61615551027739 162.500 > 9 12 Dy 0.52865305760344 0.93737187961649 0.61615551027739 162.500 > 9 13 Dy 0.47134694239656 0.18737187961649 0.13384448972261 162.500 > 13 14 Dy 0.47134694239656 0.68737187961649 0.13384448972261 162.500 > 13 15 Dy 0.47134694239656 0.18737187961649 0.63384448972261 162.500 > 13 16 Dy 0.47134694239656 0.68737187961649 0.63384448972261 162.500 > 13 17 Dy 0.52865305760344 0.31262812038351 0.36615551027739 162.500 > 17 18 Dy 0.52865305760344 0.81262812038351 0.36615551027739 162.500 > 17 19 Dy 0.52865305760344 0.31262812038351 0.86615551027739 162.500 > 17 20 Dy 0.52865305760344 0.81262812038351 0.86615551027739 162.500 > 17 21 Dy 0.47134694239656 0.06262812038351 0.38384448972261 162.500 > 21 22 Dy 0.47134694239656 0.56262812038351 0.38384448972261 162.500 > 21 23 Dy 0.47134694239656 0.06262812038351 0.88384448972261 162.500 > 21 24 Dy 0.47134694239656 0.56262812038351 0.88384448972261 162.500 > 21 25 Dy 0.12413752852118 0.06985959564145 0.46967005807968 162.500 > 25 26 Dy 0.12413752852118 0.56985959564145 0.46967005807968 162.500 > 25 27 Dy 0.12413752852118 0.06985959564145 0.96967005807968 162.500 > 25 28 Dy 0.12413752852118 0.56985959564145 0.96967005807968 162.500 > 25 29 Dy 0.12413752852118 0.18014040435855 0.21967005807968 162.500 > 29 30 Dy 0.12413752852118 0.68014040435855 0.21967005807968 162.500 > 29 31 Dy 0.12413752852118 0.18014040435855 0.71967005807968 162.500 > 29 32 Dy 0.12413752852118 0.68014040435855 0.71967005807968 162.500 > 29 33 Si 0.79895307229716 0.04475246351581 0.26389898197662 28.085 > 33 34 Si 0.79895307229716 0.54475246351581 0.26389898197662 28.085 > 33 35 Si 0.79895307229716 0.04475246351581 0.76389898197662 28.085 > 33 36 Si 0.79895307229716 0.54475246351581 0.76389898197662 28.085 > 33 37 Si 0.79895307229716 0.20524753648419 0.01389898197662 28.085 > 37 38 Si 0.79895307229716 0.70524753648419 0.01389898197662 28.085 > 37 39 Si 0.79895307229716 0.20524753648419 0.51389898197662 28.085 > 37 40 Si 0.79895307229716 0.70524753648419 0.51389898197662 28.085 > 37 41 Si 0.20104692770284 0.29475246351581 0.48610101802338 28.085 > 41 42 Si 0.20104692770284 0.79475246351581 0.48610101802338 28.085 > 41 43 Si 0.20104692770284 0.29475246351581 0.98610101802338 28.085 > 41 44 Si 0.20104692770284 0.79475246351581 0.98610101802338 28.085 > 41 45 Si 0.20104692770284 0.45524753648419 0.23610101802338 28.085 > 45 46 Si 0.20104692770284 0.95524753648419 0.23610101802338 28.085 > 45 47 Si 0.20104692770284 0.45524753648419 0.73610101802338 28.085 > 45 48 Si 0.20104692770284 0.95524753648419 0.73610101802338 28.085 > 45 49 O 0.87573221084822 0.47485776715003 0.36429936148878 15.999 > 49 50 O 0.87573221084822 0.97485776715003 0.36429936148878 15.999 > 49 51 O 0.87573221084822 0.47485776715003 0.86429936148878 15.999 > 49 52 O 0.87573221084822 0.97485776715003 0.86429936148878 15.999 > 49 53 O 0.89548632663781 0.14266801175643 0.26040789813749 15.999 > 53 54 O 0.89548632663781 0.64266801175643 0.26040789813749 15.999 > 53 55 O 0.89548632663781 0.14266801175643 0.76040789813749 15.999 > 53 56 O 0.89548632663781 0.64266801175643 0.76040789813749 15.999 > 53 57 O 0.87573221084822 0.27514223284997 0.11429936148878 15.999 > 57 58 O 0.87573221084822 0.77514223284997 0.11429936148878 15.999 > 57 59 O 0.87573221084822 0.27514223284997 0.61429936148878 15.999 > 57 60 O 0.87573221084822 0.77514223284997 0.61429936148878 15.999 > 57 61 O 0.79187799026547 0.46332264057584 0.16981974540210 15.999 > 61 62 O 0.79187799026547 0.96332264057584 0.16981974540210 15.999 > 61 63 O 0.79187799026547 0.46332264057584 0.66981974540210 15.999 > 61 64 O 0.79187799026547 0.96332264057584 0.66981974540210 15.999 > 61 65 O 0.89548632663781 0.10733198824357 0.01040789813749 15.999 > 65 66 O 0.89548632663781 0.60733198824357 0.01040789813749 15.999 > 65 67 O 0.89548632663781 0.10733198824357 0.51040789813749 15.999 > 65 68 O 0.89548632663781 0.60733198824357 0.51040789813749 15.999 > 65 69 O 0.61262721252615 0.06766998858979 0.24515785443092 15.999 > 69 70 O 0.61262721252615 0.56766998858979 0.24515785443092 15.999 > 69 71 O 0.61262721252615 0.06766998858979 0.74515785443092 15.999 > 69 72 O 0.61262721252615 0.56766998858979 0.74515785443092 15.999 > 69 73 O 0.61465684235704 0.30899773376103 0.22038093530269 15.999 > 73 74 O 0.61465684235704 0.80899773376103 0.22038093530269 15.999 > 73 75 O 0.61465684235704 0.30899773376103 0.72038093530269 15.999 > 73 76 O 0.61465684235704 0.80899773376103 0.72038093530269 15.999 > 73 77 O 0.79187799026547 0.28667735942416 0.41981974540210 15.999 > 77 78 O 0.79187799026547 0.78667735942416 0.41981974540210 15.999 > 77 79 O 0.79187799026547 0.28667735942416 0.91981974540210 15.999 > 77 80 O 0.79187799026547 0.78667735942416 0.91981974540210 15.999 > 77 81 O 0.61262721252615 0.18233001141021 0.49515785443093 15.999 > 81 82 O 0.61262721252615 0.68233001141021 0.49515785443093 15.999 > 81 83 O 0.61262721252615 0.18233001141021 0.99515785443092 15.999 > 81 84 O 0.61262721252615 0.68233001141021 0.99515785443092 15.999 > 81 85 O 0.61465684235704 0.44100226623897 0.47038093530269 15.999 > 85 86 O 0.61465684235704 0.94100226623897 0.47038093530269 15.999 > 85 87 O 0.61465684235704 0.44100226623897 0.97038093530269 15.999 > 85 88 O 0.61465684235704 0.94100226623897 0.97038093530269 15.999 > 85 89 O 0.38534315764296 0.05899773376103 0.02961906469731 15.999 > 89 90 O 0.38534315764296 0.55899773376103 0.02961906469731 15.999 > 89 91 O 0.38534315764296 0.05899773376103 0.52961906469731 15.999 > 89 92 O 0.38534315764296 0.55899773376103 0.52961906469731 15.999 > 89 93 O 0.38737278747385 0.31766998858979 0.00484214556907 15.999 > 93 94 O 0.38737278747385 0.81766998858979 0.00484214556907 15.999 > 93 95 O 0.38737278747385 0.31766998858979 0.50484214556908 15.999 > 93 96 O 0.38737278747385 0.81766998858979 0.50484214556908 15.999 > 93 97 O 0.20812200973453 0.21332264057584 0.08018025459790 15.999 > 97 98 O 0.20812200973453 0.71332264057584 0.08018025459790 15.999 > 97 99 O 0.20812200973453 0.21332264057584 0.58018025459790 15.999 > 97 100 O 0.20812200973453 0.71332264057584 0.58018025459790 15.999 > 97 101 O 0.38534315764296 0.19100226623897 0.27961906469731 15.999 > 101 102 O 0.38534315764296 0.69100226623897 0.27961906469731 15.999 > 101 103 O 0.38534315764296 0.19100226623897 0.77961906469731 15.999 > 101 104 O 0.38534315764296 0.69100226623897 0.77961906469731 15.999 > 101 105 O 0.38737278747385 0.43233001141021 0.25484214556907 15.999 > 105 106 O 0.38737278747385 0.93233001141021 0.25484214556907 15.999 > 105 107 O 0.38737278747385 0.43233001141021 0.75484214556908 15.999 > 105 108 O 0.38737278747385 0.93233001141021 0.75484214556908 15.999 > 105 109 O 0.10451367336219 0.39266801175643 0.48959210186251 15.999 > 109 110 O 0.10451367336219 0.89266801175643 0.48959210186251 15.999 > 109 111 O 0.10451367336219 0.39266801175643 0.98959210186251 15.999 > 109 112 O 0.10451367336219 0.89266801175643 0.98959210186251 15.999 > 109 113 O 0.20812200973453 0.03667735942416 0.33018025459790 15.999 > 113 114 O 0.20812200973453 0.53667735942416 0.33018025459790 15.999 > 113 115 O 0.20812200973453 0.03667735942416 0.83018025459790 15.999 > 113 116 O 0.20812200973453 0.53667735942416 0.83018025459790 15.999 > 113 117 O 0.12426778915178 0.22485776715003 0.38570063851122 15.999 > 117 118 O 0.12426778915178 0.72485776715003 0.38570063851122 15.999 > 117 119 O 0.12426778915178 0.22485776715003 0.88570063851122 15.999 > 117 120 O 0.12426778915178 0.72485776715003 0.88570063851122 15.999 > 117 121 O 0.10451367336219 0.35733198824357 0.23959210186251 15.999 > 121 122 O 0.10451367336219 0.85733198824357 0.23959210186251 15.999 > 121 123 O 0.10451367336219 0.35733198824357 0.73959210186251 15.999 > 121 124 O 0.10451367336219 0.85733198824357 0.73959210186251 15.999 > 121 125 O 0.12426778915178 0.02514223284997 0.13570063851122 15.999 > 125 126 O 0.12426778915178 0.52514223284997 0.13570063851122 15.999 > 125 127 O 0.12426778915178 0.02514223284997 0.63570063851122 15.999 > 125 128 O 0.12426778915178 0.52514223284997 0.63570063851122 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7751228 0.0000000 0.0593096 0.0000000 3.8043683 0.0000000 0.0593097 0.0000000 3.8598357 -------------------------- Born effective charges -------------------------- 1 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 2 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 3 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 4 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 5 Dy 3.3167982 0.0055521 0.0951841 0.1719483 3.7890931 0.2663823 0.0094857 0.3051295 4.0555673 6 Dy 3.3167982 -0.0055521 0.0951841 -0.1719483 3.7890931 -0.2663823 0.0094857 -0.3051295 4.0555673 7 Dy 4.1826627 0.1654052 -0.1978813 0.0824480 3.6797895 -0.0757434 -0.1222188 -0.0459361 3.8932788 8 Dy 4.1826627 -0.1654052 -0.1978813 -0.0824480 3.6797895 0.0757434 -0.1222188 0.0459361 3.8932788 9 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 10 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 11 Si 3.1583648 -0.2584830 0.2734821 -0.0741770 3.4114896 -0.0414257 0.3253426 -0.0683640 2.9515209 12 Si 3.1583648 0.2584830 0.2734821 0.0741770 3.4114896 0.0414257 0.3253426 0.0683640 2.9515209 13 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 14 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 15 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 16 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 17 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 18 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 19 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 20 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 21 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 22 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 23 O -2.4455439 0.2707384 -0.2038036 0.3007501 -2.3952933 -0.0199595 -0.1435952 -0.0280334 -2.5231611 24 O -2.4044311 -0.3108877 -0.1478997 -0.3807551 -1.9171204 -0.0577618 -0.0820738 -0.0092533 -1.9485067 25 O -2.0458756 -0.1314959 0.1858413 -0.1608764 -1.9076964 0.3225669 0.1575553 0.4125469 -2.3994894 26 O -2.4455439 -0.2707384 -0.2038036 -0.3007501 -2.3952933 0.0199595 -0.1435952 0.0280334 -2.5231611 27 O -2.4044311 0.3108877 -0.1478997 0.3807551 -1.9171204 0.0577618 -0.0820738 0.0092533 -1.9485067 28 O -2.2410108 0.4809554 0.0710919 0.5013607 -2.4919305 -0.0880659 -0.0099545 -0.0501803 -1.4191544 29 O -2.0458756 0.1314959 0.1858413 0.1608764 -1.9076964 -0.3225669 0.1575553 -0.4125469 -2.3994894 30 O -1.5209644 0.1179017 -0.0760147 0.0606739 -2.1683316 -0.1558661 -0.1345414 -0.2616793 -2.6100554 31 O -2.2410108 -0.4809554 0.0710919 -0.5013607 -2.4919305 0.0880659 -0.0099545 0.0501803 -1.4191544 32 O -1.5209644 -0.1179017 -0.0760147 -0.0606739 -2.1683316 0.1558661 -0.1345414 0.2616793 -2.6100554 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 10.865 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.737 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 14.895 ( 0.000 0.000 0.000) 0.000 15.216 ( 0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 15.989 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 0.000) 0.000 16.108 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 24.575 ( 0.000 0.000 0.000) 0.000 24.736 ( 0.000 0.000 0.000) 0.000 24.845 ( 0.000 0.000 0.000) 0.000 25.041 ( 0.000 0.000 0.000) 0.000 25.482 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 0.000) 0.000 25.761 ( 0.000 0.000 0.000) 0.000 25.823 ( 0.000 0.000 0.000) 0.000 27.210 ( 0.000 0.000 0.000) 0.000 27.374 ( 0.000 0.000 0.000) 0.000 27.498 ( 0.000 0.000 0.000) 0.000 28.262 ( 0.000 0.000 0.000) 0.000 29.630 ( 0.000 0.000 0.000) 0.000 29.982 ( 0.000 0.000 0.000) 0.000 30.493 ( 0.000 0.000 0.000) 0.000 30.793 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 27.461 0.000 0.627) 27.468 0.588 ( 26.182 0.000 14.562) 29.959 0.880 ( 42.711 0.000 4.964) 42.999 1.856 ( -0.758 0.000 5.069) 5.125 1.993 ( 2.504 0.000 4.245) 4.929 2.609 ( -13.186 0.000 -5.036) 14.114 2.615 ( -3.008 0.000 -3.071) 4.299 2.693 ( 4.177 0.000 2.745) 4.999 2.754 ( -6.285 0.000 -0.685) 6.322 3.013 ( -0.186 0.000 5.526) 5.529 3.106 ( 6.839 0.000 2.025) 7.133 3.190 ( -5.184 0.000 1.902) 5.522 3.303 ( -1.817 0.000 -2.291) 2.924 3.448 ( -2.265 0.000 -2.120) 3.102 3.461 ( 1.177 0.000 -1.132) 1.633 3.640 ( 0.148 0.000 1.778) 1.784 3.783 ( 0.034 0.000 3.383) 3.384 3.995 ( -7.782 0.000 0.095) 7.783 4.142 ( 9.105 0.000 -2.217) 9.371 4.209 ( 0.173 0.000 -0.380) 0.418 4.590 ( 4.972 0.000 0.370) 4.986 4.899 ( -8.254 0.000 1.044) 8.319 5.292 ( -4.590 0.000 1.987) 5.002 5.390 ( -8.597 0.000 -1.300) 8.695 5.475 ( 0.756 0.000 -0.203) 0.783 5.536 ( 0.334 0.000 1.464) 1.502 5.727 ( 6.146 0.000 -3.921) 7.291 5.792 ( 1.871 0.000 -0.070) 1.873 5.993 ( -4.272 0.000 3.632) 5.607 6.394 ( -8.755 0.000 -4.069) 9.654 6.471 ( -1.697 0.000 0.313) 1.726 6.735 ( -2.299 0.000 -2.366) 3.300 6.792 ( -7.207 0.000 26.317) 27.286 7.266 ( 15.923 0.000 7.123) 17.443 7.312 ( -6.898 0.000 -1.277) 7.015 7.485 ( 1.979 0.000 -10.203) 10.393 7.521 ( -0.071 0.000 -3.576) 3.577 7.627 ( 0.208 0.000 -0.482) 0.525 7.891 ( 4.594 0.000 11.452) 12.339 7.950 ( -8.107 0.000 -4.648) 9.345 8.474 ( -3.262 0.000 20.476) 20.734 8.586 ( -2.273 0.000 -1.486) 2.716 8.648 ( 11.854 0.000 -22.338) 25.288 8.656 ( 2.273 0.000 5.967) 6.385 8.867 ( -4.583 0.000 -4.018) 6.095 8.972 ( 2.085 0.000 -1.983) 2.877 9.008 ( 3.009 0.000 -1.075) 3.196 9.625 ( -0.540 0.000 -3.952) 3.988 10.168 ( 4.737 0.000 -3.521) 5.902 10.198 ( -5.270 0.000 0.918) 5.350 10.846 ( -10.568 0.000 7.462) 12.937 10.872 ( -0.645 0.000 -0.133) 0.659 11.179 ( 5.039 0.000 -1.889) 5.382 11.347 ( 8.152 0.000 5.502) 9.835 11.438 ( 6.654 0.000 8.150) 10.521 11.569 ( -2.321 0.000 -28.902) 28.995 11.930 ( 6.243 0.000 -11.644) 13.212 12.170 ( -2.901 0.000 -1.691) 3.358 12.480 ( -2.905 0.000 -0.734) 2.996 12.822 ( -5.793 0.000 13.012) 14.243 13.060 ( 1.651 0.000 12.306) 12.417 13.277 ( -15.986 0.000 -0.646) 15.999 13.448 ( 4.262 0.000 -0.592) 4.303 13.666 ( -1.126 0.000 -14.337) 14.381 13.734 ( 1.205 0.000 -3.889) 4.071 13.757 ( 4.475 0.000 -4.259) 6.178 14.079 ( -2.027 0.000 -2.426) 3.162 14.295 ( 4.383 0.000 6.874) 8.153 14.750 ( 5.634 0.000 0.341) 5.644 14.884 ( -0.641 0.000 -0.692) 0.944 15.243 ( 2.113 0.000 1.208) 2.434 15.298 ( -3.867 0.000 21.026) 21.379 15.864 ( -10.689 0.000 -4.383) 11.553 15.976 ( -2.235 0.000 2.719) 3.520 16.280 ( 8.148 0.000 4.576) 9.345 16.368 ( -4.551 0.000 6.033) 7.557 16.426 ( 0.713 0.000 -1.231) 1.422 16.738 ( 2.769 0.000 0.562) 2.825 16.837 ( 4.477 0.000 -2.807) 5.284 17.268 ( -2.066 0.000 -1.883) 2.795 24.612 ( 3.829 0.000 0.177) 3.833 24.853 ( 0.329 0.000 1.927) 1.955 24.987 ( 11.588 0.000 -44.026) 45.526 25.016 ( -2.532 0.000 -0.502) 2.581 25.535 ( -2.042 0.000 -0.810) 2.197 25.620 ( -5.312 0.000 11.832) 12.969 25.786 ( 1.943 0.000 0.872) 2.130 25.855 ( 2.146 0.000 2.561) 3.342 27.196 ( -1.766 0.000 1.387) 2.245 27.503 ( 0.826 0.000 -0.997) 1.295 28.281 ( 2.032 0.000 -0.266) 2.049 28.792 ( -16.620 0.000 45.558) 48.495 29.641 ( 0.997 0.000 0.115) 1.004 29.998 ( 1.146 0.000 1.307) 1.739 30.785 ( -0.743 0.000 -0.148) 0.758 30.884 ( 4.307 0.000 -17.675) 18.192 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 19.515 0.000 -0.862) 19.534 1.078 ( 16.824 0.000 13.210) 21.390 1.518 ( 25.806 0.000 -10.582) 27.891 1.893 ( 1.536 0.000 8.447) 8.586 2.206 ( 14.218 0.000 15.517) 21.046 2.304 ( -14.320 0.000 -0.702) 14.337 2.413 ( -13.596 0.000 -5.307) 14.595 2.720 ( 1.239 0.000 0.120) 1.245 2.780 ( 2.917 0.000 1.924) 3.495 3.017 ( -2.608 0.000 3.454) 4.328 3.141 ( -0.787 0.000 4.429) 4.499 3.208 ( 0.115 0.000 -2.389) 2.391 3.263 ( -2.121 0.000 -0.310) 2.143 3.364 ( -4.235 0.000 -3.886) 5.747 3.406 ( -3.860 0.000 -4.563) 5.977 3.667 ( 1.208 0.000 2.946) 3.184 3.785 ( -0.758 0.000 -0.374) 0.845 3.901 ( -0.470 0.000 5.983) 6.001 4.220 ( 0.971 0.000 -0.323) 1.023 4.306 ( 7.005 0.000 1.087) 7.089 4.661 ( -15.287 0.000 -6.015) 16.428 4.711 ( 7.048 0.000 0.650) 7.078 5.228 ( -6.616 0.000 -1.867) 6.874 5.232 ( -2.885 0.000 2.061) 3.546 5.486 ( 0.895 0.000 -1.513) 1.758 5.567 ( 1.759 0.000 2.460) 3.024 5.771 ( 0.925 0.000 -3.416) 3.539 5.806 ( 0.787 0.000 -1.151) 1.394 5.963 ( -1.547 0.000 3.958) 4.250 6.185 ( -10.353 0.000 -5.265) 11.614 6.414 ( -3.493 0.000 -1.265) 3.715 6.733 ( 2.767 0.000 -0.680) 2.849 6.793 ( -2.618 0.000 8.372) 8.771 7.227 ( -2.193 0.000 1.299) 2.549 7.455 ( 1.457 0.000 -12.290) 12.376 7.520 ( 0.103 0.000 2.396) 2.398 7.604 ( 8.722 0.000 4.599) 9.860 7.669 ( 8.396 0.000 2.820) 8.857 7.806 ( -1.354 0.000 -2.390) 2.747 8.003 ( 2.856 0.000 4.543) 5.366 8.465 ( -11.119 0.000 -6.635) 12.948 8.493 ( -2.974 0.000 9.462) 9.919 8.629 ( -5.348 0.000 2.731) 6.005 8.765 ( 9.522 0.000 -15.916) 18.547 8.804 ( 0.199 0.000 -1.911) 1.921 9.011 ( 2.190 0.000 -0.157) 2.196 9.104 ( 3.685 0.000 13.020) 13.532 9.556 ( -3.125 0.000 -7.373) 8.008 10.120 ( -3.065 0.000 1.033) 3.234 10.279 ( 8.579 0.000 -3.829) 9.394 10.696 ( -8.985 0.000 5.232) 10.397 10.832 ( -2.491 0.000 -0.856) 2.634 11.274 ( 4.387 0.000 0.204) 4.391 11.376 ( -5.401 0.000 -8.836) 10.356 11.585 ( 12.988 0.000 5.918) 14.273 11.616 ( 6.338 0.000 7.785) 10.039 11.904 ( -3.050 0.000 -6.863) 7.510 12.082 ( -5.121 0.000 -3.537) 6.224 12.421 ( -2.376 0.000 -0.568) 2.443 12.864 ( 2.598 0.000 8.658) 9.040 12.984 ( -13.530 0.000 -1.600) 13.624 13.130 ( 2.580 0.000 3.352) 4.230 13.501 ( -1.569 0.000 -13.989) 14.077 13.567 ( 0.342 0.000 3.574) 3.590 13.733 ( 0.348 0.000 -2.726) 2.748 13.753 ( -1.228 0.000 -3.452) 3.664 14.094 ( 3.583 0.000 0.211) 3.589 14.360 ( -1.394 0.000 4.637) 4.842 14.874 ( -0.061 0.000 -0.367) 0.372 14.905 ( 10.953 0.000 -0.738) 10.978 15.265 ( -2.462 0.000 2.704) 3.657 15.339 ( -0.114 0.000 7.079) 7.080 15.669 ( -6.690 0.000 -4.222) 7.911 15.938 ( -3.055 0.000 2.656) 4.048 16.320 ( -3.066 0.000 4.192) 5.193 16.430 ( 5.028 0.000 4.231) 6.571 16.441 ( 1.125 0.000 -0.631) 1.290 16.800 ( 3.238 0.000 0.213) 3.245 16.901 ( 3.533 0.000 -2.853) 4.541 17.206 ( -2.924 0.000 -2.311) 3.727 24.709 ( 6.096 0.000 0.388) 6.108 24.875 ( 0.285 0.000 3.671) 3.682 24.944 ( -4.789 0.000 -0.715) 4.842 24.962 ( 3.564 0.000 -17.596) 17.954 25.495 ( -1.558 0.000 -0.599) 1.669 25.587 ( -2.195 0.000 2.944) 3.672 25.824 ( 1.462 0.000 0.663) 1.605 25.907 ( 1.826 0.000 1.688) 2.487 27.169 ( -1.671 0.000 1.261) 2.094 27.514 ( 0.720 0.000 -0.874) 1.133 28.327 ( 2.849 0.000 -0.665) 2.926 28.714 ( -8.565 0.000 15.283) 17.519 29.662 ( 1.022 0.000 0.125) 1.030 30.029 ( 1.112 0.000 1.254) 1.676 30.768 ( -0.770 0.000 -0.156) 0.786 30.868 ( 0.983 0.000 -6.203) 6.281 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 0.000 -0.000) 0.000 1.272 ( 0.000 0.000 -0.000) 0.000 1.804 ( -0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 -0.000) 0.000 2.005 ( 0.000 0.000 -0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.984 ( -0.000 0.000 -0.000) 0.000 2.990 ( 0.000 0.000 -0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 -0.000) 0.000 3.297 ( 0.000 0.000 -0.000) 0.000 3.378 ( -0.000 0.000 -0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 -0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 -0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 -0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 -0.000) 0.000 5.763 ( 0.000 0.000 -0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 -0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 -0.000) 0.000 6.769 ( 0.000 0.000 -0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 -0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 -0.000) 0.000 7.665 ( 0.000 0.000 -0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.131 ( -0.000 0.000 -0.000) 0.000 8.487 ( 0.000 0.000 -0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 -0.000) 0.000 9.486 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 -0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 -0.000) 0.000 10.802 ( 0.000 0.000 -0.000) 0.000 11.297 ( 0.000 0.000 -0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.742 ( -0.000 0.000 -0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 -0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 -0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 -0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.727 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 -0.000) 0.000 14.340 ( 0.000 0.000 0.000) 0.000 14.874 ( 0.000 0.000 0.000) 0.000 15.071 ( -0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 -0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 -0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 -0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.491 ( 0.000 0.000 -0.000) 0.000 16.837 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 -0.000) 0.000 24.812 ( 0.000 0.000 0.000) 0.000 24.853 ( 0.000 0.000 -0.000) 0.000 24.892 ( 0.000 0.000 0.000) 0.000 24.944 ( 0.000 0.000 -0.000) 0.000 25.478 ( 0.000 0.000 0.000) 0.000 25.575 ( 0.000 0.000 -0.000) 0.000 25.840 ( 0.000 0.000 -0.000) 0.000 25.930 ( 0.000 0.000 0.000) 0.000 27.155 ( 0.000 0.000 0.000) 0.000 27.518 ( 0.000 0.000 0.000) 0.000 28.358 ( 0.000 0.000 -0.000) 0.000 28.668 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 0.000 -0.000) 0.000 30.044 ( 0.000 0.000 0.000) 0.000 30.760 ( 0.000 0.000 -0.000) 0.000 30.860 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 29.319 0.000) 29.319 0.691 ( 0.000 32.096 0.000) 32.096 1.212 ( 0.000 55.462 0.000) 55.462 2.005 ( 0.000 3.138 0.000) 3.138 2.207 ( 0.000 26.100 0.000) 26.100 2.609 ( 0.000 -0.886 0.000) 0.886 2.815 ( 0.000 3.863 0.000) 3.863 2.827 ( 0.000 14.173 0.000) 14.173 2.916 ( 0.000 6.452 0.000) 6.452 3.004 ( 0.000 0.849 0.000) 0.849 3.016 ( 0.000 1.632 0.000) 1.632 3.195 ( 0.000 -4.237 0.000) 4.237 3.348 ( 0.000 3.312 0.000) 3.312 3.436 ( 0.000 -0.588 0.000) 0.588 3.440 ( 0.000 -5.024 0.000) 5.024 3.521 ( 0.000 -7.562 0.000) 7.562 3.852 ( 0.000 6.147 0.000) 6.147 4.104 ( 0.000 -1.219 0.000) 1.219 4.203 ( 0.000 3.083 0.000) 3.083 4.525 ( 0.000 -0.801 0.000) 0.801 4.555 ( 0.000 18.515 0.000) 18.515 4.784 ( 0.000 -9.579 0.000) 9.579 5.217 ( 0.000 -15.553 0.000) 15.553 5.260 ( 0.000 -15.853 0.000) 15.853 5.434 ( 0.000 -9.299 0.000) 9.299 5.639 ( 0.000 7.412 0.000) 7.412 5.712 ( 0.000 1.294 0.000) 1.294 5.933 ( 0.000 1.884 0.000) 1.884 5.975 ( 0.000 -6.070 0.000) 6.070 6.189 ( 0.000 -0.340 0.000) 0.340 6.461 ( 0.000 -0.550 0.000) 0.550 6.555 ( 0.000 6.054 0.000) 6.054 6.807 ( 0.000 3.385 0.000) 3.385 7.149 ( 0.000 6.588 0.000) 6.588 7.352 ( 0.000 -8.631 0.000) 8.631 7.491 ( 0.000 -0.854 0.000) 0.854 7.600 ( 0.000 -3.170 0.000) 3.170 7.602 ( 0.000 -1.164 0.000) 1.164 7.795 ( 0.000 2.919 0.000) 2.919 8.131 ( 0.000 6.118 0.000) 6.118 8.307 ( 0.000 -11.290 0.000) 11.290 8.488 ( 0.000 -3.779 0.000) 3.779 8.584 ( 0.000 -2.323 0.000) 2.323 8.798 ( 0.000 8.139 0.000) 8.139 8.833 ( 0.000 -2.311 0.000) 2.311 9.002 ( 0.000 0.652 0.000) 0.652 9.161 ( 0.000 12.319 0.000) 12.319 9.675 ( 0.000 3.103 0.000) 3.103 10.060 ( 0.000 -4.929 0.000) 4.929 10.370 ( 0.000 6.303 0.000) 6.303 10.689 ( 0.000 -8.434 0.000) 8.434 10.885 ( 0.000 2.705 0.000) 2.705 11.107 ( 0.000 3.095 0.000) 3.095 11.146 ( 0.000 0.729 0.000) 0.729 11.277 ( 0.000 -3.890 0.000) 3.890 11.851 ( 0.000 0.917 0.000) 0.917 12.072 ( 0.000 3.285 0.000) 3.285 12.429 ( 0.000 -5.664 0.000) 5.664 12.769 ( 0.000 4.854 0.000) 4.854 12.896 ( 0.000 -3.725 0.000) 3.725 13.203 ( 0.000 -2.775 0.000) 2.775 13.272 ( 0.000 -14.271 0.000) 14.271 13.510 ( 0.000 2.736 0.000) 2.736 13.594 ( 0.000 5.316 0.000) 5.316 13.807 ( 0.000 -1.321 0.000) 1.321 13.847 ( 0.000 5.051 0.000) 5.051 14.071 ( 0.000 -6.398 0.000) 6.398 14.084 ( 0.000 -19.089 0.000) 19.089 14.302 ( 0.000 -2.538 0.000) 2.538 14.795 ( 0.000 6.697 0.000) 6.697 15.045 ( 0.000 9.684 0.000) 9.684 15.100 ( 0.000 -9.084 0.000) 9.084 15.519 ( 0.000 2.367 0.000) 2.367 16.036 ( 0.000 4.608 0.000) 4.608 16.309 ( 0.000 -8.449 0.000) 8.449 16.332 ( 0.000 15.763 0.000) 15.763 16.734 ( 0.000 -0.086 0.000) 0.086 16.762 ( 0.000 2.895 0.000) 2.895 17.016 ( 0.000 -0.200 0.000) 0.200 17.249 ( 0.000 -4.281 0.000) 4.281 24.733 ( 0.000 -1.176 0.000) 1.176 24.738 ( 0.000 0.180 0.000) 0.180 24.883 ( 0.000 3.001 0.000) 3.001 25.044 ( 0.000 0.266 0.000) 0.266 25.447 ( 0.000 -1.851 0.000) 1.851 25.622 ( 0.000 4.313 0.000) 4.313 25.739 ( 0.000 -4.372 0.000) 4.372 25.867 ( 0.000 1.483 0.000) 1.483 27.197 ( 0.000 -0.451 0.000) 0.451 27.437 ( 0.000 5.213 0.000) 5.213 27.672 ( 0.000 -3.305 0.000) 3.305 28.220 ( 0.000 -4.069 0.000) 4.069 29.922 ( 0.000 -4.796 0.000) 4.796 30.295 ( 0.000 -12.326 0.000) 12.326 31.015 ( 0.000 14.608 0.000) 14.608 31.499 ( 0.000 4.632 0.000) 4.632 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 10.110 16.076 2.655) 19.176 0.836 ( 13.992 21.825 14.241) 29.579 1.566 ( 25.483 43.943 -2.391) 50.854 2.028 ( 3.162 4.059 4.135) 6.601 2.188 ( -2.484 22.683 1.735) 22.884 2.581 ( -6.850 0.212 -0.572) 6.877 2.686 ( -5.083 3.807 -1.901) 6.629 2.797 ( -7.886 5.473 -2.384) 9.890 2.846 ( 0.343 11.027 0.330) 11.038 3.051 ( 1.494 3.664 6.179) 7.337 3.117 ( 6.042 1.128 1.455) 6.316 3.198 ( 0.039 -3.083 -0.663) 3.154 3.305 ( -3.814 4.346 -0.062) 5.783 3.407 ( -2.550 -2.484 -1.425) 3.835 3.483 ( 1.631 2.489 0.624) 3.040 3.513 ( 0.514 -10.388 2.437) 10.682 3.842 ( -5.153 4.426 0.447) 6.808 4.052 ( 2.526 -0.575 -0.218) 2.600 4.100 ( -6.543 6.156 -2.239) 9.258 4.530 ( -1.080 16.177 -0.046) 16.213 4.567 ( 3.532 -0.141 -1.492) 3.837 4.744 ( -5.646 -11.116 0.693) 12.487 5.150 ( -4.123 -12.718 4.545) 14.121 5.321 ( 1.382 -9.806 -0.389) 9.910 5.431 ( 0.670 -4.862 -5.192) 7.144 5.578 ( -4.295 4.509 6.124) 8.734 5.795 ( 1.855 0.012 -2.525) 3.133 5.819 ( 3.004 3.890 -5.872) 7.657 5.985 ( -5.885 -1.172 6.952) 9.183 6.332 ( -8.005 -4.660 -3.771) 10.000 6.453 ( 5.760 -7.212 11.034) 14.386 6.576 ( 2.598 -3.932 -3.891) 6.112 6.772 ( -0.530 4.685 1.055) 4.831 7.161 ( 6.599 3.990 -2.046) 7.978 7.317 ( -6.419 -5.773 -8.023) 11.785 7.375 ( 1.940 -3.968 0.749) 4.480 7.546 ( -0.805 -1.020 -2.221) 2.573 7.679 ( 0.790 1.604 2.771) 3.298 7.906 ( 4.344 1.863 6.546) 8.074 8.064 ( -3.016 8.680 -3.409) 9.801 8.418 ( 2.822 -8.259 5.823) 10.492 8.501 ( -0.265 -4.103 3.875) 5.650 8.626 ( 7.905 -4.269 -9.696) 13.218 8.748 ( -6.856 3.692 10.096) 12.750 8.877 ( 1.279 2.455 -2.953) 4.048 9.005 ( 2.217 3.198 -3.233) 5.060 9.157 ( -1.162 11.075 4.116) 11.872 9.653 ( -1.264 1.998 -3.679) 4.373 10.072 ( 2.003 -4.779 -1.771) 5.476 10.334 ( -2.376 7.317 -0.213) 7.696 10.649 ( -5.606 -10.555 1.789) 12.085 10.926 ( 1.968 -0.209 -1.607) 2.549 11.047 ( 0.053 0.037 -0.301) 0.308 11.218 ( 8.730 -1.277 0.358) 8.830 11.457 ( 9.153 -0.458 3.431) 9.786 11.785 ( -7.918 1.542 0.359) 8.074 12.000 ( -2.306 3.820 -5.147) 6.812 12.345 ( -6.574 1.176 -7.534) 10.068 12.550 ( -7.100 10.806 -11.768) 17.483 12.803 ( -8.445 -5.252 4.865) 11.071 13.053 ( -7.835 1.231 8.300) 11.480 13.236 ( -1.733 -5.974 2.228) 6.607 13.480 ( 3.575 2.868 0.391) 4.600 13.558 ( -8.962 -4.918 -5.184) 11.462 13.702 ( 0.442 1.250 -8.094) 8.202 13.877 ( 2.522 1.946 -4.720) 5.695 14.051 ( -0.086 -6.410 -2.350) 6.828 14.294 ( 1.724 2.032 2.731) 3.815 14.497 ( 13.597 -22.017 14.718) 29.770 14.839 ( 3.833 -2.347 -3.291) 5.571 14.955 ( -1.508 -3.863 -0.008) 4.147 15.286 ( -0.826 -2.732 9.044) 9.484 15.710 ( 15.472 -3.458 -0.362) 15.858 16.070 ( 1.355 4.855 5.539) 7.490 16.233 ( -4.675 5.542 4.999) 8.807 16.355 ( -1.065 3.234 0.417) 3.430 16.723 ( -2.400 2.414 -0.425) 3.430 16.797 ( 4.869 0.761 -4.038) 6.371 16.903 ( -3.064 7.045 -0.594) 7.706 17.280 ( 0.109 -0.697 -2.149) 2.261 24.659 ( 0.701 2.802 1.585) 3.295 24.855 ( 3.206 -1.296 -4.081) 5.349 24.916 ( 5.034 -1.268 -11.794) 12.886 25.047 ( 1.184 1.253 -5.744) 5.998 25.493 ( -0.006 -4.053 5.216) 6.605 25.614 ( -0.633 2.500 3.360) 4.235 25.730 ( -0.373 -3.003 0.129) 3.029 25.892 ( 1.689 1.159 1.912) 2.802 27.197 ( -1.390 -0.002 1.413) 1.982 27.507 ( 2.490 1.362 0.023) 2.838 27.873 ( 11.547 -22.559 10.776) 27.538 28.289 ( 5.741 -7.272 7.023) 11.626 29.823 ( -8.247 -2.073 -2.984) 9.012 30.311 ( 0.632 -10.387 3.349) 10.932 30.825 ( -15.615 25.448 -2.071) 29.928 31.304 ( -5.698 17.628 -7.619) 20.032 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 23.283 -2.418 0.779) 23.422 1.177 ( 11.198 12.052 14.699) 22.061 1.825 ( 5.247 17.230 -3.466) 18.341 2.113 ( -1.477 11.522 -4.114) 12.323 2.336 ( 19.968 18.748 10.512) 29.338 2.348 ( -12.601 5.327 -0.802) 13.704 2.553 ( -10.743 11.176 -3.433) 15.878 2.724 ( 1.659 0.459 2.470) 3.010 2.883 ( 1.491 7.731 -0.043) 7.874 3.093 ( -0.775 0.892 1.626) 2.010 3.153 ( -3.300 3.368 2.822) 5.495 3.220 ( -2.757 4.180 1.643) 5.270 3.257 ( 4.340 -0.011 2.024) 4.789 3.354 ( -1.117 0.824 -2.021) 2.452 3.472 ( -2.885 3.612 -4.261) 6.287 3.535 ( -0.705 -5.830 3.986) 7.098 3.722 ( -3.770 -3.136 -5.114) 7.085 3.982 ( -4.501 4.508 1.899) 6.648 4.183 ( 6.605 -2.254 3.163) 7.663 4.498 ( -3.322 -0.169 -4.589) 5.668 4.557 ( -3.720 5.892 -1.502) 7.128 4.695 ( 2.227 -2.997 3.473) 5.100 5.101 ( -4.295 -8.273 3.770) 10.055 5.288 ( -2.013 -0.206 -0.826) 2.186 5.419 ( 0.340 -4.877 -4.839) 6.879 5.589 ( 2.003 2.237 4.214) 5.174 5.766 ( -0.209 -2.464 -0.390) 2.504 5.863 ( -0.136 2.769 -4.261) 5.083 5.933 ( -1.918 -1.064 3.031) 3.741 6.131 ( -9.121 -2.655 -3.803) 10.232 6.478 ( -1.088 5.278 -1.056) 5.492 6.616 ( -0.034 -12.704 5.048) 13.670 6.767 ( -1.106 2.050 -0.385) 2.361 7.204 ( -2.127 -4.688 -4.399) 6.772 7.350 ( 10.398 -1.770 -5.052) 11.695 7.472 ( 3.753 -2.454 3.208) 5.513 7.605 ( 10.052 -3.205 3.745) 11.196 7.688 ( -0.136 3.324 2.138) 3.955 7.898 ( -1.936 6.133 -4.975) 8.131 8.076 ( 2.088 6.201 3.746) 7.539 8.378 ( -8.446 -6.714 -4.076) 11.534 8.505 ( -1.550 -1.189 4.831) 5.211 8.615 ( -6.313 0.348 2.121) 6.668 8.772 ( 3.775 -0.128 3.180) 4.937 8.853 ( 2.139 2.773 -11.803) 12.311 9.045 ( 1.489 2.779 1.457) 3.473 9.197 ( 1.909 7.343 11.127) 13.467 9.579 ( -3.214 1.479 -8.076) 8.817 10.107 ( 1.871 -1.911 -0.535) 2.728 10.329 ( 3.001 4.396 -2.162) 5.745 10.527 ( -7.970 -9.947 3.343) 13.177 10.916 ( -0.966 3.211 -1.254) 3.580 11.102 ( 3.930 -5.350 -0.131) 6.639 11.362 ( -1.037 -1.120 -3.046) 3.407 11.536 ( 8.388 0.172 2.447) 8.739 11.782 ( 4.039 1.320 8.290) 9.316 11.942 ( -3.374 1.246 -3.243) 4.842 12.193 ( -5.146 8.835 -5.969) 11.839 12.445 ( -2.362 3.403 -2.701) 4.946 12.674 ( -8.605 -12.089 1.197) 14.887 12.988 ( 0.152 -1.847 4.559) 4.922 13.244 ( -0.588 1.008 4.507) 4.656 13.347 ( -7.961 -7.860 -10.813) 15.559 13.563 ( 3.707 0.934 -1.303) 4.039 13.656 ( -1.932 0.511 -0.319) 2.024 13.864 ( -0.019 -1.679 -5.117) 5.385 14.100 ( 4.928 -2.195 1.569) 5.618 14.303 ( -2.808 -0.656 0.913) 3.025 14.755 ( 8.476 -13.842 8.471) 18.309 14.878 ( 0.672 -1.215 0.714) 1.562 14.983 ( 5.565 -9.005 -4.186) 11.383 15.232 ( -6.787 -3.815 2.957) 8.329 15.873 ( 5.170 3.505 -3.800) 7.311 16.085 ( -5.184 10.976 6.950) 13.987 16.224 ( 1.072 -0.816 3.591) 3.836 16.343 ( 0.152 2.430 2.211) 3.288 16.681 ( -1.134 3.886 0.391) 4.067 16.873 ( 4.283 -0.921 -3.221) 5.438 16.926 ( 3.896 9.270 0.339) 10.061 17.225 ( -3.792 1.680 -2.906) 5.065 24.725 ( 4.915 1.223 0.538) 5.093 24.875 ( 0.645 -1.208 -2.925) 3.230 24.916 ( -0.708 0.671 0.657) 1.176 25.017 ( 0.126 3.219 -8.785) 9.357 25.480 ( -1.537 -1.181 0.369) 1.973 25.626 ( -0.551 2.989 2.638) 4.024 25.740 ( 1.049 -5.453 0.236) 5.558 25.933 ( 1.436 0.799 1.502) 2.227 27.171 ( -1.662 0.303 0.947) 1.937 27.532 ( 0.892 1.795 -0.699) 2.123 28.031 ( 3.016 -22.431 2.871) 22.814 28.450 ( 4.768 -13.753 8.173) 16.694 29.666 ( -5.670 0.009 -2.691) 6.276 30.349 ( 1.265 -11.984 3.503) 12.549 30.603 ( -6.573 27.969 -3.168) 28.905 31.230 ( -1.075 16.424 -2.859) 16.706 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 -2.432 0.000) 2.432 1.318 ( 0.000 8.345 0.000) 8.345 1.856 ( -0.000 0.777 -0.000) 0.777 2.060 ( 0.000 15.006 0.000) 15.006 2.244 ( 0.000 4.022 0.000) 4.022 2.381 ( 0.000 19.186 0.000) 19.186 2.683 ( 0.000 15.291 -0.000) 15.291 2.748 ( 0.000 0.285 0.000) 0.285 2.925 ( 0.000 7.514 0.000) 7.514 2.942 ( -0.000 -2.846 -0.000) 2.846 3.135 ( 0.000 5.223 -0.000) 5.223 3.274 ( 0.000 9.841 0.000) 9.841 3.315 ( -0.000 3.054 -0.000) 3.054 3.319 ( 0.000 2.748 0.000) 2.748 3.368 ( -0.000 3.593 0.000) 3.593 3.594 ( -0.000 -7.776 -0.000) 7.776 3.637 ( 0.000 -7.522 0.000) 7.522 3.958 ( -0.000 -0.890 0.000) 0.890 4.264 ( 0.000 -2.555 0.000) 2.555 4.401 ( 0.000 -4.328 0.000) 4.328 4.536 ( 0.000 14.644 -0.000) 14.644 4.743 ( 0.000 -4.129 0.000) 4.129 5.057 ( 0.000 -6.371 0.000) 6.371 5.281 ( 0.000 4.044 -0.000) 4.044 5.393 ( 0.000 -8.651 -0.000) 8.651 5.644 ( 0.000 4.329 -0.000) 4.329 5.777 ( 0.000 -3.054 -0.000) 3.054 5.834 ( 0.000 1.382 0.000) 1.382 5.903 ( 0.000 -3.898 -0.000) 3.898 6.028 ( 0.000 0.728 -0.000) 0.728 6.463 ( 0.000 7.993 -0.000) 7.993 6.626 ( 0.000 -11.408 -0.000) 11.408 6.754 ( 0.000 -1.157 -0.000) 1.157 7.175 ( 0.000 -5.415 -0.000) 5.415 7.455 ( -0.000 -4.584 0.000) 4.584 7.479 ( 0.000 3.188 0.000) 3.188 7.709 ( -0.000 4.154 -0.000) 4.154 7.721 ( 0.000 3.370 0.000) 3.370 8.022 ( 0.000 -3.520 0.000) 3.520 8.076 ( -0.000 -3.893 -0.000) 3.893 8.151 ( -0.000 6.202 -0.000) 6.202 8.503 ( 0.000 -0.173 -0.000) 0.173 8.563 ( 0.000 -0.362 0.000) 0.362 8.799 ( 0.000 -0.132 0.000) 0.132 8.853 ( 0.000 2.905 -0.000) 2.905 9.060 ( 0.000 2.010 -0.000) 2.010 9.284 ( 0.000 5.373 -0.000) 5.373 9.500 ( 0.000 1.082 0.000) 1.082 10.124 ( 0.000 1.415 0.000) 1.415 10.398 ( 0.000 3.089 -0.000) 3.089 10.419 ( -0.000 -12.309 0.000) 12.309 10.901 ( 0.000 4.786 0.000) 4.786 11.146 ( 0.000 -6.362 -0.000) 6.362 11.298 ( 0.000 0.248 -0.000) 0.248 11.742 ( 0.000 -1.171 0.000) 1.171 11.809 ( 0.000 -4.011 -0.000) 4.011 11.878 ( -0.000 3.596 0.000) 3.596 12.117 ( 0.000 13.344 -0.000) 13.344 12.420 ( -0.000 2.268 0.000) 2.268 12.567 ( 0.000 -14.781 -0.000) 14.781 13.062 ( 0.000 -0.540 0.000) 0.540 13.190 ( 0.000 -16.864 -0.000) 16.864 13.257 ( 0.000 8.276 -0.000) 8.276 13.575 ( 0.000 -3.444 -0.000) 3.444 13.656 ( -0.000 3.952 -0.000) 3.952 13.847 ( 0.000 -2.389 0.000) 2.389 14.212 ( -0.000 -9.356 -0.000) 9.356 14.216 ( 0.000 6.299 0.000) 6.299 14.868 ( -0.000 -0.821 -0.000) 0.821 14.886 ( 0.000 -17.792 0.000) 17.792 15.085 ( -0.000 0.171 0.000) 0.171 15.108 ( 0.000 -8.467 -0.000) 8.467 15.925 ( -0.000 2.583 0.000) 2.583 16.019 ( 0.000 17.863 -0.000) 17.863 16.253 ( 0.000 -5.943 -0.000) 5.943 16.358 ( 0.000 4.888 -0.000) 4.888 16.675 ( 0.000 3.073 0.000) 3.073 16.902 ( 0.000 -1.800 0.000) 1.800 16.990 ( 0.000 13.616 0.000) 13.616 17.159 ( -0.000 -0.878 -0.000) 0.878 24.809 ( -0.000 -0.252 -0.000) 0.252 24.836 ( 0.000 -1.243 0.000) 1.243 24.920 ( 0.000 2.459 -0.000) 2.459 24.986 ( 0.000 3.668 0.000) 3.668 25.465 ( -0.000 -0.686 0.000) 0.686 25.625 ( 0.000 4.039 -0.000) 4.039 25.753 ( 0.000 -6.406 0.000) 6.406 25.952 ( 0.000 0.639 0.000) 0.639 27.157 ( 0.000 0.236 -0.000) 0.236 27.538 ( 0.000 1.853 0.000) 1.853 28.062 ( 0.000 -21.005 -0.000) 21.005 28.516 ( 0.000 -13.408 0.000) 13.408 29.606 ( 0.000 -0.806 -0.000) 0.806 30.377 ( 0.000 -18.341 -0.000) 18.341 30.533 ( 0.000 32.394 0.000) 32.394 31.213 ( 0.000 16.016 -0.000) 16.016 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 28.324 0.000) 28.324 1.325 ( 0.000 28.089 0.000) 28.089 2.049 ( 0.000 4.172 0.000) 4.172 2.271 ( 0.000 36.176 0.000) 36.176 2.546 ( 0.000 -2.437 0.000) 2.437 2.625 ( 0.000 9.942 0.000) 9.942 2.921 ( 0.000 -6.553 0.000) 6.553 2.940 ( 0.000 6.829 0.000) 6.829 3.035 ( 0.000 2.296 0.000) 2.296 3.069 ( 0.000 1.482 0.000) 1.482 3.148 ( 0.000 1.911 0.000) 1.911 3.199 ( 0.000 17.312 0.000) 17.312 3.311 ( 0.000 -0.936 0.000) 0.936 3.441 ( 0.000 3.906 0.000) 3.906 3.449 ( 0.000 4.675 0.000) 4.675 3.569 ( 0.000 8.900 0.000) 8.900 3.932 ( 0.000 0.797 0.000) 0.797 4.031 ( 0.000 -2.422 0.000) 2.422 4.379 ( 0.000 10.396 0.000) 10.396 4.506 ( 0.000 -7.120 0.000) 7.120 4.570 ( 0.000 -5.735 0.000) 5.735 4.849 ( 0.000 -17.621 0.000) 17.621 4.895 ( 0.000 -17.182 0.000) 17.182 4.959 ( 0.000 18.920 0.000) 18.920 5.153 ( 0.000 -16.758 0.000) 16.758 5.717 ( 0.000 0.488 0.000) 0.488 5.785 ( 0.000 6.606 0.000) 6.606 5.815 ( 0.000 -7.238 0.000) 7.238 6.007 ( 0.000 4.829 0.000) 4.829 6.183 ( 0.000 -0.029 0.000) 0.029 6.441 ( 0.000 -2.538 0.000) 2.538 6.672 ( 0.000 3.276 0.000) 3.276 6.937 ( 0.000 7.322 0.000) 7.322 7.084 ( 0.000 -13.865 0.000) 13.865 7.210 ( 0.000 -0.580 0.000) 0.580 7.479 ( 0.000 -2.460 0.000) 2.460 7.549 ( 0.000 -0.755 0.000) 0.755 7.573 ( 0.000 -1.758 0.000) 1.758 7.884 ( 0.000 5.253 0.000) 5.253 8.117 ( 0.000 -4.770 0.000) 4.770 8.307 ( 0.000 10.012 0.000) 10.012 8.401 ( 0.000 -4.564 0.000) 4.564 8.518 ( 0.000 -3.568 0.000) 3.568 8.842 ( 0.000 2.829 0.000) 2.829 8.931 ( 0.000 4.390 0.000) 4.390 8.993 ( 0.000 -2.535 0.000) 2.535 9.426 ( 0.000 12.120 0.000) 12.120 9.731 ( 0.000 1.934 0.000) 1.934 9.974 ( 0.000 -2.733 0.000) 2.733 10.455 ( 0.000 -13.143 0.000) 13.143 10.516 ( 0.000 7.756 0.000) 7.756 10.933 ( 0.000 0.393 0.000) 0.393 11.128 ( 0.000 -0.312 0.000) 0.312 11.192 ( 0.000 -3.513 0.000) 3.513 11.250 ( 0.000 9.273 0.000) 9.273 11.871 ( 0.000 -0.183 0.000) 0.183 12.136 ( 0.000 2.553 0.000) 2.553 12.324 ( 0.000 -4.054 0.000) 4.054 12.751 ( 0.000 -8.249 0.000) 8.249 12.872 ( 0.000 3.291 0.000) 3.291 12.983 ( 0.000 -10.621 0.000) 10.621 13.213 ( 0.000 0.975 0.000) 0.975 13.459 ( 0.000 -6.384 0.000) 6.384 13.581 ( 0.000 -19.056 0.000) 19.056 13.662 ( 0.000 -7.112 0.000) 7.112 13.727 ( 0.000 3.706 0.000) 3.706 13.984 ( 0.000 3.620 0.000) 3.620 14.161 ( 0.000 10.805 0.000) 10.805 14.253 ( 0.000 -2.062 0.000) 2.062 14.869 ( 0.000 -6.508 0.000) 6.508 14.964 ( 0.000 3.140 0.000) 3.140 15.182 ( 0.000 2.670 0.000) 2.670 15.611 ( 0.000 5.755 0.000) 5.755 16.059 ( 0.000 -6.975 0.000) 6.975 16.277 ( 0.000 10.354 0.000) 10.354 16.593 ( 0.000 6.519 0.000) 6.519 16.767 ( 0.000 -2.124 0.000) 2.124 16.777 ( 0.000 5.915 0.000) 5.915 17.025 ( 0.000 0.612 0.000) 0.612 17.111 ( 0.000 -8.850 0.000) 8.850 24.716 ( 0.000 -0.394 0.000) 0.394 24.739 ( 0.000 -0.194 0.000) 0.194 24.952 ( 0.000 3.358 0.000) 3.358 25.051 ( 0.000 0.274 0.000) 0.274 25.428 ( 0.000 0.187 0.000) 0.187 25.639 ( 0.000 -5.006 0.000) 5.006 25.715 ( 0.000 4.320 0.000) 4.320 25.879 ( 0.000 -0.338 0.000) 0.338 27.214 ( 0.000 2.339 0.000) 2.339 27.570 ( 0.000 7.246 0.000) 7.246 27.573 ( 0.000 -5.966 0.000) 5.966 28.095 ( 0.000 -7.692 0.000) 7.692 29.832 ( 0.000 -2.910 0.000) 2.910 30.062 ( 0.000 -9.623 0.000) 9.623 31.308 ( 0.000 12.605 0.000) 12.605 31.593 ( 0.000 3.481 0.000) 3.481 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -7.752 27.067 -2.807) 28.295 1.338 ( 4.416 23.882 9.588) 26.111 2.022 ( -3.491 2.109 1.613) 4.386 2.370 ( -0.860 5.043 -4.525) 6.830 2.600 ( 10.137 21.332 2.321) 23.732 2.626 ( -1.576 12.029 3.252) 12.560 2.762 ( -6.313 3.168 -2.998) 7.673 2.931 ( -4.023 2.538 -5.023) 6.917 2.970 ( -4.082 -0.514 -4.907) 6.404 3.052 ( 1.798 0.075 1.417) 2.291 3.171 ( 1.146 3.119 2.549) 4.188 3.245 ( -2.188 3.822 -0.851) 4.485 3.357 ( 2.423 3.091 5.408) 6.684 3.420 ( 0.077 5.413 -2.071) 5.796 3.485 ( 6.770 9.021 1.746) 11.414 3.615 ( 1.746 10.483 3.493) 11.187 3.891 ( -9.781 1.124 -2.341) 10.120 4.013 ( 5.369 -1.459 -3.300) 6.469 4.282 ( -7.130 7.275 -2.233) 10.428 4.438 ( -8.526 -11.262 -5.312) 15.092 4.545 ( 1.125 -2.013 4.629) 5.172 4.800 ( -5.346 -11.498 7.508) 14.736 4.973 ( 1.917 11.336 2.464) 11.758 5.045 ( 8.266 -14.094 2.446) 16.521 5.222 ( 6.110 -12.846 -3.926) 14.757 5.674 ( -4.802 3.806 3.150) 6.890 5.780 ( -1.061 -5.486 0.454) 5.606 5.828 ( 2.374 2.672 -3.746) 5.178 5.988 ( -3.675 3.655 5.559) 7.601 6.225 ( 2.557 -2.401 -3.183) 4.736 6.360 ( -4.437 -3.095 -2.138) 5.817 6.657 ( -2.508 4.058 -6.302) 7.904 6.906 ( 0.459 5.520 -0.377) 5.552 7.063 ( 1.101 -10.376 -2.672) 10.771 7.204 ( 1.188 -1.178 -4.226) 4.545 7.387 ( -2.374 -0.411 3.872) 4.560 7.542 ( 0.093 1.631 -5.829) 6.054 7.702 ( 4.505 1.722 6.779) 8.320 7.958 ( 3.922 2.318 7.689) 8.937 8.190 ( -0.944 -6.730 2.581) 7.270 8.320 ( 3.874 10.519 0.749) 11.234 8.417 ( 1.945 -4.269 4.658) 6.611 8.525 ( 3.505 -4.881 -5.453) 8.115 8.801 ( -5.150 2.994 3.982) 7.165 8.930 ( -0.543 1.668 -3.725) 4.117 9.041 ( 3.613 -1.179 1.531) 4.098 9.398 ( -3.082 11.006 1.897) 11.586 9.685 ( -3.369 0.968 -3.768) 5.147 9.991 ( 2.487 -2.333 -0.901) 3.526 10.390 ( -6.220 -8.680 2.018) 10.868 10.525 ( 0.863 5.525 -1.788) 5.871 10.932 ( 0.486 -0.521 -2.105) 2.222 11.111 ( -0.488 4.241 0.460) 4.294 11.207 ( 6.224 0.300 -0.806) 6.284 11.443 ( 11.650 0.508 6.295) 13.252 11.795 ( -9.061 0.021 -1.517) 9.187 12.050 ( -6.275 1.276 -2.203) 6.772 12.297 ( -1.722 -3.014 -1.431) 3.754 12.602 ( -10.513 -8.294 -2.231) 13.575 12.784 ( -6.568 7.546 -6.001) 11.666 12.961 ( -3.333 -13.562 -5.084) 14.862 13.095 ( -7.271 -2.315 0.704) 7.663 13.460 ( -0.644 -3.744 0.287) 3.809 13.535 ( -2.491 -8.040 5.872) 10.263 13.619 ( -2.830 -7.107 -7.348) 10.607 13.771 ( 2.365 -2.032 -2.481) 3.985 14.021 ( 2.795 5.906 0.592) 6.560 14.288 ( 6.639 -0.111 4.460) 7.999 14.380 ( 11.459 3.687 8.089) 14.503 14.858 ( -0.662 -6.017 -0.924) 6.124 14.873 ( -2.788 4.009 -6.099) 7.813 15.216 ( -2.773 -3.769 4.726) 6.651 15.755 ( 11.884 5.056 4.169) 13.571 16.133 ( 4.477 -6.615 5.902) 9.932 16.244 ( -2.566 10.544 1.437) 10.947 16.548 ( -4.530 6.125 -2.472) 8.009 16.739 ( -1.196 -1.923 -2.547) 3.408 16.820 ( 3.561 5.508 1.266) 6.680 16.975 ( 0.135 -0.314 -1.494) 1.532 17.218 ( 5.991 -4.563 -1.169) 7.621 24.702 ( 0.771 1.455 0.909) 1.881 24.803 ( 4.830 -2.400 -5.259) 7.533 24.956 ( 0.121 3.331 1.317) 3.583 25.070 ( 2.086 0.854 -1.791) 2.879 25.438 ( 0.206 -0.926 2.719) 2.880 25.617 ( -1.419 -3.593 -0.253) 3.871 25.725 ( 0.229 3.315 0.838) 3.427 25.896 ( 1.251 -0.699 1.224) 1.885 27.211 ( -0.754 1.903 0.449) 2.096 27.578 ( 0.761 2.134 -0.507) 2.322 27.596 ( 2.284 -5.553 0.542) 6.029 28.115 ( 1.373 -9.560 2.562) 9.992 29.779 ( -4.568 -1.107 -1.509) 4.937 30.064 ( -0.003 -10.375 0.509) 10.387 31.257 ( -5.030 15.910 0.541) 16.695 31.546 ( -3.008 6.624 -2.465) 7.681 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 9.391 13.272 0.307) 16.261 1.483 ( 1.158 14.251 10.532) 17.758 1.955 ( -2.815 1.064 1.650) 3.432 2.289 ( -2.947 4.810 -2.476) 6.161 2.418 ( -12.295 1.684 -1.692) 12.525 2.660 ( -2.456 -0.923 1.345) 2.949 2.809 ( -5.065 5.364 -5.764) 9.362 2.878 ( 3.667 10.773 0.559) 11.394 2.937 ( 1.109 -6.285 -1.772) 6.623 3.095 ( -0.048 8.201 -2.007) 8.443 3.214 ( 9.969 8.915 1.881) 13.505 3.250 ( 3.009 2.844 2.420) 4.796 3.400 ( 0.447 4.599 4.743) 6.621 3.431 ( 2.458 9.248 -3.102) 10.059 3.630 ( 1.455 11.815 -0.118) 11.905 3.653 ( 1.148 10.585 -0.631) 10.666 3.669 ( -8.309 3.998 -1.690) 9.374 4.056 ( -0.790 1.672 -4.003) 4.409 4.151 ( -5.383 -1.706 3.519) 6.654 4.288 ( -3.656 -8.156 -4.697) 10.097 4.586 ( -0.055 -5.953 4.044) 7.197 4.773 ( -1.281 -2.964 8.771) 9.347 4.992 ( -1.521 3.475 -0.111) 3.795 5.163 ( 3.837 -6.768 1.509) 7.925 5.288 ( 3.396 -10.855 -6.474) 13.088 5.670 ( 2.514 3.274 5.064) 6.534 5.697 ( -5.047 -1.041 0.668) 5.197 5.845 ( -0.870 -1.975 -0.951) 2.358 5.951 ( -4.212 2.752 0.163) 5.033 6.138 ( -3.248 1.921 -3.756) 5.324 6.380 ( 1.909 -6.486 1.900) 7.024 6.608 ( 1.426 5.061 -1.574) 5.488 6.883 ( -1.683 3.219 -4.665) 5.912 7.055 ( -3.000 -2.752 -3.738) 5.527 7.280 ( 7.958 -5.893 -2.429) 10.196 7.439 ( 4.840 -1.970 2.512) 5.798 7.581 ( 6.574 0.518 2.755) 7.146 7.786 ( 1.598 6.069 6.516) 9.047 8.018 ( 0.327 5.058 -3.050) 5.915 8.128 ( -5.423 -5.930 1.648) 8.203 8.331 ( -0.692 6.212 -1.602) 6.453 8.458 ( -0.426 -1.947 0.505) 2.056 8.628 ( 0.352 -0.820 1.253) 1.538 8.746 ( 0.523 -0.616 9.690) 9.724 8.888 ( 0.285 0.737 -8.861) 8.896 9.078 ( -0.525 -1.183 1.895) 2.295 9.361 ( -2.056 7.693 5.517) 9.688 9.591 ( -3.449 -0.336 -6.799) 7.632 10.055 ( 4.685 -2.111 -1.623) 5.389 10.273 ( -6.993 -7.813 2.143) 10.702 10.531 ( 0.524 8.198 -0.762) 8.250 10.938 ( 1.457 -0.812 -2.196) 2.758 11.137 ( 2.003 6.560 1.594) 7.042 11.356 ( 5.106 0.998 0.547) 5.231 11.544 ( -1.915 0.278 -3.786) 4.251 11.727 ( 6.575 -4.280 5.491) 9.576 11.940 ( -4.934 -1.139 0.187) 5.067 12.277 ( 0.058 -0.638 1.024) 1.208 12.400 ( -10.590 -9.793 -0.934) 14.454 12.610 ( -7.549 7.272 -7.009) 12.609 12.843 ( -4.564 -15.016 -2.977) 15.974 13.001 ( -3.181 -8.848 -2.196) 9.655 13.424 ( -1.565 2.763 2.043) 3.776 13.519 ( -2.569 -8.635 -4.932) 10.271 13.612 ( 3.517 -2.123 5.751) 7.067 13.765 ( -0.567 -3.022 -4.799) 5.699 14.077 ( 2.235 4.333 2.119) 5.316 14.379 ( 1.712 4.844 0.059) 5.138 14.628 ( 8.260 0.650 7.950) 11.483 14.843 ( -0.272 -2.638 -0.385) 2.680 14.858 ( 4.050 -3.657 -4.406) 7.013 15.137 ( -6.509 -5.224 1.825) 8.543 15.974 ( 8.399 6.112 2.396) 10.660 16.167 ( -1.676 1.059 3.374) 3.913 16.274 ( -0.195 3.068 4.153) 5.167 16.454 ( -1.277 4.268 -1.596) 4.732 16.712 ( -0.724 0.201 -1.910) 2.053 16.874 ( 1.461 1.852 -0.737) 2.471 17.037 ( 6.035 1.384 0.544) 6.216 17.264 ( -0.033 1.120 -2.370) 2.621 24.748 ( 3.275 0.901 0.242) 3.405 24.833 ( 0.999 -2.094 -3.706) 4.373 24.974 ( 0.406 4.005 3.303) 5.208 25.084 ( 0.926 2.900 -4.252) 5.229 25.452 ( -0.191 -1.279 1.541) 2.011 25.606 ( 0.047 -4.945 0.959) 5.037 25.725 ( -0.373 3.994 0.177) 4.016 25.928 ( 1.150 -1.252 1.202) 2.082 27.189 ( -1.426 1.784 0.068) 2.285 27.589 ( 0.540 2.326 -0.414) 2.424 27.646 ( 2.268 -12.350 0.356) 12.562 28.161 ( 1.587 -13.862 2.721) 14.216 29.683 ( -4.073 1.939 -1.419) 4.729 30.064 ( -0.245 -11.434 0.378) 11.443 31.168 ( -3.887 21.222 0.336) 21.577 31.491 ( -1.531 8.435 -1.587) 8.719 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 5.580 0.000) 5.580 1.443 ( 0.000 3.616 0.000) 3.616 1.960 ( -0.000 7.812 0.000) 7.812 2.247 ( 0.000 4.871 -0.000) 4.871 2.291 ( 0.000 2.076 -0.000) 2.076 2.625 ( 0.000 -0.264 0.000) 0.264 2.734 ( 0.000 -0.553 0.000) 0.553 2.907 ( -0.000 -10.146 -0.000) 10.146 2.938 ( 0.000 3.235 0.000) 3.235 3.058 ( -0.000 4.620 0.000) 4.620 3.340 ( -0.000 20.025 0.000) 20.025 3.363 ( 0.000 2.550 -0.000) 2.550 3.413 ( 0.000 3.242 0.000) 3.242 3.456 ( 0.000 -0.346 0.000) 0.346 3.567 ( 0.000 12.911 -0.000) 12.911 3.609 ( -0.000 15.619 0.000) 15.619 3.652 ( 0.000 15.731 0.000) 15.731 4.015 ( -0.000 7.282 0.000) 7.282 4.134 ( 0.000 -8.234 0.000) 8.234 4.239 ( 0.000 -9.526 -0.000) 9.526 4.588 ( 0.000 -10.753 0.000) 10.753 4.806 ( 0.000 6.057 -0.000) 6.057 4.957 ( 0.000 -3.886 0.000) 3.886 5.222 ( 0.000 -2.375 -0.000) 2.375 5.281 ( 0.000 -8.119 0.000) 8.119 5.645 ( 0.000 -4.313 0.000) 4.313 5.791 ( 0.000 -6.200 0.000) 6.200 5.792 ( -0.000 8.893 -0.000) 8.893 5.858 ( 0.000 1.143 0.000) 1.143 6.113 ( 0.000 5.139 -0.000) 5.139 6.405 ( 0.000 -6.717 -0.000) 6.717 6.638 ( 0.000 5.412 -0.000) 5.412 6.837 ( 0.000 7.913 -0.000) 7.913 7.003 ( 0.000 -7.435 -0.000) 7.435 7.364 ( 0.000 -4.672 0.000) 4.672 7.471 ( 0.000 -3.882 -0.000) 3.882 7.759 ( 0.000 -2.753 0.000) 2.753 7.828 ( -0.000 4.820 -0.000) 4.820 7.998 ( 0.000 4.591 -0.000) 4.591 8.010 ( -0.000 -0.652 0.000) 0.652 8.323 ( 0.000 9.027 0.000) 9.027 8.452 ( 0.000 -4.088 -0.000) 4.088 8.594 ( -0.000 2.561 -0.000) 2.561 8.796 ( 0.000 -0.446 0.000) 0.446 8.879 ( 0.000 -0.763 -0.000) 0.763 9.073 ( 0.000 -1.839 -0.000) 1.839 9.377 ( 0.000 3.951 -0.000) 3.951 9.519 ( -0.000 0.559 0.000) 0.559 10.119 ( 0.000 -1.468 -0.000) 1.468 10.188 ( -0.000 -8.432 0.000) 8.432 10.534 ( 0.000 9.007 0.000) 9.007 10.949 ( -0.000 -0.322 0.000) 0.322 11.172 ( 0.000 8.113 -0.000) 8.113 11.320 ( 0.000 2.175 -0.000) 2.175 11.664 ( 0.000 -7.900 0.000) 7.900 11.736 ( -0.000 -0.111 0.000) 0.111 11.921 ( -0.000 0.353 0.000) 0.353 12.271 ( 0.000 -12.755 -0.000) 12.755 12.296 ( 0.000 2.114 -0.000) 2.114 12.494 ( 0.000 3.826 0.000) 3.826 12.792 ( 0.000 -18.954 0.000) 18.954 12.964 ( -0.000 -6.984 0.000) 6.984 13.424 ( 0.000 5.875 -0.000) 5.875 13.474 ( 0.000 -7.058 0.000) 7.058 13.703 ( -0.000 -5.390 -0.000) 5.390 13.708 ( 0.000 -1.363 0.000) 1.363 14.108 ( 0.000 2.440 0.000) 2.440 14.383 ( 0.000 8.621 -0.000) 8.621 14.730 ( 0.000 -1.553 0.000) 1.553 14.838 ( 0.000 -1.791 0.000) 1.791 14.923 ( -0.000 -7.428 -0.000) 7.428 15.049 ( 0.000 -3.547 0.000) 3.547 16.062 ( -0.000 10.066 0.000) 10.066 16.191 ( 0.000 -0.813 0.000) 0.813 16.220 ( 0.000 2.871 -0.000) 2.871 16.473 ( -0.000 3.790 0.000) 3.790 16.695 ( 0.000 0.410 0.000) 0.410 16.882 ( 0.000 -0.194 0.000) 0.194 17.129 ( 0.000 -1.042 0.000) 1.042 17.229 ( -0.000 7.052 0.000) 7.052 24.802 ( -0.000 -0.393 -0.000) 0.393 24.811 ( 0.000 -1.034 0.000) 1.034 24.992 ( 0.000 4.327 -0.000) 4.327 25.075 ( 0.000 4.209 0.000) 4.209 25.452 ( -0.000 -0.691 0.000) 0.691 25.613 ( 0.000 -6.504 0.000) 6.504 25.721 ( 0.000 4.775 0.000) 4.775 25.942 ( 0.000 -1.455 0.000) 1.455 27.174 ( 0.000 1.719 -0.000) 1.719 27.593 ( 0.000 2.463 0.000) 2.463 27.669 ( 0.000 -14.497 -0.000) 14.497 28.186 ( 0.000 -16.200 0.000) 16.200 29.638 ( 0.000 3.263 -0.000) 3.263 30.062 ( 0.000 -11.841 0.000) 11.841 31.133 ( 0.000 22.943 -0.000) 22.943 31.473 ( 0.000 8.663 -0.000) 8.663 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 21.753 0.000) 21.753 1.849 ( 0.000 21.682 0.000) 21.682 2.011 ( 0.000 -8.343 0.000) 8.343 2.238 ( 0.000 -15.935 0.000) 15.935 2.689 ( 0.000 -0.221 0.000) 0.221 2.716 ( 0.000 -3.253 0.000) 3.253 3.033 ( 0.000 2.113 0.000) 2.113 3.062 ( 0.000 -1.001 0.000) 1.001 3.100 ( 0.000 22.352 0.000) 22.352 3.108 ( 0.000 5.428 0.000) 5.428 3.236 ( 0.000 -5.082 0.000) 5.082 3.278 ( 0.000 7.129 0.000) 7.129 3.378 ( 0.000 0.072 0.000) 0.072 3.433 ( 0.000 -7.541 0.000) 7.541 3.732 ( 0.000 20.026 0.000) 20.026 3.937 ( 0.000 24.237 0.000) 24.237 3.957 ( 0.000 2.544 0.000) 2.544 4.039 ( 0.000 2.070 0.000) 2.070 4.202 ( 0.000 -18.197 0.000) 18.197 4.394 ( 0.000 -13.797 0.000) 13.797 4.419 ( 0.000 -6.506 0.000) 6.506 4.548 ( 0.000 -19.126 0.000) 19.126 4.721 ( 0.000 7.398 0.000) 7.398 4.875 ( 0.000 -7.187 0.000) 7.187 5.317 ( 0.000 15.058 0.000) 15.058 5.592 ( 0.000 -11.181 0.000) 11.181 5.863 ( 0.000 7.861 0.000) 7.861 5.907 ( 0.000 3.901 0.000) 3.901 6.106 ( 0.000 4.136 0.000) 4.136 6.170 ( 0.000 -1.688 0.000) 1.688 6.397 ( 0.000 0.930 0.000) 0.930 6.568 ( 0.000 -12.459 0.000) 12.459 6.946 ( 0.000 1.820 0.000) 1.820 7.015 ( 0.000 -1.603 0.000) 1.603 7.210 ( 0.000 3.434 0.000) 3.434 7.346 ( 0.000 -8.238 0.000) 8.238 7.560 ( 0.000 0.965 0.000) 0.965 7.566 ( 0.000 0.428 0.000) 0.428 8.010 ( 0.000 6.316 0.000) 6.316 8.093 ( 0.000 -0.494 0.000) 0.494 8.318 ( 0.000 -1.811 0.000) 1.811 8.366 ( 0.000 -4.437 0.000) 4.437 8.612 ( 0.000 12.635 0.000) 12.635 8.865 ( 0.000 -9.867 0.000) 9.867 8.919 ( 0.000 3.733 0.000) 3.733 8.970 ( 0.000 -0.651 0.000) 0.651 9.639 ( 0.000 7.768 0.000) 7.768 9.740 ( 0.000 -1.826 0.000) 1.826 9.986 ( 0.000 4.986 0.000) 4.986 10.178 ( 0.000 -12.311 0.000) 12.311 10.697 ( 0.000 9.232 0.000) 9.232 10.870 ( 0.000 -6.336 0.000) 6.336 11.124 ( 0.000 0.181 0.000) 0.181 11.141 ( 0.000 -1.508 0.000) 1.508 11.506 ( 0.000 14.137 0.000) 14.137 11.776 ( 0.000 -9.744 0.000) 9.744 12.188 ( 0.000 2.879 0.000) 2.879 12.253 ( 0.000 -3.102 0.000) 3.102 12.641 ( 0.000 -0.868 0.000) 0.868 12.723 ( 0.000 -8.136 0.000) 8.136 13.045 ( 0.000 7.465 0.000) 7.465 13.165 ( 0.000 -4.131 0.000) 4.131 13.274 ( 0.000 -7.760 0.000) 7.760 13.296 ( 0.000 -7.731 0.000) 7.731 13.659 ( 0.000 5.035 0.000) 5.035 13.756 ( 0.000 -2.372 0.000) 2.372 14.070 ( 0.000 4.807 0.000) 4.807 14.170 ( 0.000 -4.258 0.000) 4.258 14.430 ( 0.000 12.270 0.000) 12.270 14.670 ( 0.000 -10.609 0.000) 10.609 15.077 ( 0.000 5.461 0.000) 5.461 15.171 ( 0.000 -3.085 0.000) 3.085 15.743 ( 0.000 6.711 0.000) 6.711 15.893 ( 0.000 -7.735 0.000) 7.735 16.566 ( 0.000 14.780 0.000) 14.780 16.652 ( 0.000 1.601 0.000) 1.601 16.709 ( 0.000 -2.443 0.000) 2.443 16.875 ( 0.000 -11.666 0.000) 11.666 16.933 ( 0.000 4.860 0.000) 4.860 17.015 ( 0.000 -1.990 0.000) 1.990 24.717 ( 0.000 0.424 0.000) 0.424 24.730 ( 0.000 -0.643 0.000) 0.643 25.014 ( 0.000 2.413 0.000) 2.413 25.048 ( 0.000 -0.755 0.000) 0.755 25.458 ( 0.000 2.715 0.000) 2.715 25.537 ( 0.000 -4.579 0.000) 4.579 25.797 ( 0.000 3.403 0.000) 3.403 25.854 ( 0.000 -2.030 0.000) 2.030 27.298 ( 0.000 5.537 0.000) 5.537 27.434 ( 0.000 -7.024 0.000) 7.024 27.734 ( 0.000 8.348 0.000) 8.348 27.916 ( 0.000 -8.932 0.000) 8.932 29.819 ( 0.000 1.699 0.000) 1.699 29.899 ( 0.000 -5.867 0.000) 5.867 31.522 ( 0.000 7.571 0.000) 7.571 31.618 ( 0.000 -1.527 0.000) 1.527 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -11.563 21.504 -2.860) 24.583 1.780 ( -4.657 15.140 5.710) 16.838 1.973 ( -3.461 -4.655 1.324) 5.950 2.199 ( -1.506 -14.571 3.602) 15.085 2.659 ( -4.866 0.830 -1.939) 5.303 2.714 ( -3.012 -4.732 -0.386) 5.622 2.908 ( -6.227 4.437 -5.510) 9.424 2.975 ( -4.845 -0.903 -7.009) 8.568 3.081 ( -3.717 5.391 -0.635) 6.578 3.152 ( 0.069 -1.396 -1.445) 2.011 3.249 ( -2.354 4.353 2.536) 5.561 3.300 ( 3.636 6.712 -4.877) 9.059 3.394 ( 9.129 5.659 2.037) 10.932 3.575 ( 13.118 -3.970 -2.933) 14.016 3.730 ( -0.164 18.023 0.943) 18.048 3.880 ( -3.829 9.432 -0.230) 10.182 3.968 ( -5.676 6.157 1.106) 8.447 4.053 ( 3.472 8.667 -1.798) 9.508 4.111 ( -5.416 -13.018 -2.336) 14.292 4.347 ( -3.430 -10.716 0.365) 11.258 4.492 ( 5.146 -2.507 6.520) 8.677 4.641 ( 2.029 -3.786 4.678) 6.351 4.729 ( 2.663 -7.116 2.847) 8.114 4.882 ( 0.304 -11.162 2.793) 11.510 5.344 ( 2.155 13.689 -1.985) 13.999 5.583 ( -0.727 -9.380 -1.153) 9.478 5.828 ( -2.143 6.301 3.939) 7.734 5.887 ( -2.964 1.174 -0.350) 3.207 6.107 ( -1.090 5.807 -0.139) 5.910 6.183 ( 1.511 -2.438 -4.246) 5.124 6.337 ( -2.383 3.735 -3.613) 5.717 6.553 ( -0.682 -12.860 -4.990) 13.811 6.935 ( -1.006 3.582 -3.363) 5.015 7.022 ( 2.860 -2.272 3.163) 4.832 7.197 ( 0.117 3.394 -0.791) 3.487 7.311 ( 1.158 -5.823 2.456) 6.425 7.639 ( 2.474 6.306 0.247) 6.778 7.731 ( 8.354 -0.973 4.979) 9.774 7.985 ( 0.011 1.656 9.340) 9.486 8.062 ( -4.042 -4.627 1.239) 6.267 8.353 ( 3.103 -0.168 -0.165) 3.112 8.409 ( 3.581 -4.373 -1.410) 5.826 8.618 ( 0.843 13.738 1.303) 13.825 8.842 ( -5.048 -3.297 6.125) 8.595 8.928 ( 1.595 -1.051 -4.630) 5.009 8.962 ( 1.030 -3.253 -3.505) 4.891 9.591 ( -4.472 6.979 -0.695) 8.317 9.683 ( -4.754 -1.855 -2.999) 5.919 10.008 ( 2.072 4.539 0.344) 5.001 10.171 ( -1.362 -10.137 0.986) 10.275 10.698 ( 0.805 9.139 -1.022) 9.231 10.866 ( 0.255 -5.989 -1.471) 6.172 11.167 ( 4.568 1.566 0.582) 4.863 11.202 ( 6.442 -1.555 -0.488) 6.645 11.557 ( 3.417 9.899 5.604) 11.877 11.747 ( -5.106 -6.002 2.275) 8.202 12.089 ( -8.740 3.734 -3.513) 10.132 12.209 ( -4.260 -6.187 -1.010) 7.579 12.505 ( -8.928 1.285 -3.681) 9.742 12.652 ( -5.358 -11.783 -5.206) 13.952 12.948 ( -7.359 5.200 -8.539) 12.414 13.029 ( -8.593 -3.641 -7.479) 11.960 13.312 ( 2.128 -4.287 5.435) 7.242 13.356 ( 2.804 -5.695 5.191) 8.200 13.638 ( -1.277 4.425 -1.172) 4.752 13.735 ( -1.560 -3.483 -0.971) 3.938 14.169 ( 6.255 6.379 1.871) 9.127 14.263 ( 7.207 -2.703 2.416) 8.068 14.512 ( 6.597 8.188 6.428) 12.324 14.694 ( 1.466 -8.713 3.017) 9.336 14.994 ( -4.893 6.413 -5.840) 9.958 15.121 ( -4.610 -5.407 -1.574) 7.278 15.869 ( 9.469 5.648 6.666) 12.884 15.993 ( 7.129 -6.304 6.765) 11.676 16.481 ( -5.728 9.691 -0.528) 11.269 16.591 ( -6.749 -1.345 -2.308) 7.258 16.719 ( 2.847 2.650 -4.352) 5.837 16.860 ( -0.022 -7.268 -2.964) 7.849 16.995 ( 5.395 6.495 2.091) 8.698 17.118 ( 7.499 -5.030 0.827) 9.067 24.729 ( 1.732 1.324 -0.365) 2.211 24.761 ( 2.921 -1.731 -1.989) 3.934 25.027 ( 0.872 3.054 1.862) 3.681 25.071 ( 2.071 -1.014 0.728) 2.418 25.453 ( -0.610 2.301 0.603) 2.455 25.526 ( -0.987 -4.340 0.002) 4.451 25.802 ( 0.381 3.514 0.498) 3.570 25.864 ( 0.767 -2.296 0.726) 2.527 27.287 ( -0.871 5.286 -1.027) 5.455 27.423 ( -0.514 -7.426 -1.679) 7.631 27.725 ( -0.709 7.894 -0.231) 7.929 27.909 ( -0.827 -9.618 0.699) 9.679 29.795 ( -2.191 2.696 -0.301) 3.487 29.890 ( -0.937 -6.380 0.207) 6.452 31.509 ( -1.365 8.271 0.354) 8.390 31.605 ( -1.098 -0.877 -0.467) 1.481 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -4.671 15.914 -1.646) 16.667 1.626 ( -11.897 -3.689 1.920) 12.603 2.035 ( 6.181 8.819 6.402) 12.528 2.246 ( 1.918 -8.423 6.048) 10.545 2.476 ( -10.084 4.572 -3.592) 11.640 2.599 ( -7.598 -5.863 -0.352) 9.604 2.764 ( -5.969 -1.439 -5.413) 8.185 2.813 ( -7.475 -3.683 -8.090) 11.615 3.019 ( -0.946 5.796 0.341) 5.882 3.124 ( -3.233 -2.660 -0.968) 4.297 3.260 ( 4.130 2.219 -0.179) 4.692 3.339 ( 3.419 -3.587 -1.440) 5.161 3.647 ( 10.822 10.916 -6.956) 16.872 3.706 ( -2.723 6.154 -4.105) 7.883 3.729 ( 1.578 13.225 -0.389) 13.325 3.857 ( 9.153 3.739 -2.133) 10.115 3.906 ( -2.929 3.367 6.274) 7.700 3.952 ( -6.939 -6.379 2.448) 9.738 4.152 ( 4.867 6.244 0.612) 7.940 4.267 ( -4.769 -2.106 -0.061) 5.214 4.561 ( -9.945 7.944 4.052) 13.358 4.662 ( 7.307 0.662 7.406) 10.425 4.842 ( 3.934 -12.324 -0.976) 12.974 4.906 ( 0.870 -20.074 1.332) 20.137 5.357 ( 1.123 12.480 -1.522) 12.622 5.570 ( 0.164 -7.826 -1.336) 7.941 5.785 ( -4.818 3.915 2.280) 6.614 5.838 ( -2.489 -0.811 2.151) 3.388 6.073 ( -3.110 7.956 0.681) 8.569 6.159 ( 1.212 -0.269 -1.082) 1.647 6.346 ( 2.728 3.003 -3.008) 5.051 6.525 ( 1.635 -11.544 -5.887) 13.061 6.933 ( 2.873 7.159 -0.744) 7.750 7.112 ( 3.878 -8.065 -1.970) 9.163 7.204 ( -0.714 8.399 1.755) 8.610 7.360 ( 0.297 -5.742 1.847) 6.040 7.650 ( 2.240 6.618 1.172) 7.085 7.820 ( -0.404 -6.597 0.905) 6.671 8.044 ( 1.201 3.021 8.510) 9.110 8.097 ( 4.025 0.712 3.637) 5.472 8.378 ( 0.274 0.373 -1.106) 1.199 8.445 ( 1.996 -4.087 -7.189) 8.507 8.670 ( 0.167 7.927 7.731) 11.074 8.767 ( -4.406 0.362 6.031) 7.478 8.896 ( -0.758 0.632 -6.306) 6.383 8.978 ( 0.877 -6.943 -1.508) 7.159 9.499 ( -4.213 5.161 0.103) 6.663 9.571 ( -4.267 -1.815 -3.972) 6.106 10.050 ( 2.215 2.022 -0.536) 3.046 10.133 ( -3.033 -5.509 1.145) 6.392 10.718 ( 1.382 8.887 -0.477) 9.007 10.874 ( 1.301 -5.445 -1.049) 5.696 11.278 ( 5.786 5.584 2.121) 8.316 11.370 ( 11.003 -2.223 1.107) 11.279 11.581 ( -10.074 5.043 -4.412) 12.099 11.668 ( 4.244 -1.886 2.970) 5.512 11.930 ( -5.110 2.543 0.887) 5.776 12.111 ( -6.354 -12.201 4.249) 14.397 12.347 ( -5.839 3.406 -4.052) 7.881 12.511 ( -7.205 -12.583 -5.822) 15.625 12.745 ( -7.564 4.962 -6.971) 11.420 12.856 ( -4.901 -6.126 -5.518) 9.592 13.376 ( 1.722 0.211 4.781) 5.086 13.443 ( 3.337 -3.561 3.335) 5.911 13.614 ( -0.451 2.582 -0.420) 2.654 13.693 ( -2.043 -4.064 -2.524) 5.202 14.250 ( 2.297 9.633 0.679) 9.926 14.404 ( 5.631 -3.668 1.747) 6.944 14.673 ( 4.777 2.887 5.602) 7.909 14.743 ( 1.886 -4.113 4.245) 6.204 14.895 ( -1.800 4.742 -5.120) 7.207 15.017 ( -4.803 -6.156 -2.256) 8.128 16.084 ( 8.421 4.020 7.319) 11.859 16.149 ( 4.143 -2.313 6.192) 7.801 16.387 ( -4.391 6.227 -1.689) 7.804 16.472 ( -2.643 -1.751 -2.637) 4.124 16.732 ( 0.886 3.011 -3.520) 4.716 16.841 ( -0.334 -5.654 -2.956) 6.389 17.115 ( 5.470 6.447 1.803) 8.645 17.235 ( 4.345 -4.011 -0.101) 5.914 24.767 ( 2.232 1.048 -0.541) 2.524 24.794 ( 1.509 -1.590 -1.756) 2.808 25.063 ( 1.505 4.010 2.345) 4.882 25.115 ( 1.985 -0.479 -0.123) 2.045 25.445 ( -0.527 1.197 0.744) 1.505 25.506 ( -1.031 -4.233 0.035) 4.357 25.812 ( 0.301 3.955 0.490) 3.996 25.884 ( 0.762 -2.831 0.771) 3.032 27.259 ( -1.206 5.091 -1.178) 5.362 27.405 ( -0.343 -8.802 -1.633) 8.959 27.712 ( -0.518 7.023 -0.122) 7.043 27.897 ( -0.763 -10.854 0.752) 10.907 29.750 ( -2.039 4.507 -0.259) 4.953 29.872 ( -0.940 -7.255 0.189) 7.318 31.485 ( -1.208 9.496 0.350) 9.579 31.581 ( -0.981 0.042 -0.417) 1.067 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 6.431 0.000) 6.431 1.474 ( -0.000 -0.818 0.000) 0.818 2.141 ( 0.000 8.531 0.000) 8.531 2.258 ( 0.000 -1.835 -0.000) 1.835 2.386 ( 0.000 4.466 -0.000) 4.466 2.510 ( -0.000 -7.151 0.000) 7.151 2.672 ( 0.000 -3.411 0.000) 3.411 2.702 ( 0.000 -6.825 0.000) 6.825 3.025 ( 0.000 4.301 0.000) 4.301 3.080 ( 0.000 -0.407 0.000) 0.407 3.329 ( -0.000 -1.946 -0.000) 1.946 3.369 ( 0.000 -3.671 0.000) 3.671 3.580 ( 0.000 12.516 0.000) 12.516 3.725 ( 0.000 11.088 0.000) 11.088 3.806 ( 0.000 6.940 0.000) 6.940 3.861 ( -0.000 -1.177 0.000) 1.177 3.889 ( 0.000 -1.010 0.000) 1.010 4.046 ( 0.000 -8.867 -0.000) 8.867 4.114 ( -0.000 14.790 0.000) 14.790 4.349 ( -0.000 -10.873 0.000) 10.873 4.369 ( 0.000 24.959 -0.000) 24.959 4.778 ( -0.000 -1.301 -0.000) 1.301 4.837 ( 0.000 -8.917 0.000) 8.917 4.927 ( 0.000 -21.249 -0.000) 21.249 5.372 ( 0.000 11.138 0.000) 11.138 5.568 ( 0.000 -6.840 0.000) 6.840 5.740 ( 0.000 2.439 -0.000) 2.439 5.810 ( 0.000 -3.033 0.000) 3.033 6.047 ( 0.000 11.446 0.000) 11.446 6.178 ( 0.000 -0.188 -0.000) 0.188 6.365 ( 0.000 2.580 -0.000) 2.580 6.531 ( 0.000 -11.721 -0.000) 11.721 7.028 ( -0.000 8.720 -0.000) 8.720 7.046 ( 0.000 7.924 0.000) 7.924 7.257 ( 0.000 -4.826 0.000) 4.826 7.325 ( -0.000 -9.178 0.000) 9.178 7.716 ( 0.000 1.036 0.000) 1.036 7.795 ( -0.000 -5.204 -0.000) 5.204 8.121 ( 0.000 4.941 0.000) 4.941 8.121 ( 0.000 6.470 -0.000) 6.470 8.377 ( 0.000 -1.203 0.000) 1.203 8.430 ( -0.000 -1.546 -0.000) 1.546 8.663 ( 0.000 5.162 -0.000) 5.162 8.764 ( 0.000 -3.120 0.000) 3.120 8.875 ( 0.000 2.210 -0.000) 2.210 8.977 ( 0.000 -6.290 -0.000) 6.290 9.460 ( 0.000 3.671 -0.000) 3.671 9.514 ( -0.000 -1.301 0.000) 1.301 10.086 ( 0.000 -1.735 -0.000) 1.735 10.087 ( -0.000 -1.224 0.000) 1.224 10.730 ( 0.000 9.031 -0.000) 9.031 10.887 ( 0.000 -5.503 0.000) 5.503 11.391 ( -0.000 4.170 -0.000) 4.170 11.404 ( 0.000 9.816 0.000) 9.816 11.536 ( 0.000 -1.821 0.000) 1.821 11.679 ( -0.000 -6.732 0.000) 6.732 11.934 ( 0.000 2.340 0.000) 2.340 12.042 ( 0.000 -8.275 -0.000) 8.275 12.280 ( -0.000 -0.970 -0.000) 0.970 12.378 ( 0.000 -11.495 0.000) 11.495 12.657 ( 0.000 5.147 -0.000) 5.147 12.801 ( 0.000 -7.958 0.000) 7.958 13.410 ( 0.000 2.301 -0.000) 2.301 13.484 ( 0.000 -1.094 0.000) 1.094 13.631 ( 0.000 -2.684 0.000) 2.684 13.641 ( 0.000 -1.953 -0.000) 1.953 14.273 ( 0.000 10.582 0.000) 10.582 14.464 ( -0.000 -4.688 0.000) 4.688 14.713 ( 0.000 2.992 0.000) 2.992 14.795 ( 0.000 -2.777 -0.000) 2.777 14.875 ( 0.000 1.827 0.000) 1.827 14.952 ( 0.000 -5.041 0.000) 5.041 16.192 ( 0.000 1.252 0.000) 1.252 16.223 ( -0.000 -1.358 -0.000) 1.358 16.300 ( 0.000 10.618 0.000) 10.618 16.463 ( -0.000 -4.400 -0.000) 4.400 16.727 ( 0.000 3.143 0.000) 3.143 16.827 ( -0.000 -5.306 0.000) 5.306 17.179 ( 0.000 5.303 -0.000) 5.303 17.273 ( -0.000 -2.223 0.000) 2.223 24.795 ( -0.000 -0.208 -0.000) 0.208 24.796 ( 0.000 -0.372 0.000) 0.372 25.088 ( 0.000 4.212 -0.000) 4.212 25.133 ( 0.000 0.577 0.000) 0.577 25.443 ( -0.000 0.481 -0.000) 0.481 25.495 ( 0.000 -4.419 0.000) 4.419 25.817 ( 0.000 4.248 -0.000) 4.248 25.894 ( 0.000 -3.089 0.000) 3.089 27.243 ( 0.000 5.128 -0.000) 5.128 27.397 ( 0.000 -9.766 0.000) 9.766 27.706 ( 0.000 6.628 -0.000) 6.628 27.892 ( 0.000 -11.409 0.000) 11.409 29.729 ( 0.000 5.342 -0.000) 5.342 29.863 ( 0.000 -7.642 0.000) 7.642 31.474 ( 0.000 10.003 -0.000) 10.003 31.570 ( 0.000 0.385 -0.000) 0.385 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -5.267 0.000 28.577) 29.059 0.561 ( -4.377 0.000 30.178) 30.494 1.115 ( -2.710 0.000 54.414) 54.481 2.031 ( -0.666 0.000 16.033) 16.047 2.176 ( -1.331 0.000 18.808) 18.855 2.583 ( 0.223 0.000 -5.357) 5.362 2.660 ( 2.751 0.000 2.114) 3.469 2.815 ( -2.084 0.000 -0.235) 2.097 2.868 ( -12.832 0.000 2.920) 13.160 3.026 ( 6.065 0.000 3.242) 6.877 3.091 ( 3.419 0.000 7.317) 8.076 3.250 ( 2.114 0.000 0.324) 2.139 3.306 ( -2.599 0.000 -2.911) 3.902 3.432 ( 0.978 0.000 0.081) 0.981 3.441 ( -0.788 0.000 -2.338) 2.468 3.620 ( 1.670 0.000 -0.929) 1.911 3.862 ( 6.348 0.000 8.549) 10.648 4.020 ( -6.633 0.000 -2.763) 7.186 4.083 ( 0.193 0.000 -3.260) 3.265 4.177 ( -2.159 0.000 0.858) 2.323 4.494 ( 1.657 0.000 -4.257) 4.568 4.923 ( 2.316 0.000 -9.419) 9.699 5.210 ( 4.524 0.000 -7.849) 9.059 5.501 ( 0.425 0.000 3.007) 3.037 5.517 ( -3.862 0.000 0.539) 3.900 5.706 ( -7.184 0.000 6.248) 9.521 5.733 ( 6.117 0.000 2.964) 6.798 5.742 ( -2.820 0.000 13.151) 13.450 6.071 ( -0.593 0.000 -5.958) 5.988 6.459 ( -4.618 0.000 -4.801) 6.661 6.496 ( -1.789 0.000 0.269) 1.809 6.579 ( 37.005 0.000 -9.252) 38.144 6.742 ( -2.285 0.000 -4.014) 4.619 7.093 ( -10.729 0.000 -18.398) 21.298 7.105 ( 8.599 0.000 4.323) 9.625 7.398 ( 7.705 0.000 0.408) 7.716 7.575 ( 1.574 0.000 -4.667) 4.925 7.608 ( -12.681 0.000 3.011) 13.033 7.771 ( 4.213 0.000 6.239) 7.528 8.043 ( -5.860 0.000 -1.876) 6.153 8.187 ( -0.522 0.000 -1.011) 1.138 8.574 ( -0.314 0.000 -3.835) 3.848 8.646 ( 5.018 0.000 5.099) 7.154 8.855 ( 13.718 0.000 15.744) 20.882 8.912 ( 0.060 0.000 -3.216) 3.216 8.961 ( -6.036 0.000 2.609) 6.576 9.405 ( -3.451 0.000 -18.170) 18.495 9.814 ( -22.837 0.000 -1.881) 22.914 10.159 ( -4.878 0.000 2.067) 5.298 10.282 ( 0.402 0.000 2.544) 2.576 10.878 ( 0.484 0.000 1.159) 1.255 10.879 ( 11.018 0.000 3.068) 11.438 11.086 ( -1.009 0.000 -4.259) 4.377 11.245 ( -4.715 0.000 -6.355) 7.913 11.332 ( 3.285 0.000 6.785) 7.538 11.539 ( -15.880 0.000 3.938) 16.360 11.878 ( 2.743 0.000 3.368) 4.344 12.201 ( -1.567 0.000 -0.099) 1.570 12.496 ( -0.547 0.000 -1.479) 1.577 12.866 ( 5.055 0.000 -5.767) 7.669 13.184 ( 12.004 0.000 -12.084) 17.033 13.402 ( 1.293 0.000 -7.598) 7.707 13.529 ( 1.100 0.000 6.276) 6.371 13.630 ( -3.002 0.000 -6.808) 7.440 13.676 ( -16.102 0.000 1.610) 16.182 13.896 ( -28.263 0.000 1.626) 28.310 14.077 ( -1.523 0.000 -2.459) 2.892 14.262 ( 5.973 0.000 5.316) 7.997 14.760 ( -1.025 0.000 4.596) 4.709 14.847 ( 3.313 0.000 -3.488) 4.810 15.181 ( 2.571 0.000 -3.205) 4.109 15.360 ( 37.680 0.000 2.872) 37.789 15.810 ( 11.974 0.000 -2.940) 12.330 16.018 ( -10.808 0.000 -2.421) 11.076 16.106 ( -0.268 0.000 8.692) 8.696 16.174 ( 10.139 0.000 4.524) 11.102 16.445 ( 3.363 0.000 1.105) 3.540 16.697 ( 1.161 0.000 -1.027) 1.550 16.756 ( -5.535 0.000 1.656) 5.778 17.284 ( -1.880 0.000 -1.046) 2.152 24.592 ( -0.298 0.000 1.657) 1.684 24.869 ( -7.013 0.000 0.623) 7.040 25.009 ( -16.444 0.000 6.809) 17.798 25.064 ( -1.151 0.000 2.333) 2.601 25.576 ( -1.652 0.000 1.593) 2.295 25.794 ( -1.148 0.000 -2.910) 3.128 25.794 ( 0.271 0.000 3.278) 3.290 26.331 ( -44.404 0.000 -2.580) 44.479 27.261 ( 0.314 0.000 5.084) 5.094 27.513 ( -1.790 0.000 1.564) 2.377 28.217 ( 1.034 0.000 -4.589) 4.704 28.489 ( 86.673 0.000 -5.408) 86.842 29.636 ( -0.056 0.000 0.631) 0.633 29.972 ( -0.832 0.000 -1.122) 1.397 30.554 ( -14.357 0.000 -0.412) 14.363 30.781 ( 0.149 0.000 -1.154) 1.164 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 13.109 0.000 26.199) 29.295 0.875 ( 22.281 0.000 18.222) 28.784 1.437 ( 3.656 0.000 37.441) 37.619 2.088 ( -2.394 0.000 16.076) 16.254 2.317 ( 6.376 0.000 25.493) 26.278 2.553 ( -3.648 0.000 -3.397) 4.985 2.597 ( -15.992 0.000 3.269) 16.323 2.708 ( -5.458 0.000 -2.896) 6.179 2.739 ( 3.599 0.000 1.745) 4.000 3.169 ( 5.736 0.000 2.506) 6.259 3.172 ( -0.197 0.000 9.142) 9.144 3.230 ( -3.499 0.000 2.089) 4.075 3.279 ( 0.477 0.000 0.933) 1.048 3.388 ( -3.588 0.000 -3.337) 4.900 3.423 ( -3.371 0.000 -2.092) 3.967 3.659 ( 2.522 0.000 0.337) 2.545 3.817 ( -7.020 0.000 -2.082) 7.322 4.052 ( -3.711 0.000 3.662) 5.214 4.127 ( 0.045 0.000 -5.688) 5.688 4.163 ( 12.950 0.000 6.584) 14.528 4.549 ( 6.649 0.000 -4.158) 7.842 4.789 ( -9.446 0.000 -9.767) 13.588 5.214 ( -0.290 0.000 -5.190) 5.199 5.359 ( -9.890 0.000 -2.174) 10.126 5.514 ( -0.989 0.000 1.872) 2.117 5.663 ( -0.290 0.000 4.063) 4.073 5.778 ( -1.031 0.000 12.075) 12.119 5.787 ( -0.346 0.000 -0.022) 0.347 6.064 ( -0.056 0.000 2.670) 2.671 6.288 ( -9.028 0.000 -6.108) 10.900 6.417 ( -4.168 0.000 -7.480) 8.563 6.681 ( -0.003 0.000 -2.693) 2.693 6.839 ( -3.550 0.000 -11.418) 11.957 7.035 ( 17.073 0.000 -24.808) 30.115 7.356 ( -9.877 0.000 0.583) 9.894 7.417 ( 18.306 0.000 7.750) 19.879 7.529 ( 3.523 0.000 1.372) 3.781 7.586 ( 2.048 0.000 -2.483) 3.219 7.877 ( -8.787 0.000 -2.919) 9.259 7.972 ( 7.045 0.000 2.380) 7.436 8.303 ( 14.589 0.000 1.581) 14.675 8.495 ( -4.682 0.000 -7.796) 9.094 8.753 ( 2.350 0.000 -0.081) 2.351 8.812 ( -9.217 0.000 1.811) 9.393 8.952 ( 4.239 0.000 0.501) 4.269 9.027 ( -20.862 0.000 19.675) 28.676 9.115 ( 0.653 0.000 -4.668) 4.713 9.506 ( -1.715 0.000 -4.347) 4.673 10.140 ( 2.268 0.000 0.979) 2.471 10.239 ( -5.479 0.000 3.285) 6.388 10.879 ( -1.912 0.000 0.688) 2.033 10.992 ( -7.619 0.000 3.717) 8.477 11.149 ( 8.448 0.000 -1.466) 8.574 11.156 ( 5.837 0.000 -10.849) 12.319 11.469 ( 7.657 0.000 6.995) 10.372 11.603 ( 6.830 0.000 8.004) 10.522 11.954 ( -0.111 0.000 6.037) 6.038 12.132 ( -5.094 0.000 -2.129) 5.521 12.459 ( -2.217 0.000 -1.128) 2.487 12.875 ( 0.237 0.000 -7.207) 7.211 13.164 ( -14.344 0.000 -10.601) 17.836 13.211 ( -6.741 0.000 -3.241) 7.479 13.315 ( 0.576 0.000 -0.271) 0.637 13.661 ( 0.766 0.000 8.355) 8.390 13.663 ( 3.821 0.000 -5.959) 7.078 13.722 ( -3.313 0.000 0.639) 3.374 14.058 ( 1.405 0.000 1.099) 1.784 14.430 ( 4.897 0.000 7.171) 8.683 14.755 ( 1.767 0.000 -0.946) 2.004 14.834 ( -0.148 0.000 -4.206) 4.209 15.265 ( 5.688 0.000 1.480) 5.878 15.390 ( -4.725 0.000 -4.641) 6.623 15.781 ( -12.072 0.000 -4.096) 12.748 16.080 ( -0.666 0.000 2.135) 2.237 16.304 ( 11.440 0.000 -0.778) 11.467 16.378 ( 8.341 0.000 5.137) 9.796 16.472 ( -2.016 0.000 4.630) 5.050 16.726 ( 4.539 0.000 -4.368) 6.299 16.727 ( 2.513 0.000 -1.745) 3.059 17.228 ( -2.773 0.000 -2.151) 3.509 24.634 ( 3.646 0.000 1.967) 4.143 24.762 ( 0.146 0.000 1.895) 1.901 24.989 ( -0.005 0.000 11.635) 11.635 25.033 ( -3.494 0.000 2.265) 4.164 25.539 ( -2.663 0.000 1.183) 2.914 25.701 ( -6.186 0.000 -1.551) 6.377 25.831 ( 1.184 0.000 3.582) 3.772 25.976 ( -5.821 0.000 6.710) 8.883 27.262 ( -3.173 0.000 5.151) 6.050 27.506 ( 0.306 0.000 1.319) 1.354 28.225 ( 2.586 0.000 -5.500) 6.078 28.973 ( -4.068 0.000 -13.342) 13.949 29.649 ( 0.918 0.000 0.750) 1.186 30.026 ( 3.768 0.000 -0.758) 3.843 30.577 ( 11.008 0.000 -6.504) 12.786 30.771 ( -0.486 0.000 -1.257) 1.348 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 11.328 0.000 21.700) 24.479 1.420 ( 25.098 0.000 13.558) 28.526 1.546 ( -6.100 0.000 17.659) 18.683 2.118 ( -3.067 0.000 12.793) 13.155 2.319 ( -15.794 0.000 5.008) 16.569 2.331 ( -14.443 0.000 -2.860) 14.724 2.640 ( 7.743 0.000 18.100) 19.687 2.694 ( 2.988 0.000 -2.426) 3.849 2.800 ( 3.948 0.000 2.078) 4.461 3.110 ( -7.116 0.000 5.027) 8.712 3.194 ( -10.944 0.000 2.182) 11.159 3.221 ( -4.163 0.000 1.231) 4.342 3.264 ( 1.066 0.000 -0.972) 1.443 3.311 ( -0.102 0.000 1.523) 1.526 3.369 ( 2.028 0.000 5.075) 5.465 3.684 ( -2.866 0.000 -4.319) 5.183 3.725 ( 2.177 0.000 -2.046) 2.987 4.032 ( -1.760 0.000 5.839) 6.098 4.136 ( 4.158 0.000 -7.011) 8.151 4.350 ( 3.528 0.000 2.670) 4.425 4.497 ( -13.578 0.000 -9.601) 16.629 4.700 ( 9.588 0.000 -1.065) 9.647 5.152 ( -2.828 0.000 -6.085) 6.710 5.198 ( -5.130 0.000 -1.405) 5.319 5.509 ( 0.225 0.000 1.198) 1.219 5.701 ( 0.960 0.000 5.496) 5.579 5.784 ( 0.721 0.000 -0.539) 0.900 5.817 ( -1.373 0.000 10.638) 10.726 6.059 ( -3.686 0.000 4.905) 6.136 6.105 ( -6.777 0.000 -2.125) 7.102 6.305 ( -0.655 0.000 -10.847) 10.867 6.725 ( -2.380 0.000 -11.026) 11.280 6.729 ( 4.333 0.000 0.114) 4.334 7.107 ( 4.297 0.000 -15.851) 16.423 7.353 ( 6.671 0.000 4.237) 7.903 7.555 ( -1.093 0.000 1.529) 1.879 7.609 ( 2.953 0.000 -0.247) 2.963 7.717 ( -2.910 0.000 -1.397) 3.228 7.857 ( 18.959 0.000 7.380) 20.345 8.033 ( 0.457 0.000 1.013) 1.112 8.297 ( -12.553 0.000 -9.802) 15.927 8.567 ( 5.554 0.000 1.595) 5.778 8.626 ( -6.351 0.000 -2.624) 6.872 8.793 ( 0.286 0.000 0.464) 0.545 8.825 ( -2.009 0.000 5.502) 5.857 9.030 ( 2.300 0.000 2.062) 3.089 9.090 ( -3.153 0.000 -3.774) 4.918 9.513 ( 1.782 0.000 0.701) 1.915 10.157 ( -4.537 0.000 2.663) 5.261 10.247 ( 7.880 0.000 0.666) 7.908 10.839 ( -2.189 0.000 1.487) 2.646 10.843 ( -10.760 0.000 7.445) 13.084 11.184 ( 4.151 0.000 -9.368) 10.247 11.289 ( 5.142 0.000 1.036) 5.245 11.681 ( 10.553 0.000 3.683) 11.177 11.760 ( 4.160 0.000 6.430) 7.658 11.889 ( -7.064 0.000 3.837) 8.039 12.007 ( -5.702 0.000 -3.792) 6.848 12.421 ( -1.400 0.000 0.804) 1.614 12.832 ( 0.064 0.000 -11.253) 11.254 12.869 ( -9.981 0.000 -9.635) 13.873 13.148 ( 0.329 0.000 -5.410) 5.420 13.382 ( 4.749 0.000 6.186) 7.799 13.679 ( -0.921 0.000 -1.191) 1.506 13.680 ( 1.979 0.000 -4.063) 4.520 13.730 ( 0.649 0.000 10.273) 10.293 14.128 ( 3.593 0.000 3.099) 4.745 14.417 ( -6.298 0.000 0.603) 6.326 14.819 ( 1.220 0.000 -4.721) 4.876 14.902 ( 11.802 0.000 1.048) 11.849 15.289 ( -2.664 0.000 -9.091) 9.473 15.323 ( -4.019 0.000 2.959) 4.991 15.586 ( -3.576 0.000 -4.158) 5.484 16.042 ( -4.595 0.000 5.217) 6.952 16.321 ( -3.739 0.000 -2.408) 4.447 16.476 ( -0.514 0.000 3.043) 3.086 16.497 ( 1.410 0.000 2.231) 2.639 16.773 ( 3.794 0.000 -2.866) 4.754 16.845 ( 7.449 0.000 -0.574) 7.471 17.178 ( -1.289 0.000 -0.506) 1.385 24.737 ( 5.806 0.000 2.354) 6.265 24.808 ( 2.780 0.000 0.068) 2.780 24.961 ( -5.513 0.000 2.519) 6.061 25.078 ( 2.270 0.000 14.541) 14.717 25.504 ( -1.622 0.000 1.504) 2.212 25.604 ( -3.453 0.000 -0.937) 3.578 25.863 ( 0.141 0.000 3.204) 3.207 25.955 ( -1.020 0.000 2.678) 2.865 27.213 ( -3.857 0.000 3.106) 4.952 27.529 ( 0.788 0.000 2.530) 2.649 28.246 ( 3.241 0.000 -7.710) 8.364 28.746 ( -10.646 0.000 -9.406) 14.206 29.671 ( 0.778 0.000 0.823) 1.133 30.061 ( 0.351 0.000 0.931) 0.995 30.720 ( 8.023 0.000 -6.848) 10.548 30.755 ( -0.342 0.000 -1.176) 1.225 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -17.480 0.000 9.987) 20.132 1.398 ( -5.426 0.000 19.550) 20.289 1.945 ( 22.318 0.000 10.496) 24.663 1.950 ( -12.889 0.000 -1.058) 12.933 2.109 ( -10.713 0.000 12.025) 16.105 2.293 ( 7.475 0.000 7.308) 10.454 2.516 ( -23.353 0.000 -0.746) 23.364 2.714 ( -0.212 0.000 -2.741) 2.749 2.790 ( -3.441 0.000 -3.602) 4.981 3.041 ( -2.056 0.000 3.810) 4.329 3.103 ( -5.512 0.000 -3.171) 6.360 3.209 ( 5.666 0.000 7.073) 9.063 3.279 ( 0.115 0.000 -2.140) 2.143 3.370 ( 1.998 0.000 5.415) 5.772 3.457 ( 1.411 0.000 17.000) 17.059 3.608 ( -0.492 0.000 -7.891) 7.907 3.762 ( 1.251 0.000 -0.726) 1.446 3.896 ( -9.972 0.000 -6.834) 12.088 4.156 ( 1.860 0.000 -7.111) 7.350 4.365 ( -1.387 0.000 -0.545) 1.490 4.455 ( 11.110 0.000 1.429) 11.201 4.782 ( -1.468 0.000 -1.701) 2.246 5.078 ( 0.428 0.000 -8.915) 8.925 5.168 ( 1.931 0.000 0.433) 1.979 5.532 ( 0.397 0.000 2.541) 2.572 5.729 ( -2.833 0.000 8.917) 9.356 5.801 ( 1.115 0.000 -0.305) 1.156 5.840 ( -0.834 0.000 8.125) 8.168 5.985 ( -4.515 0.000 0.914) 4.607 6.095 ( 5.605 0.000 4.431) 7.145 6.304 ( 4.422 0.000 -6.904) 8.199 6.632 ( -1.328 0.000 -10.543) 10.627 6.777 ( -0.048 0.000 0.800) 0.802 7.124 ( 4.725 0.000 -7.442) 8.815 7.510 ( 0.467 0.000 0.246) 0.528 7.533 ( 3.973 0.000 5.916) 7.126 7.635 ( -1.734 0.000 -2.877) 3.358 7.697 ( 2.194 0.000 1.268) 2.534 7.958 ( -16.295 0.000 -6.260) 17.456 8.011 ( -3.064 0.000 -1.305) 3.331 8.266 ( 18.667 0.000 6.179) 19.663 8.536 ( -5.412 0.000 4.321) 6.925 8.553 ( -0.594 0.000 -2.745) 2.809 8.802 ( 1.078 0.000 -0.416) 1.155 8.846 ( -0.312 0.000 -18.430) 18.433 9.051 ( -0.795 0.000 2.048) 2.197 9.073 ( 1.770 0.000 14.320) 14.429 9.554 ( 2.394 0.000 -1.875) 3.040 10.108 ( -1.681 0.000 1.214) 2.073 10.391 ( 5.099 0.000 2.242) 5.571 10.692 ( -8.144 0.000 6.689) 10.539 10.833 ( 0.327 0.000 2.987) 3.004 11.259 ( 8.237 0.000 -3.836) 9.086 11.334 ( -0.867 0.000 1.732) 1.937 11.664 ( -9.170 0.000 -2.378) 9.473 11.702 ( -8.514 0.000 -7.095) 11.082 11.964 ( 6.115 0.000 10.609) 12.245 12.017 ( 6.859 0.000 2.847) 7.426 12.417 ( -0.137 0.000 1.804) 1.809 12.755 ( -1.292 0.000 -12.088) 12.157 12.762 ( 4.620 0.000 -7.094) 8.466 13.081 ( -2.745 0.000 -10.459) 10.813 13.538 ( 3.804 0.000 3.991) 5.514 13.674 ( 1.717 0.000 8.575) 8.745 13.719 ( 3.975 0.000 -0.895) 4.075 13.798 ( 0.251 0.000 10.194) 10.198 14.170 ( -1.946 0.000 2.198) 2.935 14.308 ( -2.925 0.000 -3.446) 4.520 14.825 ( 1.893 0.000 -4.203) 4.609 15.091 ( 1.798 0.000 2.275) 2.900 15.168 ( -5.090 0.000 -2.235) 5.559 15.181 ( -2.426 0.000 -15.091) 15.284 15.614 ( 4.769 0.000 1.558) 5.017 15.986 ( -4.066 0.000 5.646) 6.957 16.246 ( -1.631 0.000 -4.528) 4.813 16.459 ( -1.841 0.000 -0.797) 2.006 16.461 ( -4.074 0.000 -2.883) 4.991 16.805 ( 0.563 0.000 -3.141) 3.192 16.947 ( 2.313 0.000 3.276) 4.010 17.193 ( 2.250 0.000 2.651) 3.477 24.825 ( -2.419 0.000 1.468) 2.830 24.848 ( 1.124 0.000 1.465) 1.846 24.893 ( 1.214 0.000 3.800) 3.989 25.238 ( 5.498 0.000 20.690) 21.408 25.499 ( 0.082 0.000 2.130) 2.132 25.553 ( -1.722 0.000 -1.579) 2.337 25.866 ( -1.469 0.000 2.625) 3.008 25.943 ( -1.586 0.000 1.639) 2.280 27.171 ( -1.740 0.000 1.673) 2.414 27.552 ( -0.116 0.000 3.316) 3.318 28.249 ( 2.382 0.000 -12.471) 12.697 28.511 ( -8.400 0.000 -12.768) 15.283 29.680 ( -0.368 0.000 0.756) 0.841 30.056 ( -1.275 0.000 0.756) 1.482 30.750 ( 0.482 0.000 -0.978) 1.091 30.814 ( 5.678 0.000 -4.318) 7.133 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -24.575 0.000 7.491) 25.691 1.163 ( -25.703 0.000 13.086) 28.842 1.829 ( -35.128 0.000 19.005) 39.940 1.864 ( 0.367 0.000 6.877) 6.887 2.149 ( -8.651 0.000 10.085) 13.287 2.388 ( 18.734 0.000 6.197) 19.732 2.527 ( 12.227 0.000 5.993) 13.616 2.673 ( -1.382 0.000 -4.535) 4.741 2.711 ( -3.154 0.000 -3.342) 4.595 3.004 ( -3.331 0.000 1.236) 3.553 3.074 ( 3.468 0.000 -1.301) 3.704 3.225 ( -4.420 0.000 0.221) 4.426 3.269 ( 1.354 0.000 -1.807) 2.258 3.417 ( 1.546 0.000 0.608) 1.661 3.497 ( -3.267 0.000 2.494) 4.110 3.597 ( 2.004 0.000 -3.448) 3.988 3.756 ( -0.797 0.000 -1.759) 1.931 3.886 ( 7.813 0.000 7.411) 10.769 4.149 ( 1.404 0.000 -6.505) 6.655 4.307 ( -4.969 0.000 0.798) 5.033 4.669 ( -7.000 0.000 -3.523) 7.836 4.687 ( 11.156 0.000 -3.670) 11.744 5.084 ( 4.757 0.000 -8.636) 9.860 5.253 ( 6.354 0.000 0.434) 6.369 5.527 ( -2.418 0.000 2.989) 3.844 5.715 ( -3.794 0.000 12.201) 12.777 5.827 ( 0.494 0.000 1.856) 1.921 5.879 ( -0.795 0.000 7.316) 7.359 5.944 ( 0.724 0.000 1.735) 1.880 6.273 ( 9.108 0.000 3.058) 9.608 6.330 ( 2.037 0.000 -12.353) 12.519 6.566 ( -1.318 0.000 -4.551) 4.738 6.756 ( -1.670 0.000 1.399) 2.179 7.206 ( 6.511 0.000 -1.705) 6.730 7.458 ( -15.263 0.000 -7.467) 16.991 7.458 ( -1.510 0.000 -4.164) 4.430 7.632 ( -3.563 0.000 -3.458) 4.965 7.648 ( 0.684 0.000 4.333) 4.386 7.896 ( 6.097 0.000 6.540) 8.941 7.916 ( -5.895 0.000 2.219) 6.298 8.458 ( -5.568 0.000 2.130) 5.962 8.534 ( 6.765 0.000 -0.191) 6.767 8.557 ( 2.279 0.000 -3.060) 3.815 8.670 ( -5.080 0.000 -18.609) 19.290 8.849 ( 3.894 0.000 2.156) 4.451 9.041 ( -1.487 0.000 3.104) 3.442 9.255 ( 7.263 0.000 21.539) 22.731 9.561 ( 1.354 0.000 -9.019) 9.120 10.118 ( 2.428 0.000 0.908) 2.592 10.376 ( -7.923 0.000 5.762) 9.797 10.706 ( 5.565 0.000 5.049) 7.514 10.869 ( 1.299 0.000 2.661) 2.961 11.292 ( -4.161 0.000 2.259) 4.735 11.385 ( 1.968 0.000 -7.065) 7.334 11.457 ( -11.709 0.000 -7.023) 13.653 11.554 ( 3.385 0.000 1.110) 3.562 12.134 ( 4.040 0.000 1.619) 4.353 12.161 ( 8.097 0.000 14.913) 16.969 12.440 ( 1.892 0.000 1.414) 2.362 12.666 ( -2.178 0.000 -9.235) 9.488 12.937 ( 15.661 0.000 -5.712) 16.670 12.954 ( -3.526 0.000 -13.763) 14.208 13.506 ( -3.481 0.000 -2.849) 4.498 13.808 ( 4.335 0.000 1.382) 4.549 13.823 ( -1.118 0.000 13.172) 13.220 13.867 ( 5.825 0.000 14.300) 15.440 14.110 ( -3.346 0.000 1.221) 3.561 14.250 ( -2.167 0.000 -5.750) 6.145 14.848 ( 2.445 0.000 -1.957) 3.132 14.922 ( -10.571 0.000 0.865) 10.606 15.017 ( -5.768 0.000 -21.100) 21.874 15.215 ( 1.978 0.000 -2.703) 3.350 15.752 ( 8.325 0.000 4.309) 9.374 15.966 ( -0.651 0.000 3.412) 3.474 16.212 ( 0.574 0.000 -6.631) 6.656 16.348 ( -5.766 0.000 -3.727) 6.866 16.405 ( -2.529 0.000 -3.256) 4.123 16.765 ( -2.406 0.000 -3.268) 4.058 16.958 ( -3.398 0.000 4.162) 5.373 17.260 ( 2.514 0.000 2.974) 3.895 24.723 ( -6.629 0.000 1.753) 6.856 24.868 ( -0.089 0.000 3.137) 3.138 24.984 ( 3.803 0.000 3.256) 5.006 25.493 ( 1.023 0.000 -2.201) 2.427 25.527 ( 1.421 0.000 2.701) 3.052 25.546 ( 9.402 0.000 27.594) 29.152 25.839 ( -2.705 0.000 2.164) 3.465 25.932 ( -0.532 0.000 8.787) 8.803 27.172 ( 0.823 0.000 1.756) 1.940 27.557 ( -1.290 0.000 3.422) 3.657 28.142 ( -5.122 0.000 -32.494) 32.895 28.315 ( -5.013 0.000 -7.607) 9.110 29.666 ( -1.323 0.000 0.641) 1.470 30.029 ( -1.787 0.000 0.834) 1.972 30.761 ( 1.113 0.000 -0.877) 1.417 30.883 ( 3.952 0.000 -4.844) 6.252 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -19.483 0.000 21.208) 28.799 0.742 ( -25.402 0.000 17.750) 30.989 1.250 ( -36.386 0.000 35.232) 50.648 1.945 ( 1.408 0.000 13.074) 13.150 2.126 ( -3.378 0.000 14.828) 15.208 2.618 ( 2.289 0.000 -1.358) 2.661 2.621 ( -1.175 0.000 -4.896) 5.035 2.754 ( 8.009 0.000 2.673) 8.443 2.764 ( 10.893 0.000 7.220) 13.068 2.999 ( 1.928 0.000 3.318) 3.837 3.115 ( -7.650 0.000 1.203) 7.744 3.160 ( 6.121 0.000 -0.627) 6.153 3.316 ( 4.083 0.000 -2.594) 4.837 3.445 ( 1.894 0.000 -2.951) 3.506 3.450 ( -1.729 0.000 -2.080) 2.705 3.611 ( 0.179 0.000 -0.221) 0.285 3.751 ( 2.030 0.000 0.358) 2.062 4.058 ( 4.148 0.000 3.563) 5.468 4.161 ( 3.057 0.000 -1.560) 3.432 4.186 ( -8.996 0.000 2.168) 9.254 4.539 ( -3.933 0.000 -4.489) 5.968 4.805 ( 6.955 0.000 -4.964) 8.544 5.146 ( 6.413 0.000 -8.532) 10.673 5.389 ( 8.042 0.000 1.112) 8.118 5.498 ( -2.013 0.000 3.476) 4.017 5.721 ( -3.147 0.000 13.283) 13.650 5.777 ( -6.159 0.000 -0.641) 6.193 5.836 ( -7.981 0.000 6.806) 10.489 6.067 ( 7.765 0.000 7.109) 10.528 6.233 ( -1.897 0.000 -12.828) 12.968 6.438 ( 7.214 0.000 0.468) 7.229 6.532 ( -2.062 0.000 1.910) 2.811 6.754 ( 0.814 0.000 -0.702) 1.075 7.155 ( -11.657 0.000 -3.947) 12.307 7.304 ( 3.994 0.000 -1.760) 4.364 7.388 ( -5.113 0.000 -16.697) 17.462 7.581 ( 0.139 0.000 -4.874) 4.876 7.603 ( -0.927 0.000 4.378) 4.475 7.860 ( -7.153 0.000 12.146) 14.096 8.048 ( 4.682 0.000 4.532) 6.516 8.299 ( -7.543 0.000 -11.214) 13.515 8.564 ( 0.489 0.000 -2.433) 2.481 8.587 ( 2.026 0.000 -1.093) 2.302 8.597 ( 3.828 0.000 5.124) 6.396 8.919 ( 1.311 0.000 0.580) 1.433 9.024 ( -2.846 0.000 3.838) 4.778 9.499 ( 1.822 0.000 -13.439) 13.562 9.623 ( 17.772 0.000 20.086) 26.820 10.204 ( 5.386 0.000 1.509) 5.593 10.252 ( -7.497 0.000 4.986) 9.004 10.839 ( 2.556 0.000 5.393) 5.968 10.884 ( -0.846 0.000 0.950) 1.272 11.196 ( -7.332 0.000 -2.843) 7.864 11.286 ( -3.029 0.000 -7.126) 7.743 11.287 ( -2.211 0.000 2.226) 3.137 11.721 ( 8.744 0.000 -2.587) 9.119 12.194 ( 1.809 0.000 0.779) 1.969 12.209 ( -17.486 0.000 -18.859) 25.718 12.486 ( 1.989 0.000 -0.017) 1.989 12.715 ( 15.316 0.000 7.040) 16.857 12.892 ( 6.999 0.000 0.133) 7.000 13.215 ( 16.512 0.000 -5.690) 17.465 13.451 ( -1.014 0.000 2.930) 3.101 13.805 ( -6.118 0.000 -2.857) 6.752 13.808 ( -4.477 0.000 4.990) 6.704 14.089 ( 0.524 0.000 -1.515) 1.603 14.185 ( 21.202 0.000 27.139) 34.439 14.198 ( 0.155 0.000 -0.305) 0.342 14.671 ( -19.575 0.000 -24.948) 31.711 14.779 ( -5.172 0.000 3.166) 6.064 14.899 ( 2.068 0.000 2.672) 3.379 15.197 ( -0.985 0.000 -3.980) 4.100 15.952 ( 10.224 0.000 4.578) 11.202 15.966 ( -2.224 0.000 -5.381) 5.822 16.135 ( -5.467 0.000 -6.314) 8.351 16.209 ( -7.713 0.000 -2.448) 8.092 16.377 ( 2.035 0.000 -0.430) 2.080 16.708 ( -1.482 0.000 -2.341) 2.771 16.872 ( -7.547 0.000 3.767) 8.435 17.299 ( 0.291 0.000 1.180) 1.215 24.627 ( -4.296 0.000 1.626) 4.594 24.883 ( -0.452 0.000 4.224) 4.248 25.049 ( 1.368 0.000 2.744) 3.066 25.364 ( -9.888 0.000 -10.271) 14.257 25.569 ( 1.063 0.000 2.617) 2.825 25.797 ( 2.163 0.000 -0.621) 2.251 25.800 ( -2.343 0.000 2.308) 3.289 26.476 ( 51.072 0.000 61.346) 79.823 27.213 ( 1.903 0.000 3.185) 3.711 27.541 ( -2.193 0.000 2.817) 3.570 27.589 ( -33.150 0.000 -46.163) 56.833 28.240 ( -1.030 0.000 -4.405) 4.524 29.645 ( -1.152 0.000 0.589) 1.294 30.004 ( -1.486 0.000 0.628) 1.613 30.777 ( 0.926 0.000 -0.971) 1.342 30.859 ( -4.567 0.000 -12.234) 13.059 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -11.094 20.202 20.057) 30.553 0.872 ( 7.373 24.148 16.795) 30.324 1.604 ( -4.656 38.325 35.398) 52.378 2.046 ( 1.419 3.016 7.405) 8.121 2.427 ( -4.438 16.864 15.559) 23.370 2.578 ( 2.484 0.086 -2.770) 3.722 2.773 ( 1.252 8.722 -1.192) 8.892 2.851 ( -7.702 2.986 0.751) 8.295 2.952 ( -5.136 8.647 3.973) 10.813 3.023 ( 5.871 -0.473 1.661) 6.120 3.111 ( 3.799 1.925 6.911) 8.118 3.188 ( -1.025 -4.604 -0.910) 4.803 3.338 ( -0.177 3.323 -0.827) 3.429 3.406 ( 3.210 -4.566 -2.682) 6.192 3.446 ( 2.581 0.422 0.460) 2.655 3.516 ( -1.385 -2.742 1.683) 3.503 3.909 ( 4.372 3.689 5.503) 7.938 4.027 ( -5.127 0.263 -5.489) 7.516 4.218 ( -3.482 6.063 2.734) 7.507 4.415 ( 2.475 13.499 -8.909) 16.362 4.508 ( -0.899 5.856 -3.912) 7.099 4.766 ( 2.217 -10.924 -4.357) 11.968 5.144 ( 4.743 -7.550 -3.919) 9.740 5.306 ( 0.005 -15.449 2.943) 15.727 5.506 ( -4.767 -6.611 5.033) 9.579 5.656 ( 6.163 -0.361 2.243) 6.569 5.750 ( -1.152 3.791 -0.362) 3.979 5.811 ( -5.373 2.697 6.210) 8.643 6.146 ( 0.529 1.664 -3.746) 4.133 6.229 ( 8.339 -13.415 4.543) 16.436 6.432 ( -0.218 -2.521 -1.614) 3.002 6.531 ( -4.052 2.987 -2.972) 5.845 6.780 ( -1.383 3.304 -3.556) 5.047 7.026 ( 0.832 2.495 -7.487) 7.935 7.311 ( -4.120 -4.715 -4.635) 7.790 7.368 ( 0.012 1.539 -10.568) 10.679 7.503 ( -0.392 -0.540 -3.610) 3.671 7.718 ( -3.476 1.916 3.993) 5.630 7.801 ( 13.218 3.723 7.050) 15.436 8.077 ( -2.760 4.583 -4.014) 6.689 8.237 ( 1.354 2.250 0.106) 2.628 8.500 ( 1.711 -6.483 -0.671) 6.738 8.664 ( -1.105 -0.190 6.316) 6.415 8.796 ( 6.042 0.662 1.354) 6.227 8.891 ( 0.100 -1.574 -1.778) 2.377 9.155 ( -0.757 10.015 7.823) 12.730 9.349 ( -5.975 -6.527 0.510) 8.863 9.600 ( -4.397 -3.809 0.725) 5.863 10.081 ( -2.536 -4.295 3.064) 5.854 10.382 ( -0.271 6.257 1.522) 6.445 10.774 ( 0.403 -9.737 6.221) 11.562 10.900 ( -1.110 1.770 1.588) 2.624 11.084 ( -1.997 1.199 -2.481) 3.403 11.134 ( -4.093 -1.168 -0.485) 4.284 11.246 ( 8.824 -1.845 -3.947) 9.841 11.833 ( 0.669 2.815 -5.020) 5.794 11.954 ( -1.080 6.725 -2.087) 7.124 12.360 ( -6.305 5.953 -6.578) 10.884 12.490 ( -0.255 4.442 -5.669) 7.207 12.839 ( 2.228 -2.953 -6.386) 7.380 13.146 ( 4.160 -7.273 -9.827) 12.914 13.209 ( 6.935 -7.400 -2.897) 10.547 13.573 ( -9.693 -2.677 -5.134) 11.291 13.647 ( 3.261 6.654 6.418) 9.803 13.760 ( -13.651 2.405 -2.032) 14.009 13.827 ( -11.301 -3.910 -0.435) 11.966 14.019 ( -0.085 -8.776 -1.151) 8.851 14.264 ( 7.681 -0.441 5.745) 9.602 14.521 ( 10.815 -20.811 15.469) 28.096 14.760 ( -4.088 2.578 -1.628) 5.100 15.030 ( -5.838 -5.185 -2.005) 8.061 15.355 ( 25.592 1.342 17.514) 31.041 15.505 ( -9.035 -0.398 -0.645) 9.066 16.115 ( 3.461 4.066 7.096) 8.881 16.273 ( 8.043 -0.973 -1.741) 8.287 16.376 ( -3.474 8.299 1.806) 9.176 16.673 ( -0.531 3.528 -6.221) 7.172 16.716 ( 1.341 6.662 -10.605) 12.596 16.831 ( -0.585 7.634 -1.184) 7.747 17.239 ( -1.738 -4.250 -1.031) 4.705 24.628 ( 1.039 2.620 -0.555) 2.872 24.846 ( -8.813 -2.147 1.480) 9.191 25.002 ( -7.442 0.227 8.461) 11.270 25.068 ( -1.392 0.407 2.550) 2.933 25.575 ( -1.402 -1.536 3.010) 3.658 25.724 ( -0.518 -4.363 3.488) 5.610 25.777 ( -3.239 -3.663 2.117) 5.328 25.992 ( -5.621 -11.264 13.339) 18.341 27.257 ( 0.614 -1.316 5.463) 5.652 27.469 ( 3.796 0.702 2.407) 4.549 27.780 ( 11.820 -14.514 8.233) 20.448 28.196 ( 6.543 -4.203 -2.387) 8.134 29.877 ( -2.526 -2.830 -4.234) 5.685 30.236 ( 5.796 -7.508 -6.430) 11.459 30.978 ( 11.997 24.980 -15.350) 31.679 31.008 ( -12.042 23.305 -14.833) 30.136 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 3.620 8.366 20.443) 22.383 1.188 ( 15.206 18.061 17.052) 29.124 1.814 ( 2.251 28.595 24.014) 37.409 2.141 ( 3.566 5.464 11.594) 13.304 2.398 ( -3.880 6.471 9.894) 12.443 2.588 ( -7.719 4.909 5.254) 10.550 2.693 ( -1.658 3.437 0.738) 3.887 2.758 ( -7.835 5.599 0.605) 9.649 2.855 ( -0.601 9.842 0.115) 9.861 3.152 ( 2.748 -5.245 -3.423) 6.839 3.176 ( 0.535 -0.667 5.032) 5.105 3.189 ( 2.742 0.494 5.241) 5.936 3.338 ( 0.208 4.091 1.672) 4.425 3.391 ( -3.755 3.498 1.602) 5.376 3.479 ( -1.792 5.066 -0.248) 5.379 3.540 ( 3.768 -8.264 0.722) 9.111 3.805 ( -11.243 1.091 -3.678) 11.879 4.060 ( 2.808 -2.631 3.811) 5.416 4.172 ( -0.819 6.144 5.887) 8.548 4.401 ( 1.296 13.221 -10.726) 17.073 4.499 ( 2.718 -1.842 -3.489) 4.791 4.736 ( -2.142 -2.483 -1.570) 3.636 5.171 ( -0.661 -5.030 -3.231) 6.015 5.298 ( -2.790 -7.121 -2.039) 7.916 5.433 ( -4.477 -7.087 4.048) 9.309 5.710 ( 0.088 3.469 0.397) 3.493 5.771 ( 2.045 -0.647 3.122) 3.787 5.783 ( -1.463 -0.031 6.173) 6.344 6.073 ( -4.301 0.163 2.831) 5.152 6.226 ( -7.017 -4.050 -5.719) 9.917 6.417 ( -2.320 -1.351 -10.026) 10.379 6.645 ( 11.745 -15.799 -0.376) 19.690 6.715 ( -2.041 4.648 -3.181) 5.991 6.972 ( 4.260 4.905 -12.402) 14.001 7.228 ( -2.704 -9.644 -3.167) 10.505 7.430 ( 10.177 0.434 5.805) 11.724 7.502 ( 1.523 -1.474 -2.894) 3.587 7.726 ( 0.637 6.173 2.205) 6.586 7.926 ( -6.557 4.289 -2.842) 8.335 8.056 ( 4.809 7.313 2.340) 9.060 8.360 ( 10.152 0.798 0.875) 10.221 8.462 ( -1.637 -2.512 -7.598) 8.168 8.691 ( -1.006 -5.498 8.458) 10.137 8.785 ( -4.895 1.373 -4.796) 6.989 8.926 ( 0.057 -1.521 3.842) 4.132 9.152 ( -8.844 5.786 13.128) 16.854 9.230 ( -0.783 8.357 -5.940) 10.283 9.500 ( -1.254 -0.002 -6.291) 6.415 10.078 ( 0.820 -3.323 3.104) 4.621 10.346 ( -3.436 7.452 1.541) 8.349 10.768 ( -5.738 -12.086 7.509) 15.342 10.920 ( -0.265 -4.154 1.827) 4.546 11.039 ( 1.372 1.656 -0.895) 2.329 11.189 ( 9.678 -0.722 -4.129) 10.547 11.384 ( 6.940 -0.052 -6.195) 9.302 11.848 ( 2.989 0.343 5.858) 6.586 11.960 ( -1.004 5.740 1.770) 6.090 12.221 ( -6.004 6.868 -4.161) 10.027 12.456 ( -1.458 1.195 -1.613) 2.481 12.755 ( -5.791 -8.634 -8.953) 13.721 13.112 ( -8.148 -6.248 0.103) 10.268 13.205 ( 4.835 -4.610 -6.645) 9.423 13.345 ( -9.281 2.577 -10.499) 14.248 13.570 ( -4.158 -0.127 4.118) 5.854 13.707 ( 0.419 3.337 3.195) 4.638 13.776 ( 0.530 -2.221 -2.606) 3.465 14.048 ( 3.800 -1.641 3.063) 5.149 14.375 ( 0.692 -1.286 4.757) 4.976 14.726 ( 3.416 -2.261 1.962) 4.542 14.793 ( 8.102 -13.238 4.558) 16.176 14.933 ( -2.992 -9.233 -1.828) 9.876 15.366 ( -5.542 -1.274 -0.763) 5.738 15.752 ( 7.442 1.512 3.681) 8.440 16.224 ( 2.709 0.708 8.538) 8.985 16.287 ( -4.781 7.927 -0.236) 9.260 16.380 ( 2.169 -0.501 1.827) 2.880 16.671 ( 0.278 5.242 -4.558) 6.952 16.702 ( 5.837 2.399 -4.549) 7.779 16.834 ( 2.578 7.555 -2.457) 8.352 17.211 ( -0.799 -1.908 -3.619) 4.169 24.667 ( 3.134 2.375 0.137) 3.935 24.765 ( 0.560 0.192 1.621) 1.726 25.011 ( -0.072 2.062 10.909) 11.102 25.043 ( -2.991 1.067 2.266) 3.902 25.540 ( -3.054 -0.418 1.599) 3.473 25.704 ( -3.897 0.703 -0.557) 3.999 25.751 ( 0.385 -5.854 4.972) 7.690 25.969 ( -1.558 -0.793 5.067) 5.361 27.256 ( -3.154 -0.700 4.402) 5.460 27.517 ( 1.302 1.472 1.415) 2.422 27.982 ( 4.886 -22.374 0.778) 22.915 28.383 ( 10.215 -18.075 0.452) 20.767 29.745 ( -7.258 0.153 -4.180) 8.377 30.302 ( 4.038 -13.558 -5.214) 15.077 30.701 ( -10.073 34.270 -7.742) 36.549 31.088 ( 5.964 18.097 -8.512) 20.869 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 11.762 -2.275 15.878) 19.890 1.536 ( 9.383 8.405 17.166) 21.292 1.861 ( -3.616 14.981 7.447) 17.116 2.161 ( -7.374 6.415 6.757) 11.882 2.314 ( -7.747 3.526 -0.792) 8.549 2.544 ( -11.555 12.605 3.501) 17.455 2.638 ( 9.998 4.855 12.743) 16.909 2.760 ( 1.745 4.041 3.402) 5.564 2.870 ( 1.401 6.490 0.003) 6.640 3.084 ( -8.555 -3.440 -1.181) 9.296 3.185 ( 0.014 -3.455 -0.555) 3.500 3.263 ( 1.583 3.058 -1.420) 3.724 3.334 ( -3.343 3.108 -1.438) 4.786 3.376 ( -5.186 7.598 2.630) 9.567 3.433 ( 3.578 9.276 13.287) 16.595 3.593 ( -1.898 -6.193 -5.364) 8.410 3.634 ( -0.733 -3.165 4.058) 5.199 4.033 ( -5.324 -0.468 3.134) 6.196 4.242 ( 2.711 1.386 1.302) 3.311 4.368 ( 1.291 2.886 -7.276) 7.934 4.511 ( -2.457 3.744 -1.553) 4.740 4.721 ( 1.941 1.397 -1.305) 2.724 5.080 ( -5.044 -5.381 -4.502) 8.641 5.224 ( -1.624 1.921 -4.071) 4.785 5.412 ( 0.021 -8.850 2.272) 9.137 5.722 ( 0.183 1.772 2.678) 3.216 5.776 ( 0.743 -1.763 1.156) 2.235 5.845 ( 0.443 1.595 7.854) 8.026 6.006 ( -6.123 -3.811 2.581) 7.660 6.077 ( -4.808 -1.447 -0.326) 5.031 6.349 ( 1.377 1.414 -10.162) 10.352 6.642 ( 0.510 1.422 -7.402) 7.555 6.741 ( -1.361 -4.178 2.200) 4.914 7.064 ( 7.401 -2.251 -7.606) 10.849 7.301 ( 11.655 -5.174 -1.660) 12.860 7.470 ( -1.556 -2.566 -1.819) 3.509 7.718 ( 5.378 -0.973 3.642) 6.567 7.743 ( -0.551 6.650 3.858) 7.708 7.850 ( 8.733 1.991 2.157) 9.213 8.097 ( -0.092 5.762 0.174) 5.765 8.264 ( -11.121 -3.163 -7.911) 14.009 8.553 ( 1.605 -1.114 0.033) 1.954 8.620 ( -6.919 0.387 -0.950) 6.995 8.728 ( 0.999 -2.736 0.085) 2.914 8.949 ( 1.625 4.067 9.087) 10.087 9.090 ( -1.813 5.443 -1.935) 6.054 9.160 ( -2.912 5.634 -7.678) 9.958 9.509 ( 2.774 -0.394 0.740) 2.898 10.123 ( 0.982 -2.475 2.900) 3.937 10.321 ( 1.065 6.344 0.841) 6.488 10.672 ( -8.787 -10.289 9.739) 16.671 10.904 ( -1.052 0.199 0.132) 1.079 11.106 ( 4.338 -2.862 -0.085) 5.198 11.262 ( 1.734 0.799 -5.778) 6.086 11.579 ( 14.797 -4.466 1.523) 15.531 11.843 ( -6.767 -3.364 -1.446) 7.695 11.965 ( -2.768 3.372 3.799) 5.785 12.106 ( -1.129 11.209 -2.306) 11.500 12.432 ( -0.421 1.334 1.274) 1.891 12.574 ( -7.113 -12.440 -9.417) 17.147 13.037 ( -1.568 0.013 -5.417) 5.639 13.164 ( -2.645 -0.498 -7.156) 7.645 13.248 ( 2.194 -7.219 0.843) 7.592 13.567 ( 1.022 -1.329 3.064) 3.493 13.698 ( -1.117 0.186 -2.550) 2.790 13.822 ( 2.973 -0.207 5.877) 6.590 14.162 ( 5.320 1.621 4.520) 7.167 14.317 ( -6.735 -4.059 0.166) 7.865 14.842 ( 0.235 0.532 -3.027) 3.082 14.872 ( 7.175 -5.442 0.953) 9.055 14.923 ( 1.043 -15.786 -0.958) 15.850 15.276 ( -5.447 -3.251 2.410) 6.785 15.798 ( 2.372 9.382 -4.246) 10.568 16.181 ( -7.314 9.120 1.253) 11.757 16.266 ( -1.293 -3.624 1.688) 4.201 16.393 ( -1.110 1.814 2.414) 3.217 16.661 ( -0.188 1.958 -2.368) 3.078 16.820 ( 7.103 2.819 -1.712) 7.831 16.909 ( 5.627 8.423 -0.855) 10.165 17.170 ( -1.283 -0.777 -1.916) 2.434 24.751 ( 5.088 1.064 2.010) 5.573 24.809 ( 2.338 0.054 0.336) 2.363 24.982 ( -4.731 2.130 2.199) 5.635 25.092 ( 1.840 1.329 13.348) 13.540 25.496 ( -2.222 -0.464 1.386) 2.659 25.643 ( -2.204 3.166 -0.908) 3.963 25.780 ( -0.053 -6.160 3.767) 7.221 25.971 ( -0.705 0.367 2.083) 2.230 27.208 ( -3.468 -0.370 2.668) 4.391 27.547 ( 0.843 1.711 2.325) 3.007 28.027 ( 1.408 -18.251 -2.896) 18.533 28.471 ( 0.853 -17.386 -6.158) 18.464 29.631 ( -2.899 0.039 -0.344) 2.919 30.321 ( 1.326 -13.289 -6.627) 14.909 30.569 ( -2.913 28.121 0.674) 28.280 31.132 ( 3.528 16.622 -6.023) 18.028 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -4.610 -1.244 10.958) 11.954 1.492 ( -19.849 -0.270 9.769) 22.125 1.895 ( -1.123 0.686 2.869) 3.156 2.099 ( 7.809 10.582 3.824) 13.696 2.272 ( -0.996 4.309 5.208) 6.832 2.479 ( 2.672 17.454 8.526) 19.608 2.676 ( -9.886 8.762 -1.392) 13.283 2.781 ( -5.733 12.384 4.060) 14.238 2.900 ( -4.876 5.584 -1.486) 7.561 2.985 ( 7.347 0.772 2.704) 7.867 3.161 ( -4.402 3.039 1.000) 5.442 3.196 ( -1.485 -1.169 -3.607) 4.072 3.269 ( -0.055 -0.241 -3.450) 3.459 3.385 ( 0.674 1.724 3.744) 4.176 3.481 ( -2.918 -6.004 -5.437) 8.609 3.578 ( -0.561 11.260 18.661) 21.802 3.739 ( 3.525 -1.194 4.961) 6.202 3.927 ( -2.839 1.801 -1.915) 3.869 4.237 ( -2.818 -0.309 -2.537) 3.804 4.419 ( 6.183 2.961 -3.743) 7.811 4.459 ( 1.213 4.361 -2.113) 4.996 4.713 ( -2.662 -4.973 -2.752) 6.276 4.998 ( -0.993 -6.250 -5.509) 8.390 5.213 ( 2.887 3.728 -2.054) 5.143 5.449 ( 1.652 -6.967 1.885) 7.404 5.722 ( -1.583 -0.268 3.404) 3.764 5.810 ( -7.157 -1.366 2.631) 7.746 5.818 ( 2.336 -3.286 2.201) 4.593 5.983 ( 1.927 -1.559 6.333) 6.801 6.053 ( 1.920 0.173 2.273) 2.980 6.351 ( 3.338 2.657 -8.111) 9.164 6.647 ( 2.163 -1.575 -2.383) 3.583 6.706 ( -2.073 1.745 0.118) 2.712 7.158 ( 5.383 -0.614 -1.081) 5.525 7.422 ( -1.914 -4.899 -2.550) 5.845 7.506 ( 7.128 -2.265 1.389) 7.607 7.665 ( -2.661 1.528 -3.166) 4.409 7.748 ( -5.003 1.474 0.711) 5.264 7.983 ( -9.215 2.482 -2.908) 9.977 8.061 ( -3.164 4.408 -2.895) 6.150 8.206 ( 17.042 -3.704 6.827) 18.728 8.508 ( -2.548 0.420 -1.800) 3.147 8.542 ( -2.716 -1.381 0.899) 3.177 8.724 ( -0.212 -3.318 -4.905) 5.926 8.983 ( -1.860 5.759 -13.482) 14.778 9.072 ( 2.355 1.517 9.581) 9.982 9.125 ( -0.437 4.669 6.423) 7.953 9.569 ( 3.036 0.535 -1.885) 3.613 10.126 ( -1.153 0.865 0.803) 1.650 10.396 ( 5.256 0.942 2.180) 5.768 10.557 ( -8.913 -8.044 9.955) 15.597 10.905 ( 1.159 3.074 0.467) 3.318 11.168 ( 0.595 -5.630 1.887) 5.967 11.289 ( 4.792 0.128 -1.220) 4.947 11.626 ( -9.238 -1.490 -7.950) 12.279 11.807 ( -8.045 4.535 -4.846) 10.429 11.882 ( 8.526 -5.777 3.797) 10.977 12.175 ( 4.999 8.553 3.740) 10.589 12.451 ( 0.321 -2.195 -1.111) 2.481 12.480 ( 4.016 -7.495 -3.235) 9.098 12.940 ( -2.673 2.665 -7.294) 8.213 13.121 ( 0.287 1.576 -10.394) 10.516 13.350 ( 5.788 -11.429 6.578) 14.402 13.633 ( 1.393 -3.121 0.127) 3.420 13.660 ( 0.320 -1.005 5.142) 5.249 13.916 ( 2.602 1.252 7.681) 8.206 14.181 ( -6.607 -4.563 -1.637) 8.195 14.267 ( 3.176 3.838 3.183) 5.912 14.777 ( -5.373 -13.463 -7.298) 16.229 14.856 ( -1.264 -1.750 -3.238) 3.891 15.056 ( 8.003 -5.957 -1.493) 10.088 15.169 ( -7.450 -2.946 3.660) 8.808 15.868 ( 7.362 11.902 -4.366) 14.660 16.050 ( -7.191 5.743 2.590) 9.560 16.211 ( -3.656 -2.519 -4.263) 6.155 16.362 ( -2.893 3.526 0.307) 4.571 16.641 ( 0.184 2.753 -3.148) 4.186 16.902 ( 1.833 4.202 -2.130) 5.055 16.966 ( 0.084 6.406 0.529) 6.429 17.188 ( 3.317 -0.635 2.551) 4.232 24.818 ( -2.324 -0.306 1.803) 2.957 24.863 ( 4.058 0.357 2.401) 4.729 24.915 ( -2.118 2.636 2.592) 4.261 25.224 ( 3.646 -1.027 17.741) 18.141 25.476 ( -0.733 -1.051 0.761) 1.491 25.610 ( -1.063 3.701 -0.772) 3.928 25.785 ( -1.453 -5.892 3.269) 6.893 25.958 ( -1.615 0.292 0.644) 1.763 27.173 ( -1.355 0.253 1.640) 2.143 27.568 ( -0.185 1.509 2.911) 3.284 28.007 ( -1.314 -17.560 -5.966) 18.593 28.381 ( -4.211 -11.245 -11.970) 16.955 29.631 ( 1.878 -0.888 2.264) 3.073 30.288 ( -0.555 -6.423 -7.357) 9.782 30.572 ( 1.596 18.693 2.649) 18.947 31.165 ( 3.254 15.722 -4.731) 16.738 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -23.198 0.107 9.094) 24.917 1.170 ( -20.057 7.794 12.677) 24.975 1.900 ( 2.159 3.733 2.931) 5.214 2.256 ( -15.529 23.485 5.979) 28.783 2.341 ( -0.555 9.358 14.766) 17.490 2.410 ( 2.823 10.039 4.216) 11.249 2.655 ( 8.994 12.809 5.218) 16.498 2.677 ( -2.215 2.038 -1.265) 3.265 2.862 ( -1.053 10.348 -0.767) 10.430 3.034 ( -1.744 2.700 -3.378) 4.663 3.122 ( 1.989 4.365 0.916) 4.883 3.213 ( -0.849 -4.085 -1.634) 4.481 3.249 ( 1.629 1.097 0.617) 2.059 3.387 ( -0.550 -0.859 -1.929) 2.183 3.472 ( 2.254 -5.049 1.683) 5.780 3.536 ( -6.655 3.005 0.607) 7.328 3.806 ( 1.793 3.794 3.778) 5.646 3.989 ( 5.354 8.503 4.450) 10.990 4.168 ( -2.816 -1.796 1.532) 3.675 4.438 ( 2.040 10.590 -7.530) 13.153 4.582 ( 7.880 -8.761 -3.235) 12.220 4.625 ( -4.133 -2.371 -2.336) 5.307 4.985 ( 3.254 -8.871 -5.476) 10.921 5.308 ( 6.250 3.074 1.242) 7.075 5.452 ( -1.470 -5.245 0.108) 5.448 5.677 ( -7.989 -5.345 7.472) 12.174 5.750 ( 2.168 -1.883 -0.884) 3.005 5.884 ( 3.401 -4.213 2.660) 6.033 6.007 ( -3.216 3.280 6.327) 7.819 6.189 ( 9.600 -3.620 1.922) 10.438 6.349 ( 0.260 1.412 -8.078) 8.205 6.661 ( -1.440 -1.183 5.581) 5.884 6.701 ( 2.564 6.614 -4.788) 8.558 7.243 ( 2.825 2.792 0.919) 4.077 7.358 ( -7.688 -2.959 -6.405) 10.435 7.451 ( -6.442 -6.891 2.648) 9.797 7.585 ( -3.919 -3.348 -1.622) 5.403 7.654 ( 0.769 0.005 -1.606) 1.781 7.940 ( -6.369 3.814 -5.347) 9.149 8.024 ( 6.052 7.225 6.034) 11.191 8.367 ( -4.587 -5.404 -3.378) 7.852 8.514 ( 0.345 -4.177 2.499) 4.880 8.555 ( 8.107 1.656 -2.255) 8.576 8.663 ( -0.763 -0.516 -9.942) 9.985 8.916 ( -0.311 4.546 -2.693) 5.293 9.119 ( 0.113 6.822 4.542) 8.196 9.229 ( 3.179 -2.156 17.087) 17.514 9.585 ( 1.838 1.455 -7.977) 8.314 10.112 ( -0.354 -0.851 0.340) 0.982 10.414 ( -6.147 3.218 5.776) 9.028 10.568 ( 6.178 -8.632 6.240) 12.314 10.939 ( 1.714 3.250 0.786) 3.758 11.135 ( -4.847 -7.017 3.512) 9.223 11.345 ( -5.488 -4.151 -4.059) 7.989 11.452 ( -1.037 3.227 -7.499) 8.229 11.658 ( -0.596 3.455 -2.520) 4.317 12.004 ( 2.523 -4.247 1.932) 5.304 12.308 ( 6.710 1.747 4.739) 8.398 12.521 ( 8.006 -1.206 -2.184) 8.386 12.584 ( 6.802 1.239 0.921) 6.975 12.884 ( -0.494 2.058 -8.326) 8.590 13.083 ( 3.456 2.282 -10.102) 10.918 13.465 ( 3.219 -4.367 -0.181) 5.429 13.611 ( -0.568 -6.049 6.145) 8.641 13.786 ( 5.022 -5.893 10.213) 12.816 13.984 ( 0.013 2.511 6.478) 6.947 14.076 ( -3.488 -4.181 -1.671) 5.695 14.301 ( -0.348 5.000 1.168) 5.146 14.573 ( -11.216 -17.351 -9.435) 22.713 14.850 ( 1.737 0.205 -0.902) 1.968 15.041 ( -6.638 -2.623 0.929) 7.198 15.158 ( 3.076 -3.513 -3.829) 6.039 15.934 ( -5.827 1.272 -0.376) 5.976 15.993 ( 3.973 6.961 1.202) 8.105 16.108 ( -2.130 2.987 -7.257) 8.132 16.322 ( -0.285 2.923 0.090) 2.939 16.645 ( 2.257 4.937 -3.432) 6.422 16.860 ( -2.688 8.935 -6.075) 11.133 16.949 ( -3.742 -0.034 4.680) 5.992 17.267 ( 2.754 0.382 1.709) 3.263 24.736 ( -5.949 1.139 1.619) 6.269 24.890 ( -0.505 2.004 3.098) 3.724 24.977 ( 3.512 -0.778 3.653) 5.127 25.405 ( 2.518 -8.886 18.166) 20.379 25.461 ( -0.657 -2.009 0.946) 2.316 25.608 ( 1.382 3.068 4.346) 5.496 25.764 ( -2.509 -4.791 3.674) 6.538 25.925 ( -2.031 -0.246 1.312) 2.430 27.177 ( 0.766 0.605 1.692) 1.953 27.564 ( -2.100 0.966 1.966) 3.035 27.885 ( -7.524 -15.101 -12.224) 20.834 28.236 ( -3.578 -6.746 -10.526) 13.004 29.714 ( 5.678 0.428 1.876) 5.995 30.235 ( -0.658 -1.726 -7.233) 7.465 30.646 ( 5.446 15.752 1.120) 16.704 31.201 ( 3.331 15.310 -5.895) 16.740 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -7.418 16.946 19.082) 26.576 0.911 ( -15.039 16.644 20.177) 30.171 1.806 ( -29.180 39.006 19.330) 52.408 1.978 ( 2.869 3.355 4.011) 5.964 2.392 ( -1.782 18.078 16.499) 24.541 2.554 ( 3.228 -2.827 -3.372) 5.458 2.739 ( 6.381 5.031 0.093) 8.126 2.815 ( 5.308 9.777 1.397) 11.212 2.880 ( 3.540 10.039 4.839) 11.693 3.012 ( 1.132 0.904 2.587) 2.965 3.116 ( -7.162 0.032 0.828) 7.210 3.183 ( 2.906 -1.677 -1.442) 3.651 3.317 ( 3.488 1.890 -0.972) 4.084 3.376 ( 1.421 -4.859 -4.453) 6.742 3.441 ( -2.131 1.322 -2.015) 3.217 3.519 ( 0.193 -4.527 3.571) 5.769 3.833 ( 1.580 6.723 0.544) 6.927 4.068 ( 0.834 1.383 1.567) 2.250 4.202 ( 2.748 4.533 6.024) 8.024 4.425 ( 1.252 10.629 -7.895) 13.300 4.550 ( -1.965 5.311 -2.805) 6.320 4.686 ( 6.536 -9.685 -5.021) 12.717 5.059 ( 6.722 -9.776 -4.963) 12.860 5.340 ( -4.312 -11.995 2.755) 13.041 5.500 ( 7.470 6.396 -1.196) 9.906 5.578 ( -6.140 -9.357 6.652) 13.019 5.776 ( 0.137 -0.043 -1.247) 1.255 5.914 ( -7.729 2.470 6.061) 10.128 5.994 ( 4.861 -7.409 5.500) 10.429 6.273 ( -3.566 2.741 -4.763) 6.551 6.383 ( 8.198 -0.840 -0.039) 8.241 6.628 ( -4.161 6.143 -0.843) 7.468 6.752 ( 4.104 0.688 0.430) 4.183 7.085 ( -7.881 0.230 -5.403) 9.558 7.321 ( 2.465 0.643 -1.930) 3.196 7.470 ( 1.005 -3.036 -1.078) 3.375 7.560 ( -2.204 0.561 -6.532) 6.917 7.601 ( 2.136 -1.018 -2.331) 3.322 7.819 ( -6.866 -1.330 5.783) 9.075 8.125 ( -1.242 5.883 0.568) 6.039 8.233 ( -1.080 -4.100 -4.431) 6.132 8.486 ( -1.188 -3.889 -1.357) 4.287 8.644 ( 2.210 1.942 -2.418) 3.809 8.681 ( 4.508 3.031 1.115) 5.546 8.909 ( -0.680 0.350 0.275) 0.813 9.140 ( -0.890 9.440 5.526) 10.974 9.369 ( 0.910 -11.034 13.039) 17.105 9.586 ( 3.429 2.236 -5.152) 6.581 10.109 ( -1.360 -4.705 2.323) 5.420 10.364 ( -0.948 5.879 2.944) 6.643 10.710 ( 4.033 -7.965 5.946) 10.727 10.956 ( -2.055 1.757 0.803) 2.820 11.067 ( -0.800 -4.330 1.685) 4.715 11.196 ( -5.760 -0.090 -1.169) 5.879 11.322 ( -6.944 -1.608 -7.528) 10.367 11.768 ( 7.704 2.906 -2.148) 8.510 12.017 ( -0.926 -1.832 -3.173) 3.779 12.423 ( 2.449 -4.198 1.552) 5.102 12.581 ( 0.010 7.709 -15.731) 17.518 12.805 ( 3.181 3.445 -10.888) 11.855 12.868 ( 18.820 3.400 10.892) 22.009 13.143 ( 5.207 -6.675 -8.617) 12.080 13.522 ( 4.543 5.987 4.910) 8.977 13.653 ( -0.432 -7.730 4.515) 8.962 13.934 ( -6.805 3.226 -0.354) 7.539 13.959 ( 7.324 -11.942 8.902) 16.598 14.049 ( 1.970 -1.611 2.295) 3.427 14.238 ( -16.270 -12.765 -8.971) 22.542 14.357 ( 0.838 -6.237 8.103) 10.260 14.891 ( -6.942 3.983 0.068) 8.004 14.949 ( 7.381 3.040 3.761) 8.824 15.139 ( -2.906 -3.058 -3.883) 5.734 15.729 ( -14.107 -6.128 0.374) 15.385 16.045 ( 1.227 5.563 2.982) 6.430 16.137 ( 7.208 5.035 -3.816) 9.585 16.364 ( 2.979 3.954 1.233) 5.102 16.687 ( 4.152 4.788 -5.009) 8.079 16.768 ( -2.281 10.862 -10.172) 15.055 16.879 ( -5.572 1.348 4.349) 7.196 17.284 ( -1.415 -1.995 -0.307) 2.465 24.650 ( -3.521 1.946 0.869) 4.116 24.897 ( -1.004 1.166 4.009) 4.294 25.042 ( 1.310 -0.916 3.264) 3.634 25.279 ( -13.758 -8.652 -4.299) 16.811 25.549 ( 0.995 -4.414 7.540) 8.794 25.734 ( -0.394 -3.511 0.483) 3.566 25.757 ( 1.739 -7.887 16.382) 18.264 25.939 ( 0.890 -9.776 15.106) 18.015 27.207 ( 0.952 -0.103 2.602) 2.772 27.469 ( -6.483 2.876 -4.617) 8.462 27.692 ( -3.621 -1.333 -2.607) 4.657 28.164 ( 0.395 -4.680 -5.837) 7.492 29.843 ( 6.733 -0.823 -0.966) 6.852 30.200 ( 1.619 -1.098 -7.444) 7.697 30.792 ( 11.222 19.804 -4.330) 23.171 31.199 ( 0.466 16.716 -13.169) 21.285 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -8.339 25.066 12.366) 29.167 1.404 ( 4.287 25.077 8.066) 26.689 2.125 ( 0.578 3.703 7.009) 7.948 2.369 ( -4.593 22.629 9.200) 24.855 2.528 ( 4.057 0.888 -1.589) 4.447 2.705 ( -0.485 5.194 6.667) 8.466 2.879 ( 2.114 -1.870 -4.443) 5.264 2.935 ( -9.599 4.782 2.303) 10.968 2.990 ( -3.645 0.108 -2.599) 4.478 3.095 ( -0.951 3.388 4.507) 5.718 3.184 ( 0.217 3.084 0.554) 3.141 3.237 ( 1.689 10.318 -0.029) 10.455 3.317 ( 5.047 2.371 3.121) 6.391 3.431 ( -4.081 3.719 -1.646) 5.761 3.487 ( 0.906 4.601 3.112) 5.628 3.605 ( 4.719 9.347 3.728) 11.114 3.946 ( -0.038 -0.943 1.345) 1.643 4.024 ( -5.548 2.235 -1.018) 6.067 4.358 ( -3.321 7.783 -1.104) 8.533 4.465 ( 0.233 -11.968 -5.340) 13.107 4.553 ( -0.275 3.707 1.440) 3.986 4.878 ( 4.607 5.798 -3.908) 8.374 4.900 ( 3.393 -10.083 3.049) 11.066 4.955 ( 5.185 -10.425 3.454) 12.145 5.253 ( -5.084 -14.635 8.625) 17.732 5.686 ( 3.950 2.477 -0.870) 4.743 5.820 ( -0.145 0.553 -1.217) 1.345 5.864 ( -6.948 2.286 5.725) 9.288 5.990 ( 9.881 -3.491 -1.359) 10.567 6.191 ( -7.218 -0.295 0.741) 7.262 6.427 ( -3.149 -0.514 -1.358) 3.467 6.617 ( -2.976 2.160 -4.781) 6.032 6.832 ( 0.068 0.344 -8.264) 8.271 7.029 ( 1.476 1.861 -2.682) 3.582 7.190 ( -6.704 -5.322 -3.442) 9.226 7.394 ( 2.353 -3.081 -10.201) 10.913 7.495 ( -2.571 2.657 -0.111) 3.699 7.691 ( 5.925 -2.279 10.420) 12.201 7.925 ( 9.682 7.164 2.776) 12.360 8.180 ( 3.229 -0.217 4.208) 5.309 8.280 ( 0.407 5.865 -2.268) 6.301 8.361 ( 0.154 -5.669 -2.958) 6.396 8.623 ( -4.916 -2.681 7.761) 9.570 8.812 ( 5.555 0.088 -1.370) 5.723 8.905 ( -1.802 2.729 -2.567) 4.158 9.152 ( -2.911 -5.680 11.068) 12.777 9.423 ( 0.800 8.767 -1.456) 8.923 9.620 ( -1.145 2.251 -9.407) 9.740 10.019 ( -1.639 -1.049 5.081) 5.441 10.475 ( 2.474 -4.094 1.950) 5.165 10.577 ( -4.750 -1.504 5.398) 7.346 10.918 ( -1.327 -0.791 -1.207) 1.960 11.102 ( -0.764 -0.309 -2.547) 2.677 11.129 ( -1.965 -1.296 -4.580) 5.149 11.279 ( 9.116 7.596 0.139) 11.867 11.883 ( -1.407 2.268 -1.861) 3.254 12.029 ( 1.606 1.451 -4.070) 4.610 12.322 ( -2.393 -4.505 -2.001) 5.480 12.605 ( -0.871 -0.683 -10.507) 10.565 12.819 ( -2.214 3.863 -3.981) 5.972 12.884 ( 0.112 -12.254 -6.896) 14.061 13.173 ( -1.335 -1.827 -5.864) 6.286 13.445 ( -0.610 -9.649 -4.374) 10.612 13.637 ( -1.276 -13.598 2.058) 13.812 13.669 ( -7.683 -4.531 2.888) 9.376 13.778 ( -1.324 3.259 4.988) 6.104 13.971 ( 2.374 5.527 0.323) 6.024 14.286 ( 9.509 4.238 6.502) 12.275 14.317 ( 2.425 -2.996 9.642) 10.384 14.851 ( -2.857 -0.966 -2.678) 4.033 14.905 ( -6.167 -0.263 -2.693) 6.734 15.324 ( 3.517 -4.232 9.846) 11.279 15.632 ( 5.073 8.866 2.873) 10.611 16.110 ( 5.023 -7.316 4.220) 9.826 16.294 ( 1.847 9.952 1.985) 10.315 16.581 ( -4.359 5.234 -1.134) 6.905 16.721 ( -0.210 3.026 -3.668) 4.760 16.759 ( 1.787 1.863 -3.344) 4.225 16.961 ( -0.473 2.895 -4.430) 5.313 17.106 ( -0.786 -8.256 -0.634) 8.317 24.679 ( 0.903 2.190 -0.591) 2.442 24.797 ( -5.978 -2.158 2.561) 6.852 25.027 ( -0.778 1.823 6.709) 6.995 25.079 ( -0.888 0.558 3.058) 3.233 25.507 ( -0.489 -2.571 6.151) 6.685 25.646 ( -0.837 -4.148 0.836) 4.314 25.752 ( -0.593 1.902 2.654) 3.319 25.905 ( 0.931 -1.731 3.153) 3.715 27.246 ( -0.109 1.045 3.144) 3.315 27.561 ( 0.771 6.388 -0.618) 6.463 27.585 ( -0.686 -7.323 1.011) 7.424 28.073 ( 3.038 -7.421 -2.137) 8.298 29.820 ( -1.534 -1.698 -1.030) 2.510 30.046 ( 1.220 -8.502 -1.529) 8.724 31.273 ( 1.970 11.963 -3.416) 12.596 31.419 ( 1.470 10.723 -14.789) 18.327 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -9.312 20.953 9.658) 24.880 1.594 ( 8.189 19.841 13.787) 25.511 2.115 ( -7.070 1.556 7.325) 10.299 2.344 ( -3.272 5.248 2.299) 6.598 2.573 ( -1.842 2.886 -5.063) 6.112 2.750 ( -6.114 10.488 1.777) 12.269 2.753 ( -1.473 3.593 2.772) 4.771 2.900 ( 2.679 5.184 7.283) 9.332 2.915 ( -2.843 -1.083 0.217) 3.051 3.107 ( -3.531 2.931 2.228) 5.101 3.168 ( 0.758 1.386 -0.134) 1.585 3.224 ( 2.116 0.066 -1.201) 2.434 3.367 ( -1.240 1.359 -2.950) 3.476 3.456 ( 4.666 4.749 2.853) 7.244 3.540 ( 2.935 6.523 2.465) 7.565 3.669 ( -1.819 10.303 0.672) 10.484 3.851 ( -6.296 4.164 0.371) 7.558 4.019 ( 1.603 0.810 4.423) 4.774 4.276 ( -3.512 5.157 0.798) 6.290 4.351 ( -6.401 -10.264 -2.046) 12.268 4.605 ( 2.687 3.575 1.726) 4.794 4.864 ( -1.781 7.463 -3.272) 8.342 5.005 ( 2.069 -9.423 1.480) 9.760 5.090 ( 6.362 -5.661 2.983) 9.023 5.231 ( -2.214 -12.970 4.774) 13.997 5.742 ( -1.729 1.135 -0.983) 2.290 5.767 ( 1.310 -2.509 0.651) 2.904 5.814 ( -2.533 4.089 3.832) 6.150 6.062 ( -4.502 -0.688 2.161) 5.041 6.136 ( 0.549 -2.637 -5.030) 5.706 6.348 ( -1.322 -2.492 -1.721) 3.304 6.580 ( 2.302 1.480 0.986) 2.909 6.788 ( 0.733 -0.713 -7.536) 7.605 7.020 ( -0.052 3.713 -9.662) 10.351 7.096 ( 0.378 -2.203 -2.165) 3.112 7.443 ( 1.738 -3.882 -1.625) 4.553 7.482 ( 5.807 4.376 3.946) 8.272 7.818 ( 2.268 2.798 4.303) 5.612 8.031 ( -1.882 5.182 0.377) 5.527 8.212 ( -1.306 0.935 1.697) 2.336 8.296 ( 1.949 0.949 -0.464) 2.217 8.425 ( 5.984 -1.627 -3.344) 7.045 8.604 ( 0.900 -2.349 7.427) 7.841 8.835 ( -3.837 2.393 -5.090) 6.809 8.886 ( 0.742 -1.451 5.071) 5.326 9.174 ( -1.312 -4.201 8.299) 9.394 9.396 ( -1.987 6.890 -6.538) 9.704 9.519 ( -2.563 1.568 -8.540) 9.053 10.036 ( 0.378 -0.137 5.948) 5.962 10.492 ( -7.127 -7.393 7.088) 12.477 10.520 ( 1.020 3.241 1.736) 3.816 10.889 ( -0.505 -1.228 -1.728) 2.179 11.104 ( 1.950 4.041 -1.832) 4.846 11.169 ( 9.032 -0.903 -2.926) 9.537 11.437 ( 6.080 5.128 -7.413) 10.873 11.776 ( -4.741 -3.090 1.080) 5.761 12.027 ( -2.612 0.032 0.803) 2.732 12.277 ( -0.506 -1.103 -1.224) 1.724 12.497 ( -5.354 -3.398 -5.806) 8.597 12.659 ( -8.721 3.537 -7.833) 12.244 12.884 ( -1.338 -15.875 -1.752) 16.027 13.026 ( -5.770 -7.688 -6.588) 11.653 13.389 ( -1.368 -0.905 -8.327) 8.487 13.556 ( -4.305 -6.837 0.036) 8.080 13.639 ( 0.848 -1.175 3.400) 3.696 13.781 ( -1.671 1.007 5.032) 5.397 14.074 ( 4.973 5.137 4.738) 8.577 14.381 ( 1.563 -0.400 5.026) 5.279 14.575 ( 10.334 -1.132 9.264) 13.924 14.752 ( -1.323 3.852 -3.528) 5.388 14.836 ( -1.356 -4.653 -2.842) 5.618 15.291 ( -6.259 -6.401 2.239) 9.229 15.865 ( 10.160 7.952 6.341) 14.375 16.242 ( 3.250 -4.652 4.212) 7.068 16.303 ( -0.425 6.180 4.045) 7.398 16.487 ( -3.993 3.804 -2.699) 6.140 16.656 ( -0.901 -1.924 -5.466) 5.864 16.834 ( 3.856 6.492 -0.407) 7.562 16.934 ( 2.543 0.956 -2.122) 3.447 17.149 ( 4.277 -3.406 -4.917) 7.353 24.709 ( 2.183 1.529 0.110) 2.667 24.766 ( 1.175 -0.199 1.251) 1.728 25.064 ( 0.194 2.665 8.896) 9.289 25.078 ( -1.197 2.086 2.296) 3.325 25.510 ( -1.909 -1.849 3.659) 4.522 25.637 ( -0.696 -4.809 1.857) 5.202 25.746 ( -1.014 3.024 0.977) 3.336 25.940 ( 0.685 -1.998 3.107) 3.757 27.243 ( -2.096 0.099 2.635) 3.369 27.582 ( 0.973 4.811 0.747) 4.965 27.604 ( 2.270 -12.766 0.592) 12.980 28.119 ( 2.820 -11.040 -2.486) 11.662 29.749 ( -4.641 0.952 -1.309) 4.915 30.057 ( 0.537 -9.612 -1.241) 9.707 31.213 ( -4.249 16.779 -5.401) 18.132 31.400 ( 3.030 10.627 -9.767) 14.749 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 5.432 9.179 11.045) 15.354 1.730 ( -7.098 7.258 12.055) 15.760 1.981 ( -3.958 2.482 1.311) 4.852 2.327 ( -1.577 6.873 5.916) 9.205 2.373 ( -11.671 1.722 -2.993) 12.171 2.679 ( -2.859 1.791 -0.809) 3.469 2.738 ( -0.567 -2.065 0.918) 2.330 2.907 ( 0.155 -9.808 -0.276) 9.813 2.930 ( -1.422 5.743 1.544) 6.115 3.062 ( -0.994 7.387 -0.136) 7.455 3.228 ( 5.341 8.178 0.068) 9.768 3.333 ( -0.250 4.547 -6.290) 7.766 3.386 ( 10.140 -1.944 7.076) 12.517 3.491 ( -0.762 6.519 2.469) 7.012 3.539 ( -6.254 4.319 0.998) 7.665 3.598 ( 0.458 11.072 -1.598) 11.196 3.844 ( 0.874 16.493 9.808) 19.209 4.043 ( -1.913 2.376 4.220) 5.207 4.227 ( -5.390 -2.285 3.563) 6.853 4.282 ( -0.083 -6.238 3.934) 7.375 4.604 ( -3.623 -1.662 -2.425) 4.666 4.798 ( -3.231 5.630 -5.011) 8.200 4.979 ( -2.482 -4.078 -1.327) 4.955 5.193 ( 0.551 -9.597 1.879) 9.794 5.244 ( 5.120 -0.855 1.089) 5.304 5.682 ( -3.326 -3.611 -0.254) 4.916 5.777 ( -0.921 -2.654 -2.674) 3.878 5.824 ( 0.834 0.071 4.756) 4.829 5.974 ( -8.175 2.068 1.634) 8.590 6.093 ( 1.453 2.981 1.018) 3.469 6.335 ( 1.283 -1.057 -3.731) 4.084 6.709 ( 6.149 0.869 5.848) 8.531 6.769 ( -0.356 3.556 -4.200) 5.515 6.964 ( -0.250 -1.233 -4.556) 4.727 7.192 ( 12.343 -4.578 -6.275) 14.584 7.437 ( -0.864 -1.819 -2.001) 2.839 7.701 ( 9.834 -0.572 7.424) 12.335 7.829 ( -2.056 1.293 -2.331) 3.366 7.962 ( -1.646 7.019 -0.680) 7.241 8.158 ( -5.334 -0.452 2.616) 5.958 8.280 ( -1.430 5.674 -4.694) 7.502 8.494 ( 1.742 -3.587 4.170) 5.770 8.646 ( -3.366 0.819 0.621) 3.520 8.714 ( -2.904 1.839 -7.964) 8.674 8.964 ( 3.546 -1.566 9.922) 10.652 9.147 ( -4.656 -1.756 0.832) 5.045 9.286 ( -2.602 5.840 -10.654) 12.426 9.495 ( 2.478 -0.864 -1.871) 3.223 10.086 ( 1.360 -0.307 5.457) 5.632 10.396 ( -7.412 -6.283 8.368) 12.823 10.543 ( 0.179 5.407 2.827) 6.104 10.896 ( 2.183 -0.607 -1.756) 2.867 11.148 ( 2.881 5.925 -1.220) 6.700 11.309 ( 2.150 3.398 -4.333) 5.911 11.495 ( 11.793 -3.394 -1.455) 12.358 11.738 ( -3.246 -5.659 -3.108) 7.227 11.970 ( -3.753 -1.762 1.655) 4.464 12.241 ( -2.908 -1.276 -8.188) 8.783 12.354 ( -6.546 -5.838 -1.500) 8.899 12.504 ( -2.025 3.668 -1.341) 4.399 12.834 ( -2.647 -18.148 1.137) 18.376 12.955 ( 0.131 -6.057 -1.389) 6.216 13.342 ( 0.711 3.172 -7.621) 8.286 13.510 ( -0.863 -3.872 0.862) 4.060 13.669 ( 0.281 -0.912 -1.339) 1.645 13.791 ( -0.427 -2.974 8.685) 9.190 14.160 ( 0.333 2.393 5.921) 6.395 14.385 ( -0.902 7.397 0.385) 7.462 14.695 ( 1.777 -4.928 -2.384) 5.755 14.788 ( 3.190 -3.628 -3.619) 6.036 14.851 ( 3.514 0.237 3.374) 4.877 15.182 ( -6.477 -6.271 2.716) 9.415 16.001 ( 4.243 10.794 0.330) 11.602 16.219 ( -2.927 -0.411 0.305) 2.971 16.305 ( -6.294 2.108 -0.337) 6.647 16.457 ( 2.929 2.218 2.018) 4.191 16.654 ( 1.572 -0.441 -3.497) 3.859 16.868 ( 1.794 1.340 0.414) 2.277 17.053 ( 8.115 2.704 0.985) 8.610 17.167 ( 0.860 1.494 -6.662) 6.882 24.770 ( 3.692 0.648 1.891) 4.198 24.806 ( 1.573 -0.424 0.983) 1.903 25.049 ( -2.985 4.030 2.252) 5.497 25.130 ( 1.335 2.119 9.651) 9.971 25.486 ( -2.048 -0.652 1.904) 2.871 25.634 ( -0.806 -5.993 1.319) 6.189 25.733 ( -0.734 3.932 0.951) 4.112 25.957 ( -0.322 -1.764 1.539) 2.363 27.209 ( -2.309 0.802 1.786) 3.027 27.602 ( 0.468 3.422 1.692) 3.846 27.653 ( 2.032 -15.141 0.617) 15.289 28.137 ( 1.046 -14.433 -5.168) 15.366 29.668 ( -2.978 3.097 0.074) 4.297 30.053 ( -0.070 -10.510 -1.480) 10.614 31.120 ( -2.218 21.012 -4.937) 21.698 31.407 ( 2.281 9.326 -6.229) 11.444 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -2.401 5.909 8.311) 10.476 1.507 ( -11.975 1.574 5.852) 13.421 1.961 ( -3.177 5.276 1.268) 6.288 2.233 ( 1.045 2.214 -1.043) 2.661 2.364 ( 1.777 5.246 7.099) 9.004 2.662 ( -2.009 -3.788 2.233) 4.835 2.752 ( 4.640 2.204 1.117) 5.257 2.886 ( -0.291 0.248 -1.270) 1.327 2.963 ( 2.547 -6.142 2.101) 6.973 3.084 ( 2.431 3.973 2.423) 5.251 3.231 ( -3.050 5.257 -7.330) 9.522 3.341 ( 1.564 9.707 -0.459) 9.843 3.437 ( -2.290 11.315 -1.663) 11.664 3.483 ( 0.098 10.058 -2.012) 10.257 3.510 ( -0.139 9.855 3.121) 10.339 3.726 ( 8.161 4.340 11.349) 14.637 3.857 ( -12.027 13.948 13.965) 23.113 4.036 ( 3.278 10.542 3.120) 11.472 4.120 ( -5.192 -7.764 -0.095) 9.340 4.348 ( 2.315 -7.114 8.959) 11.672 4.507 ( -1.692 -7.453 -7.619) 10.792 4.678 ( -5.308 1.370 -9.022) 10.557 4.947 ( -0.068 3.864 -3.329) 5.101 5.194 ( -0.173 -8.606 2.376) 8.930 5.366 ( 5.589 0.346 1.029) 5.693 5.617 ( -3.919 -7.391 -0.665) 8.392 5.735 ( -1.133 -0.492 -2.627) 2.903 5.805 ( -3.882 -5.068 -1.418) 6.539 5.927 ( 2.479 2.718 5.606) 6.705 6.140 ( 1.567 4.308 2.526) 5.234 6.360 ( 1.901 0.092 -0.361) 1.937 6.709 ( -3.935 7.101 1.277) 8.218 6.835 ( 5.419 6.712 1.666) 8.786 7.015 ( 5.600 -9.263 1.266) 10.898 7.339 ( 0.209 -5.466 -2.073) 5.849 7.450 ( 6.515 -3.179 -2.141) 7.559 7.686 ( -10.656 -3.896 -5.926) 12.800 7.735 ( -4.381 4.276 -5.671) 8.344 7.994 ( 1.370 -3.231 -1.013) 3.652 8.137 ( -2.731 4.508 4.499) 6.930 8.272 ( 7.023 7.530 0.904) 10.336 8.497 ( -3.294 -0.607 0.714) 3.424 8.585 ( -1.095 4.859 -1.236) 5.132 8.651 ( -0.183 -3.937 -5.257) 6.570 9.036 ( -3.396 -0.666 -6.912) 7.730 9.066 ( 1.579 -2.268 9.285) 9.688 9.253 ( 1.763 6.768 -0.433) 7.007 9.549 ( 3.740 -2.317 -2.902) 5.270 10.126 ( -0.216 -0.244 2.506) 2.527 10.325 ( -4.758 -7.259 10.645) 13.734 10.556 ( -0.247 7.467 2.533) 7.889 10.937 ( 2.543 -0.085 -1.090) 2.768 11.162 ( -1.302 4.825 -1.032) 5.103 11.324 ( 3.095 3.554 -0.643) 4.757 11.601 ( -6.543 -1.905 -6.004) 9.082 11.739 ( 5.518 -5.658 -0.292) 7.908 11.861 ( -2.548 -0.328 -4.019) 4.770 12.174 ( 3.419 -12.580 -8.710) 15.678 12.279 ( -0.027 0.879 0.058) 0.881 12.578 ( 5.960 5.590 6.157) 10.231 12.825 ( 1.343 -15.943 2.166) 16.145 12.982 ( 1.656 -4.460 1.103) 4.884 13.329 ( 1.885 0.679 -5.393) 5.753 13.515 ( 0.505 -5.233 -1.894) 5.588 13.646 ( -1.288 -0.434 2.424) 2.779 13.846 ( 0.630 -6.494 8.068) 10.376 14.138 ( -3.995 4.140 2.797) 6.397 14.400 ( 0.873 6.611 1.129) 6.763 14.634 ( -4.633 -1.016 -7.966) 9.271 14.825 ( 1.271 -6.002 -1.801) 6.394 14.915 ( 2.176 -2.543 -0.416) 3.373 15.105 ( -2.910 -3.751 4.698) 6.680 16.084 ( 3.930 10.365 1.669) 11.210 16.110 ( -7.444 0.738 -4.074) 8.518 16.208 ( -2.070 0.518 -4.049) 4.577 16.479 ( -1.619 3.849 0.290) 4.186 16.675 ( 2.645 2.750 -1.874) 4.251 16.910 ( 0.936 -0.195 2.721) 2.884 17.104 ( -3.243 0.722 -3.391) 4.747 17.203 ( 6.101 3.386 -1.250) 7.089 24.815 ( -1.651 -0.040 2.207) 2.757 24.855 ( 3.486 -0.929 3.373) 4.938 24.999 ( -3.132 4.962 1.645) 6.094 25.209 ( 0.772 -0.460 10.899) 10.936 25.459 ( -1.615 -0.682 0.524) 1.830 25.616 ( -1.334 -4.898 0.314) 5.086 25.732 ( -0.184 3.117 1.677) 3.544 25.944 ( -1.399 -1.543 0.162) 2.089 27.192 ( -0.381 1.957 1.810) 2.693 27.615 ( -0.245 2.705 2.039) 3.396 27.671 ( -0.520 -13.403 0.406) 13.419 28.103 ( -0.631 -13.755 -7.872) 15.861 29.655 ( 1.081 2.773 1.592) 3.375 30.043 ( 0.098 -10.670 -1.923) 10.843 31.084 ( 1.059 21.691 -4.491) 22.176 31.421 ( 2.587 8.505 -5.183) 10.290 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -7.831 14.891 11.940) 20.631 1.430 ( -7.180 14.279 6.554) 17.274 1.949 ( 3.050 1.069 1.875) 3.736 2.344 ( 5.598 -4.168 1.310) 7.101 2.477 ( 8.600 4.441 4.492) 10.671 2.667 ( 1.880 2.791 2.439) 4.156 2.868 ( 6.372 1.593 0.707) 6.606 2.888 ( -2.214 8.425 0.445) 8.722 3.019 ( 1.213 -2.488 5.128) 5.828 3.132 ( -1.757 9.514 2.161) 9.914 3.158 ( -1.479 3.769 -3.675) 5.468 3.288 ( -8.374 16.588 4.672) 19.160 3.297 ( -3.058 5.271 -4.042) 7.312 3.484 ( -0.755 7.024 0.576) 7.088 3.579 ( 0.769 16.630 0.426) 16.654 3.645 ( -10.117 7.295 0.510) 12.483 3.852 ( 1.228 0.316 10.495) 10.571 4.102 ( 2.656 -2.919 0.877) 4.042 4.197 ( 7.647 7.540 7.797) 13.271 4.400 ( -0.902 -4.711 2.340) 5.337 4.458 ( 0.148 -5.629 -7.482) 9.365 4.605 ( 4.658 -9.161 -4.026) 11.038 4.921 ( -0.572 8.256 -5.283) 9.818 5.169 ( -5.360 -13.263 0.775) 14.326 5.433 ( -3.138 -7.326 7.012) 10.615 5.556 ( 2.221 3.350 -4.059) 5.712 5.736 ( 3.740 0.669 -5.855) 6.980 5.774 ( 0.174 -6.575 2.775) 7.139 5.995 ( -0.127 0.331 2.735) 2.757 6.205 ( 5.573 1.257 2.887) 6.401 6.381 ( -0.686 2.299 3.478) 4.225 6.687 ( 0.655 4.184 3.838) 5.715 6.892 ( -0.039 7.943 -4.127) 8.951 7.127 ( 2.870 -11.436 3.716) 12.362 7.293 ( -3.295 -5.530 -0.108) 6.438 7.365 ( -9.233 -1.585 -4.346) 10.328 7.587 ( 1.367 3.335 0.623) 3.658 7.630 ( -1.939 0.518 -7.103) 7.381 7.992 ( -8.601 -0.337 -7.612) 11.491 8.058 ( 5.443 -4.124 -1.304) 6.952 8.378 ( -4.829 6.198 -3.486) 8.596 8.436 ( 0.027 -2.013 3.391) 3.944 8.611 ( 3.439 2.813 -1.430) 4.667 8.644 ( 2.967 -0.286 -0.752) 3.074 8.980 ( -0.967 0.703 -1.859) 2.211 9.136 ( 0.148 -3.630 10.246) 10.871 9.316 ( 3.887 8.198 1.764) 9.243 9.594 ( 4.023 -0.641 -5.992) 7.246 10.090 ( -3.991 -0.616 1.963) 4.490 10.351 ( 1.051 -7.753 8.713) 11.710 10.566 ( 0.069 7.064 2.750) 7.581 10.965 ( 0.619 -1.348 0.156) 1.491 11.111 ( -2.760 4.248 -0.722) 5.118 11.303 ( -4.669 0.220 -4.136) 6.242 11.501 ( -6.751 1.238 -10.157) 12.259 11.667 ( 4.208 -2.176 2.363) 5.293 11.946 ( 4.541 -1.412 -0.099) 4.757 12.260 ( 6.247 -9.381 -2.889) 11.635 12.362 ( 9.443 -1.853 -1.734) 9.778 12.744 ( 7.998 7.641 6.086) 12.625 12.903 ( 5.475 -9.736 0.581) 11.185 12.995 ( 0.199 -0.708 -3.631) 3.705 13.370 ( 4.832 -6.357 -1.729) 8.170 13.490 ( -0.858 -7.407 -1.483) 7.603 13.686 ( 2.065 -1.671 7.322) 7.789 13.875 ( -1.723 -8.558 5.473) 10.304 14.082 ( -3.261 6.205 2.705) 7.514 14.369 ( -4.882 1.317 -1.798) 5.367 14.454 ( -8.999 2.335 -8.992) 12.934 14.829 ( 0.935 -5.540 -1.176) 5.740 14.944 ( 0.948 -1.091 4.361) 4.594 15.125 ( 2.122 -0.870 0.688) 2.395 15.919 ( -10.567 0.806 -2.553) 10.901 16.108 ( -2.132 -2.858 -3.932) 5.308 16.200 ( 2.732 10.417 -0.767) 10.796 16.469 ( 2.499 6.036 -0.857) 6.589 16.713 ( 2.133 4.498 -1.805) 5.295 16.906 ( -3.170 -0.180 2.471) 4.023 17.018 ( -3.614 1.681 -2.125) 4.517 17.260 ( 0.422 -1.524 -1.637) 2.276 24.765 ( -4.453 1.599 1.971) 5.125 24.918 ( 0.184 -1.571 4.518) 4.787 24.974 ( -0.092 2.556 2.842) 3.824 25.236 ( -4.817 -6.019 7.911) 11.046 25.438 ( -0.429 -0.108 1.834) 1.886 25.609 ( 0.495 -3.401 1.249) 3.657 25.739 ( -0.325 2.614 2.279) 3.483 25.913 ( -1.725 -1.157 -0.320) 2.101 27.209 ( 0.733 2.745 2.077) 3.519 27.610 ( -1.379 3.367 0.731) 3.711 27.640 ( -2.589 -9.269 0.475) 9.635 28.052 ( 0.143 -10.011 -7.357) 12.425 29.716 ( 4.125 0.783 1.860) 4.593 30.038 ( 0.500 -9.961 -2.301) 10.236 31.113 ( 4.770 20.028 -4.804) 21.141 31.445 ( 3.085 7.823 -6.211) 10.455 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 6.498 25.275 10.449) 28.111 1.338 ( -6.327 22.012 14.310) 27.007 2.048 ( 4.252 2.427 3.927) 6.276 2.428 ( 4.060 -8.214 -0.398) 9.172 2.586 ( -13.432 27.302 2.468) 30.527 2.662 ( 0.727 7.633 5.527) 9.452 2.808 ( 4.558 -0.727 0.155) 4.618 3.024 ( 5.205 2.061 4.058) 6.914 3.064 ( -1.476 4.502 0.654) 4.782 3.068 ( -0.966 0.806 3.369) 3.596 3.103 ( -0.797 10.314 0.183) 10.346 3.253 ( -0.209 4.018 0.246) 4.031 3.266 ( -0.755 6.411 -2.178) 6.813 3.474 ( -1.150 3.230 3.055) 4.592 3.505 ( -3.763 9.334 2.702) 10.420 3.555 ( -1.534 9.548 -1.889) 9.853 3.934 ( 1.602 1.828 2.485) 3.476 4.096 ( -3.328 2.446 3.260) 5.261 4.353 ( 4.194 8.934 2.985) 10.311 4.416 ( 4.180 -9.545 -5.618) 11.838 4.499 ( 6.184 -2.367 0.105) 6.622 4.743 ( 8.582 -14.940 1.925) 17.336 4.877 ( -0.174 12.095 -5.529) 13.300 5.012 ( -9.659 -17.340 -0.128) 19.849 5.340 ( -8.200 -11.472 7.211) 15.838 5.627 ( 3.962 4.707 -1.716) 6.387 5.784 ( 3.344 -2.073 -1.767) 4.313 5.846 ( 6.328 -1.453 -0.100) 6.494 5.954 ( -4.755 2.601 3.501) 6.453 6.296 ( -3.121 -0.211 3.989) 5.069 6.407 ( 4.125 0.733 1.185) 4.354 6.718 ( -3.396 -0.007 -1.403) 3.675 6.826 ( 1.755 6.352 -5.259) 8.431 7.073 ( -4.452 -2.941 -3.978) 6.656 7.240 ( -0.644 -6.494 0.178) 6.528 7.382 ( 6.265 -4.221 2.880) 8.085 7.553 ( -3.755 -1.103 -8.312) 9.187 7.631 ( 0.892 3.526 -0.480) 3.669 7.811 ( -2.893 1.097 -0.153) 3.098 8.132 ( 1.179 -4.122 -0.352) 4.302 8.277 ( -0.386 6.576 -2.810) 7.162 8.408 ( -2.600 -3.053 -1.725) 4.365 8.645 ( -1.209 -0.547 6.953) 7.079 8.727 ( 4.930 1.904 -3.012) 6.083 8.950 ( -1.643 2.310 -1.588) 3.249 9.159 ( -3.482 -5.348 10.881) 12.614 9.390 ( 2.989 9.144 0.402) 9.629 9.637 ( 3.682 1.857 -7.225) 8.319 10.037 ( -2.930 -1.588 3.737) 5.008 10.416 ( 2.116 -5.090 3.776) 6.682 10.592 ( -0.087 1.706 4.900) 5.189 10.954 ( -1.803 -1.570 -0.308) 2.410 11.097 ( 2.383 3.137 -1.087) 4.087 11.201 ( -3.998 0.625 -1.234) 4.231 11.288 ( -7.737 0.727 -7.879) 11.066 11.816 ( 6.784 0.283 1.016) 6.866 12.015 ( 4.062 1.248 -5.133) 6.663 12.334 ( 1.929 -5.060 0.595) 5.448 12.549 ( 10.977 -4.734 -6.080) 13.412 12.854 ( -0.073 3.042 -3.183) 4.404 12.954 ( -0.976 -6.912 -5.164) 8.683 13.052 ( 11.365 6.108 -1.384) 12.977 13.458 ( 2.779 -11.068 -1.787) 11.550 13.531 ( 5.159 -9.858 7.526) 13.433 13.757 ( 0.378 -3.625 6.416) 7.379 13.827 ( -6.024 -8.566 2.027) 10.666 14.026 ( -4.756 3.488 -0.658) 5.935 14.208 ( -5.775 8.517 -2.511) 10.592 14.310 ( -3.658 -2.318 1.440) 4.564 14.858 ( 1.819 -8.933 -0.129) 9.117 14.990 ( -0.142 5.095 3.608) 6.245 15.168 ( 3.257 2.594 2.333) 4.773 15.709 ( -9.824 2.283 -0.904) 10.127 16.058 ( -0.362 -6.768 -1.149) 6.875 16.242 ( 2.154 11.330 1.072) 11.583 16.558 ( 5.983 7.978 -1.329) 10.060 16.731 ( 0.927 3.617 -2.900) 4.728 16.823 ( -5.865 -0.967 0.485) 5.964 16.968 ( -0.296 2.466 -2.222) 3.332 17.199 ( -5.473 -6.034 -1.762) 8.335 24.698 ( -2.922 2.473 0.708) 3.893 24.900 ( -4.702 -2.418 4.087) 6.683 25.008 ( 0.251 -0.602 4.976) 5.018 25.126 ( -6.980 -3.388 2.267) 8.083 25.470 ( 0.577 -1.220 6.528) 6.665 25.639 ( 1.187 -4.547 1.427) 4.912 25.744 ( -0.603 2.629 3.434) 4.367 25.889 ( -0.573 -0.958 0.735) 1.337 27.230 ( 0.193 2.585 2.377) 3.517 27.572 ( -1.418 5.984 -1.522) 6.335 27.606 ( -1.945 -5.884 1.735) 6.435 28.041 ( 1.997 -7.120 -4.281) 8.544 29.801 ( 3.401 -1.530 0.706) 3.796 30.037 ( 0.791 -8.717 -2.236) 9.034 31.201 ( 6.889 15.822 -5.068) 17.986 31.457 ( 2.420 7.801 -10.154) 13.032 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -4.269 21.121 10.004) 23.757 1.885 ( 1.417 20.352 3.807) 20.754 2.116 ( -2.164 -7.032 9.829) 12.278 2.252 ( 2.787 -14.968 1.570) 15.306 2.633 ( -2.612 -0.097 -6.529) 7.033 2.681 ( 0.912 -4.415 -2.731) 5.271 2.932 ( 0.386 3.307 -7.142) 7.880 2.970 ( -4.079 -0.784 -5.693) 7.048 3.124 ( -2.353 10.530 2.494) 11.074 3.166 ( -1.695 3.458 3.225) 5.023 3.258 ( -2.536 -0.659 2.227) 3.439 3.343 ( 2.437 -5.115 -1.736) 5.926 3.362 ( -3.004 6.716 4.578) 8.665 3.449 ( -5.055 -1.902 0.767) 5.455 3.743 ( 1.428 18.235 0.378) 18.295 3.957 ( 2.845 23.033 2.641) 23.358 4.006 ( -2.557 5.447 5.934) 8.451 4.081 ( -3.168 -0.407 -3.163) 4.495 4.173 ( -4.765 -11.157 2.592) 12.405 4.401 ( -0.693 -10.603 1.234) 10.697 4.523 ( 1.819 -6.915 7.744) 10.541 4.576 ( 5.151 -14.900 2.945) 16.038 4.739 ( 5.839 3.809 3.172) 7.659 4.893 ( 4.350 -9.806 3.010) 11.141 5.328 ( -2.980 15.717 0.816) 16.018 5.622 ( -1.040 -11.462 2.368) 11.750 5.849 ( 2.480 6.431 -1.220) 6.999 5.914 ( 0.200 0.982 -0.817) 1.293 6.052 ( 0.231 5.952 -3.890) 7.115 6.163 ( -5.616 -3.108 -0.999) 6.496 6.411 ( -3.629 0.453 1.631) 4.004 6.511 ( -1.380 -8.579 -3.471) 9.357 6.902 ( -1.378 6.128 -3.258) 7.076 7.048 ( -2.633 -7.173 -1.095) 7.719 7.143 ( 1.682 6.342 -4.092) 7.733 7.280 ( 2.311 -6.461 -4.288) 8.091 7.587 ( 2.655 4.513 0.923) 5.317 7.652 ( 7.328 -1.857 7.309) 10.515 8.055 ( 4.547 3.964 1.951) 6.340 8.115 ( 1.888 -3.243 3.909) 5.419 8.299 ( -0.309 1.436 -0.646) 1.605 8.372 ( 2.248 -1.919 0.165) 2.961 8.649 ( -2.053 7.310 2.200) 7.905 8.797 ( 4.641 -3.453 -3.878) 6.964 8.953 ( -2.726 1.941 -0.663) 3.411 9.022 ( -4.185 -5.629 6.735) 9.724 9.571 ( 0.440 5.236 -6.101) 8.052 9.639 ( -0.648 -1.091 -8.986) 9.075 10.066 ( -1.269 5.894 7.229) 9.413 10.251 ( -0.755 -11.164 6.347) 12.864 10.702 ( -1.908 7.908 0.561) 8.155 10.852 ( -1.408 -5.599 -1.557) 5.980 11.087 ( 1.004 -0.563 -3.584) 3.764 11.094 ( 0.986 -1.227 -4.318) 4.596 11.532 ( 5.444 14.893 1.716) 15.950 11.820 ( 2.890 -10.161 3.317) 11.073 12.090 ( -1.262 5.470 -7.925) 9.712 12.214 ( -0.884 -5.658 -4.636) 7.368 12.567 ( -3.234 0.230 -6.081) 6.892 12.655 ( -3.393 -7.975 -5.477) 10.252 12.951 ( -5.396 5.778 -6.466) 10.214 13.073 ( -7.076 -6.474 -7.279) 12.040 13.297 ( 3.473 -0.930 1.488) 3.890 13.400 ( 1.571 -8.990 4.992) 10.402 13.685 ( -1.291 4.782 3.115) 5.852 13.784 ( -1.415 -3.037 2.909) 4.437 14.098 ( 3.619 6.158 2.873) 7.699 14.217 ( 2.632 -5.021 4.322) 7.128 14.474 ( 5.427 10.103 3.777) 12.075 14.682 ( 2.285 -9.586 0.498) 9.867 15.046 ( -6.426 7.919 -1.827) 10.361 15.204 ( -2.922 -6.914 2.623) 7.951 15.803 ( 6.720 7.392 5.826) 11.565 15.953 ( 5.990 -7.261 5.489) 10.896 16.546 ( 2.707 11.767 -1.621) 12.182 16.637 ( -5.426 2.007 -1.645) 6.015 16.691 ( -4.228 -1.144 -1.861) 4.759 16.854 ( -2.876 -7.438 -2.608) 8.390 16.914 ( 1.323 2.090 -1.667) 2.983 16.989 ( 4.042 -2.245 -2.033) 5.051 24.720 ( -0.599 1.779 0.823) 2.050 24.757 ( -2.721 -1.783 1.974) 3.805 25.065 ( 0.694 1.560 4.799) 5.093 25.085 ( 0.176 -0.256 3.743) 3.756 25.497 ( -0.695 1.465 3.569) 3.920 25.557 ( -0.645 -3.926 1.857) 4.391 25.809 ( 0.087 2.943 1.050) 3.126 25.865 ( 0.625 -2.294 1.161) 2.646 27.307 ( -1.389 4.681 0.916) 4.967 27.432 ( -1.922 -6.941 -0.256) 7.207 27.720 ( 0.239 8.249 -1.138) 8.331 27.900 ( 1.009 -8.758 -1.537) 8.949 29.823 ( -0.507 1.987 0.429) 2.095 29.901 ( 0.221 -5.389 0.183) 5.396 31.470 ( 1.904 6.479 -5.051) 8.433 31.532 ( 1.871 0.831 -8.023) 8.280 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -15.123 21.294 3.224) 26.316 1.937 ( -9.953 0.452 8.605) 13.165 2.046 ( 0.297 3.905 4.756) 6.160 2.305 ( 2.469 -9.584 7.235) 12.259 2.571 ( -3.172 2.605 -6.468) 7.661 2.694 ( -1.195 -7.744 -1.723) 8.023 2.840 ( -7.109 1.708 -1.521) 7.468 2.849 ( -6.014 1.481 -4.781) 7.824 3.077 ( -5.871 2.237 0.626) 6.314 3.143 ( 2.346 -2.576 0.902) 3.599 3.221 ( -3.646 2.543 -2.654) 5.178 3.254 ( -0.545 3.059 -1.114) 3.301 3.412 ( 3.776 3.779 -0.927) 5.422 3.507 ( 8.814 -3.113 -4.342) 10.307 3.770 ( -0.616 14.411 1.325) 14.485 3.911 ( -5.663 12.176 4.323) 14.107 4.053 ( -0.441 2.073 5.000) 5.431 4.064 ( -0.513 5.792 2.172) 6.207 4.079 ( -0.832 -5.585 1.911) 5.962 4.371 ( -3.044 -2.504 2.714) 4.786 4.617 ( 4.565 -0.889 5.158) 6.945 4.736 ( 5.927 -9.834 3.864) 12.114 4.827 ( -0.223 -2.459 7.346) 7.750 4.940 ( -1.260 -11.487 4.346) 12.346 5.315 ( 1.199 15.060 -0.960) 15.138 5.596 ( -2.428 -11.367 1.855) 11.771 5.841 ( -2.037 4.940 -4.491) 6.980 5.885 ( -2.087 1.417 -0.491) 2.570 6.083 ( 3.120 1.939 -1.107) 3.836 6.117 ( 1.456 -0.460 -1.022) 1.838 6.334 ( -3.657 2.420 2.966) 5.294 6.471 ( -1.323 -8.852 -1.184) 9.028 6.856 ( 0.530 6.394 -5.020) 8.147 6.986 ( 1.224 -5.389 -6.957) 8.885 7.197 ( 2.616 7.668 -0.382) 8.111 7.339 ( 3.477 -5.927 -0.691) 6.906 7.622 ( 2.165 8.709 1.198) 9.054 7.797 ( 3.046 -6.004 1.941) 7.007 8.109 ( 0.600 2.807 3.234) 4.324 8.166 ( -0.460 -0.946 6.998) 7.076 8.327 ( 2.581 0.339 -1.807) 3.168 8.393 ( -0.384 -3.648 1.363) 3.913 8.686 ( 5.039 10.760 1.174) 11.939 8.850 ( 0.441 -1.490 -4.607) 4.862 8.893 ( -2.907 1.462 1.800) 3.718 9.002 ( -0.757 -10.283 7.402) 12.692 9.505 ( -3.260 3.448 -8.649) 9.865 9.541 ( -3.347 -0.064 -9.020) 9.621 10.093 ( -0.470 5.615 7.797) 9.620 10.261 ( -2.606 -10.076 7.587) 12.879 10.686 ( 0.622 8.060 -0.341) 8.091 10.828 ( 0.364 -4.936 -2.122) 5.385 11.149 ( 7.652 0.276 -2.604) 8.088 11.159 ( 8.188 -0.387 -3.785) 9.029 11.605 ( 0.029 9.847 -2.773) 10.230 11.748 ( -9.256 -2.080 -2.853) 9.906 12.023 ( -2.915 2.952 -0.776) 4.221 12.196 ( 1.480 -8.799 1.371) 9.028 12.407 ( -8.836 0.106 -7.058) 11.309 12.545 ( -5.605 -11.953 -6.579) 14.751 12.788 ( -6.979 4.744 -5.610) 10.133 12.891 ( -6.794 -5.427 -4.986) 10.023 13.361 ( 3.104 1.341 -1.052) 3.541 13.439 ( 1.210 -4.814 2.141) 5.406 13.667 ( -2.113 3.148 3.848) 5.402 13.748 ( -3.705 -3.607 3.027) 5.992 14.219 ( 5.001 7.125 3.423) 9.354 14.335 ( 6.080 -3.827 4.759) 8.618 14.626 ( 6.566 4.222 3.273) 8.465 14.728 ( 2.553 -5.248 -0.371) 5.848 14.906 ( -5.767 9.721 -1.656) 11.423 15.117 ( -6.232 -9.739 1.276) 11.632 16.022 ( 10.106 6.463 7.999) 14.418 16.139 ( 8.377 -5.082 7.215) 12.168 16.459 ( -7.434 6.465 -1.787) 10.013 16.526 ( -7.060 -0.173 -3.569) 7.913 16.645 ( 2.482 3.395 -3.162) 5.262 16.804 ( -0.185 -8.357 -2.573) 8.746 17.002 ( 6.733 5.287 -1.190) 8.643 17.088 ( 6.963 -2.948 -3.437) 8.306 24.735 ( 1.503 1.069 0.946) 2.073 24.755 ( 1.296 -0.794 1.203) 1.939 25.111 ( 0.759 1.499 6.399) 6.616 25.116 ( 0.875 1.075 3.722) 3.972 25.494 ( -1.526 0.765 3.062) 3.505 25.545 ( -1.547 -3.792 1.656) 4.417 25.818 ( 0.176 3.557 0.825) 3.655 25.887 ( 0.756 -3.006 1.552) 3.466 27.281 ( -1.689 3.733 0.471) 4.124 27.399 ( -0.947 -7.505 -0.694) 7.596 27.714 ( -0.268 7.645 -0.640) 7.676 27.898 ( -0.186 -9.849 -1.834) 10.020 29.795 ( -2.391 3.476 0.332) 4.232 29.895 ( -0.932 -6.121 0.271) 6.197 31.460 ( 0.127 7.318 -5.226) 8.993 31.523 ( 1.547 1.318 -7.065) 7.351 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.610 13.824 4.977) 15.399 1.690 ( -13.986 -9.684 3.996) 17.474 2.142 ( 1.051 11.378 3.010) 11.816 2.353 ( -5.083 -6.578 2.376) 8.646 2.439 ( -3.644 6.115 1.909) 7.370 2.601 ( -6.556 -7.861 0.264) 10.240 2.720 ( -3.397 -1.472 1.558) 4.017 2.726 ( -3.664 -1.909 0.214) 4.137 3.033 ( -0.635 4.481 0.771) 4.591 3.103 ( -2.980 -0.612 -1.113) 3.240 3.253 ( 6.090 -2.353 -0.445) 6.544 3.292 ( 3.841 -3.389 -2.577) 5.734 3.521 ( 8.605 7.591 -5.783) 12.849 3.620 ( 6.502 -0.445 -8.137) 10.425 3.688 ( -6.039 11.824 1.234) 13.334 3.893 ( -1.490 6.522 0.915) 6.752 4.001 ( -1.549 -5.054 9.455) 10.833 4.106 ( 0.296 0.367 9.662) 9.673 4.189 ( 6.510 10.551 3.319) 12.834 4.305 ( -6.417 2.517 4.039) 7.989 4.607 ( -9.693 5.899 1.451) 11.439 4.784 ( -0.914 -3.340 -0.890) 3.575 4.863 ( 1.419 -6.668 7.830) 10.383 4.948 ( -0.164 -13.916 3.170) 14.274 5.353 ( 2.949 10.785 0.541) 11.194 5.575 ( -0.631 -9.444 1.643) 9.607 5.739 ( -4.362 3.586 -6.063) 8.286 5.819 ( -3.599 -2.700 -4.683) 6.493 6.097 ( -3.208 7.457 1.684) 8.291 6.162 ( 3.044 1.979 1.258) 3.843 6.342 ( 1.987 2.693 2.493) 4.173 6.516 ( 5.385 -12.681 4.561) 14.513 6.898 ( 6.224 7.628 -3.248) 10.367 7.033 ( 5.519 -3.242 -5.518) 8.451 7.178 ( -1.621 7.808 -3.596) 8.748 7.353 ( -1.461 -6.614 -2.203) 7.123 7.709 ( 3.545 2.143 3.745) 5.585 7.791 ( -2.001 -4.531 -3.215) 5.905 8.091 ( -2.908 6.492 -1.427) 7.255 8.198 ( -0.346 -0.737 5.721) 5.779 8.331 ( 0.990 2.866 -2.650) 4.026 8.440 ( 3.460 -4.054 5.577) 7.714 8.699 ( -3.921 5.341 -4.492) 8.005 8.758 ( -4.733 0.883 -5.861) 7.585 8.932 ( 2.668 0.092 8.113) 8.541 9.028 ( -1.672 -7.827 3.119) 8.590 9.397 ( -1.602 4.575 -8.331) 9.638 9.468 ( 0.186 -2.114 -5.601) 5.989 10.122 ( -0.912 3.688 7.799) 8.675 10.234 ( -4.641 -6.910 8.897) 12.184 10.712 ( 1.708 8.108 -0.290) 8.291 10.848 ( 2.435 -4.464 -1.515) 5.306 11.298 ( 8.715 6.069 -1.897) 10.788 11.366 ( 14.112 -0.068 -2.268) 14.293 11.475 ( -6.602 3.788 -3.700) 8.463 11.616 ( -3.218 -6.710 -6.103) 9.624 11.970 ( -3.716 4.543 0.826) 5.927 12.138 ( -11.374 -7.384 -6.500) 15.038 12.280 ( 0.394 -0.943 0.064) 1.024 12.397 ( -3.579 -11.865 -3.352) 12.838 12.690 ( -2.153 4.683 1.783) 5.454 12.820 ( -0.318 -6.708 2.253) 7.083 13.383 ( 0.415 3.556 -3.887) 5.285 13.467 ( 0.999 -2.602 -1.264) 3.060 13.662 ( -0.904 0.191 2.855) 3.001 13.700 ( -2.761 -3.933 5.334) 7.179 14.295 ( 1.237 8.538 3.742) 9.404 14.451 ( 3.365 -4.383 2.975) 6.275 14.668 ( -0.080 4.058 -5.380) 6.739 14.746 ( 0.070 -2.123 -5.506) 5.901 14.886 ( 1.770 4.038 4.858) 6.560 15.024 ( -4.245 -8.145 2.781) 9.596 16.201 ( 5.156 5.592 3.517) 8.380 16.226 ( -2.490 0.734 1.032) 2.794 16.339 ( -6.215 3.333 -2.872) 7.614 16.438 ( 1.987 -3.767 0.035) 4.259 16.691 ( 3.207 4.247 -0.789) 5.380 16.814 ( 1.943 -6.096 0.365) 6.408 17.113 ( 5.057 3.986 -1.748) 6.672 17.179 ( 5.086 -1.503 -5.123) 7.373 24.781 ( 2.412 0.532 1.837) 3.078 24.794 ( 1.587 -0.654 1.529) 2.299 25.133 ( -1.047 3.340 3.538) 4.977 25.164 ( 0.811 0.504 5.744) 5.822 25.476 ( -1.768 0.346 2.179) 2.827 25.523 ( -1.558 -4.121 1.545) 4.669 25.821 ( -0.168 4.183 0.352) 4.202 25.901 ( -0.044 -3.372 0.860) 3.480 27.259 ( -0.855 4.313 1.129) 4.539 27.398 ( 0.681 -9.158 1.018) 9.239 27.706 ( -0.248 6.363 -0.288) 6.374 27.877 ( -0.586 -10.214 -2.663) 10.572 29.753 ( -2.010 4.912 0.536) 5.334 29.875 ( -1.111 -6.904 0.108) 6.994 31.432 ( 0.188 9.106 -5.534) 10.658 31.515 ( 1.347 0.841 -5.856) 6.068 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.685 5.837 6.796) 8.984 1.526 ( -3.292 -0.554 5.316) 6.277 2.096 ( -5.140 7.224 -1.209) 8.948 2.224 ( -3.850 -3.416 -0.912) 5.227 2.444 ( -0.742 2.258 3.522) 4.248 2.524 ( 0.549 -6.616 1.254) 6.756 2.741 ( 4.382 0.336 4.987) 6.647 2.803 ( 6.295 -4.430 8.217) 11.259 3.009 ( -0.721 6.007 -0.766) 6.099 3.101 ( 1.408 -1.760 2.041) 3.041 3.310 ( -0.927 0.895 -2.053) 2.424 3.357 ( 2.759 -3.020 -1.530) 4.367 3.645 ( 7.488 6.277 -3.285) 10.308 3.656 ( 2.496 7.789 2.003) 8.421 3.677 ( 5.097 7.267 -5.663) 10.529 3.870 ( 0.953 -4.522 0.243) 4.628 4.026 ( -6.324 4.851 9.317) 12.261 4.153 ( -4.626 8.624 3.903) 10.536 4.179 ( -5.872 -6.492 10.890) 13.972 4.302 ( 0.405 -8.338 -4.121) 9.310 4.412 ( -4.323 23.175 4.528) 24.005 4.715 ( -4.862 3.145 -2.758) 6.414 4.918 ( -1.209 -8.536 3.064) 9.149 4.935 ( -1.981 -17.025 2.187) 17.279 5.401 ( 0.735 8.046 2.421) 8.434 5.593 ( 1.467 -6.935 1.996) 7.364 5.661 ( 0.311 3.409 -6.218) 7.098 5.745 ( -0.327 -2.454 -5.757) 6.267 6.054 ( -1.485 7.518 0.548) 7.683 6.170 ( -0.730 -2.216 -1.052) 2.559 6.425 ( 2.711 6.566 6.570) 9.676 6.635 ( 2.534 -12.494 7.564) 14.824 6.968 ( -1.647 10.167 -4.848) 11.384 7.066 ( 5.906 7.337 1.114) 9.484 7.200 ( 0.294 -6.414 -5.440) 8.416 7.302 ( 0.631 -9.902 -1.873) 10.097 7.674 ( -3.953 3.373 -3.383) 6.201 7.772 ( 0.198 -3.743 -3.235) 4.951 8.000 ( -5.245 6.171 -4.403) 9.218 8.145 ( -6.142 -5.034 -3.284) 8.594 8.404 ( 4.566 6.413 4.383) 9.011 8.539 ( 2.489 -5.538 3.025) 6.784 8.587 ( -3.042 6.462 -4.167) 8.269 8.667 ( -1.770 0.747 -1.816) 2.644 8.980 ( -2.069 -2.104 1.668) 3.389 9.004 ( 1.421 -3.380 2.677) 4.540 9.388 ( 3.510 5.906 -2.929) 7.468 9.488 ( 4.017 -3.583 -3.656) 6.507 10.138 ( -1.691 1.532 5.880) 6.307 10.198 ( -4.037 -4.445 9.557) 11.287 10.733 ( 0.510 8.332 0.270) 8.352 10.880 ( 1.242 -5.276 -0.687) 5.463 11.328 ( -3.214 9.334 -4.073) 10.679 11.456 ( 4.966 8.954 -0.597) 10.256 11.504 ( -4.288 -6.938 -0.893) 8.205 11.638 ( 7.460 -6.525 -4.210) 10.768 11.845 ( -3.596 1.009 -6.861) 7.812 11.944 ( -1.199 -8.338 -7.779) 11.466 12.300 ( 3.816 2.924 2.761) 5.544 12.467 ( 6.244 -13.079 6.265) 15.789 12.725 ( 3.854 6.257 6.035) 9.509 12.870 ( 2.736 -6.910 6.184) 9.668 13.336 ( -2.310 3.108 -6.128) 7.248 13.438 ( -2.401 -4.661 -5.262) 7.429 13.657 ( -0.571 1.840 4.523) 4.916 13.722 ( 0.713 -4.471 5.449) 7.084 14.305 ( -1.924 9.713 2.972) 10.338 14.469 ( -2.500 -3.007 -0.142) 3.914 14.633 ( -0.716 1.159 -6.949) 7.082 14.690 ( -1.593 -3.941 -7.320) 8.464 14.935 ( 1.177 2.745 3.708) 4.761 15.015 ( 0.996 -4.528 5.038) 6.846 16.131 ( -6.107 1.527 -4.467) 7.719 16.168 ( -6.085 -1.595 -3.872) 7.387 16.329 ( 4.024 9.483 1.163) 10.367 16.471 ( 0.610 -3.814 0.352) 3.878 16.756 ( 3.101 4.566 2.207) 5.944 16.866 ( 2.003 -4.875 2.947) 6.038 17.137 ( -1.055 4.253 -3.643) 5.699 17.222 ( 1.966 -2.327 -4.460) 5.402 24.818 ( -0.327 0.414 2.701) 2.752 24.833 ( 1.475 -0.970 3.238) 3.687 25.107 ( -3.131 5.005 1.825) 6.179 25.187 ( -1.767 -2.245 4.433) 5.274 25.457 ( -1.135 1.005 1.505) 2.136 25.512 ( -0.399 -4.162 1.774) 4.542 25.816 ( -0.426 4.129 0.072) 4.152 25.894 ( -0.899 -3.190 -0.042) 3.315 27.268 ( 0.762 5.568 2.560) 6.176 27.427 ( 1.024 -9.560 3.060) 10.090 27.703 ( 0.088 5.379 -0.321) 5.390 27.855 ( 0.153 -9.479 -3.584) 10.135 29.737 ( 0.057 4.964 0.809) 5.030 29.861 ( -0.193 -7.062 -0.140) 7.066 31.415 ( 1.296 9.984 -5.707) 11.573 31.514 ( 1.849 0.147 -5.544) 5.846 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 5.137 14.198 9.703) 17.948 1.654 ( 7.914 3.079 5.920) 10.351 1.982 ( -4.524 4.941 2.138) 7.032 2.180 ( -2.524 -10.673 0.120) 10.968 2.535 ( 8.726 2.192 1.894) 9.194 2.617 ( 6.438 -5.652 1.041) 8.630 2.884 ( 6.914 3.577 6.043) 9.854 2.972 ( 6.403 -3.109 6.479) 9.625 3.033 ( 3.207 7.601 2.249) 8.551 3.151 ( 1.825 -2.954 1.898) 3.957 3.235 ( -4.526 3.504 -3.391) 6.653 3.323 ( -2.983 -3.259 -2.809) 5.235 3.698 ( 2.126 13.347 -2.730) 13.788 3.735 ( -3.034 11.456 -2.224) 12.058 3.779 ( -4.397 3.742 2.372) 6.242 3.868 ( 2.324 6.286 7.920) 10.375 3.923 ( -12.454 5.514 2.100) 13.781 3.979 ( 6.836 -3.739 3.921) 8.723 4.218 ( -2.175 -5.574 7.951) 9.951 4.272 ( 2.335 -10.139 -0.290) 10.408 4.474 ( 2.726 11.759 -1.380) 12.149 4.586 ( -5.880 11.481 -1.587) 12.996 4.853 ( -6.595 -16.501 1.260) 17.815 4.875 ( -4.466 -15.721 -2.199) 16.490 5.412 ( -0.995 9.626 3.518) 10.297 5.618 ( -0.165 -8.537 2.768) 8.976 5.708 ( 5.684 6.419 -4.077) 9.494 5.761 ( 5.556 0.598 -4.694) 7.298 6.059 ( 1.500 5.569 -0.707) 5.811 6.178 ( 3.058 -3.952 0.291) 5.006 6.470 ( -2.560 6.531 8.264) 10.839 6.664 ( -3.498 -9.850 6.146) 12.126 6.931 ( 1.436 4.312 -0.954) 4.643 7.073 ( -7.461 -3.987 -5.496) 10.088 7.169 ( 3.114 1.932 -0.180) 3.669 7.294 ( -1.811 -5.879 -4.583) 7.671 7.644 ( 0.285 5.501 -1.187) 5.634 7.735 ( -1.248 2.103 -6.115) 6.586 7.902 ( -2.515 -1.890 -5.374) 6.227 7.987 ( -3.488 -5.012 -4.248) 7.439 8.420 ( -4.151 2.747 0.060) 4.978 8.482 ( -3.134 -0.896 -4.841) 5.836 8.647 ( 2.204 2.977 6.276) 7.287 8.681 ( 4.089 0.907 -2.117) 4.693 8.978 ( 0.581 1.102 1.569) 2.003 9.049 ( 0.279 -4.611 5.598) 7.258 9.469 ( 5.760 6.112 -1.843) 8.598 9.562 ( 5.989 -2.722 -4.203) 7.807 10.109 ( -3.933 2.774 4.989) 6.932 10.205 ( -0.767 -6.037 7.724) 9.833 10.734 ( -0.687 8.277 1.178) 8.389 10.886 ( -0.188 -5.817 0.135) 5.821 11.234 ( -5.383 5.970 -2.407) 8.391 11.326 ( -8.010 -0.965 -3.580) 8.826 11.518 ( -5.191 2.924 -10.152) 11.771 11.611 ( 6.587 -3.341 -1.042) 7.459 11.939 ( 8.016 1.167 0.504) 8.116 12.039 ( 11.690 -8.812 -3.412) 15.032 12.420 ( 6.150 6.209 3.981) 9.603 12.619 ( 6.222 -12.543 4.724) 14.777 12.893 ( 9.576 5.354 6.796) 12.905 12.981 ( 5.459 -2.994 5.344) 8.205 13.254 ( -2.107 -0.428 -6.274) 6.632 13.349 ( -3.265 -6.877 -4.790) 8.995 13.684 ( -0.038 2.054 5.508) 5.879 13.757 ( 0.074 -4.088 3.855) 5.620 14.258 ( -4.592 8.512 0.683) 9.696 14.369 ( -6.628 -1.849 -2.264) 7.244 14.522 ( -5.459 3.930 -8.543) 10.873 14.651 ( 0.170 -8.588 -4.251) 9.584 15.005 ( 3.721 4.364 5.886) 8.218 15.087 ( 3.511 -3.028 4.255) 6.293 15.959 ( -9.002 2.747 -4.640) 10.493 16.029 ( -6.420 -3.842 -5.035) 9.018 16.410 ( 3.839 8.031 0.810) 8.938 16.505 ( 3.774 -1.454 0.479) 4.072 16.807 ( 0.662 3.943 2.807) 4.885 16.900 ( 0.054 -3.365 2.032) 3.931 17.053 ( -5.231 5.382 -3.542) 8.299 17.187 ( -3.477 -5.547 -4.188) 7.772 24.804 ( -2.961 2.182 3.120) 4.823 24.859 ( -1.344 -3.043 4.590) 5.668 25.055 ( -2.648 4.287 1.177) 5.174 25.141 ( -4.349 -3.902 1.592) 6.055 25.460 ( 0.243 2.198 2.536) 3.365 25.526 ( 0.584 -3.884 2.018) 4.415 25.809 ( -0.412 3.456 0.330) 3.496 25.873 ( -1.053 -2.576 -0.350) 2.805 27.302 ( 0.786 6.156 3.033) 6.908 27.457 ( 0.033 -8.304 3.531) 9.024 27.706 ( 0.601 5.732 -0.769) 5.814 27.853 ( 1.753 -8.412 -3.339) 9.219 29.762 ( 1.948 3.641 0.944) 4.236 29.867 ( 0.894 -6.458 -0.253) 6.525 31.421 ( 2.688 9.585 -5.834) 11.538 31.524 ( 2.433 -0.420 -6.076) 6.558 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 10.856 19.224 4.894) 22.613 1.771 ( 0.675 17.649 11.370) 21.006 2.035 ( 5.624 -4.610 7.220) 10.247 2.165 ( 2.058 -15.580 0.645) 15.729 2.668 ( 3.421 -0.359 -0.736) 3.518 2.708 ( 1.494 -4.867 -1.595) 5.335 2.968 ( -0.976 7.844 -2.259) 8.221 3.058 ( -1.971 -2.059 -2.421) 3.739 3.098 ( 0.656 3.492 2.800) 4.524 3.167 ( 3.832 4.855 -0.519) 6.207 3.194 ( 3.495 -0.886 2.356) 4.307 3.320 ( 1.755 -3.233 -1.473) 3.962 3.469 ( -13.758 13.959 7.915) 21.137 3.623 ( -13.316 -1.358 1.887) 13.517 3.724 ( 1.096 17.851 -0.977) 17.912 3.873 ( 3.962 17.163 0.084) 17.614 4.018 ( 2.208 7.495 5.405) 9.501 4.135 ( 3.236 -13.756 -1.645) 14.227 4.184 ( -3.429 4.191 9.403) 10.851 4.334 ( 4.537 -15.236 0.620) 15.909 4.456 ( -0.460 -3.634 3.980) 5.409 4.582 ( 1.853 4.781 -1.006) 5.225 4.689 ( -6.334 -10.748 -1.240) 12.537 4.827 ( 0.450 -12.649 -1.062) 12.702 5.389 ( -3.433 12.741 2.347) 13.402 5.625 ( -0.616 -8.636 1.780) 8.839 5.776 ( 4.421 6.620 -0.701) 7.991 5.869 ( 5.639 -1.101 -2.573) 6.295 6.079 ( 0.836 9.184 -2.193) 9.479 6.247 ( -0.168 -5.035 1.325) 5.210 6.433 ( -3.047 3.199 4.960) 6.643 6.589 ( -5.264 -10.419 -1.079) 11.723 6.939 ( -2.555 3.878 -3.354) 5.729 7.005 ( 4.034 -2.613 3.599) 6.004 7.181 ( -1.017 1.271 -4.223) 4.526 7.269 ( 3.055 -5.907 -3.158) 7.362 7.569 ( -3.047 2.605 -3.541) 5.349 7.632 ( -6.849 -2.629 -2.881) 7.881 7.917 ( 7.655 7.446 1.483) 10.781 8.052 ( 5.339 -4.699 -0.364) 7.121 8.338 ( -2.871 1.360 -1.199) 3.395 8.385 ( -3.845 -1.496 -3.412) 5.354 8.677 ( -1.840 4.123 5.085) 6.800 8.747 ( 3.748 -0.994 -3.851) 5.465 8.988 ( -0.791 1.941 0.835) 2.257 9.056 ( -2.945 -4.537 6.622) 8.550 9.552 ( 4.279 6.183 -3.897) 8.469 9.641 ( 4.579 -1.990 -6.160) 7.929 10.070 ( -3.025 5.025 5.962) 8.363 10.231 ( -0.579 -9.527 6.214) 11.389 10.725 ( -1.130 8.139 1.699) 8.391 10.878 ( -0.723 -5.737 -0.254) 5.788 11.130 ( -3.547 1.174 -3.210) 4.926 11.170 ( -6.073 -2.543 -3.637) 7.521 11.455 ( 2.287 12.689 -3.934) 13.480 11.715 ( 5.822 -10.083 -0.297) 11.647 12.079 ( 6.243 4.663 -4.024) 8.770 12.198 ( 5.801 -6.670 -2.850) 9.288 12.550 ( 5.594 4.757 0.234) 7.347 12.710 ( 1.214 -9.724 -0.883) 9.839 13.027 ( -0.083 7.094 -2.198) 7.427 13.114 ( 6.893 -0.468 0.636) 6.938 13.237 ( 1.560 -5.684 -1.469) 6.075 13.318 ( 2.225 -9.527 4.055) 10.590 13.693 ( -1.712 2.059 3.785) 4.637 13.772 ( 0.155 -3.336 2.782) 4.346 14.134 ( -6.686 5.877 -1.640) 9.051 14.242 ( -5.777 -4.112 -0.008) 7.091 14.422 ( -0.660 10.817 -2.180) 11.054 14.648 ( 1.299 -10.637 -1.281) 10.792 15.097 ( 1.322 4.737 3.726) 6.170 15.173 ( 3.124 -2.092 4.008) 5.495 15.789 ( -5.937 5.030 -1.222) 7.877 15.912 ( -2.980 -6.625 -0.923) 7.323 16.482 ( 4.029 9.749 -0.392) 10.556 16.605 ( 5.913 -2.144 -0.604) 6.319 16.802 ( -4.005 3.299 3.381) 6.193 16.883 ( -1.800 2.835 -2.937) 4.461 16.950 ( -2.524 -0.962 -0.472) 2.742 17.057 ( -7.279 -6.655 -4.445) 10.818 24.752 ( -3.403 2.828 1.898) 4.814 24.821 ( -4.803 -3.788 3.600) 7.097 25.039 ( -0.285 2.351 2.846) 3.703 25.083 ( -2.040 -1.781 1.833) 3.270 25.482 ( 0.191 2.092 3.475) 4.061 25.548 ( 0.434 -3.963 2.055) 4.485 25.806 ( -0.254 2.900 0.848) 3.032 25.858 ( -0.338 -2.055 0.138) 2.087 27.318 ( -0.538 5.778 2.072) 6.162 27.460 ( -1.313 -7.329 1.855) 7.674 27.715 ( 0.849 7.384 -1.238) 7.535 27.878 ( 2.170 -8.056 -2.069) 8.596 29.806 ( 1.802 2.101 0.786) 2.877 29.887 ( 1.103 -5.572 -0.106) 5.681 31.448 ( 3.269 7.950 -5.639) 10.280 31.534 ( 2.360 -0.272 -7.183) 7.566 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -5.255 0.000 27.082) 27.587 1.168 ( -0.540 0.000 31.290) 31.295 2.047 ( -5.526 0.000 38.309) 38.705 2.365 ( -0.273 0.000 14.355) 14.357 2.440 ( 2.278 0.000 -7.035) 7.394 2.572 ( 3.731 0.000 18.028) 18.410 2.696 ( 1.217 0.000 0.171) 1.229 2.847 ( -6.262 0.000 2.786) 6.853 2.979 ( -11.624 0.000 11.301) 16.212 3.059 ( 4.666 0.000 -3.393) 5.769 3.189 ( 4.600 0.000 -0.572) 4.635 3.269 ( 2.468 0.000 1.607) 2.945 3.314 ( 2.434 0.000 7.533) 7.917 3.407 ( 0.899 0.000 1.285) 1.569 3.436 ( 1.065 0.000 0.653) 1.249 3.631 ( 0.153 0.000 1.815) 1.822 3.921 ( 1.523 0.000 -10.244) 10.357 3.959 ( -1.160 0.000 0.119) 1.166 4.095 ( 1.615 0.000 11.655) 11.766 4.305 ( -6.133 0.000 9.881) 11.630 4.416 ( 1.331 0.000 -2.039) 2.435 4.708 ( 1.428 0.000 -11.902) 11.987 5.075 ( 6.184 0.000 -6.454) 8.938 5.447 ( -4.947 0.000 -8.746) 10.048 5.550 ( -2.573 0.000 1.178) 2.830 5.784 ( 7.355 0.000 0.513) 7.373 5.813 ( -6.750 0.000 4.066) 7.880 5.936 ( 2.281 0.000 -6.751) 7.126 6.006 ( -2.676 0.000 12.574) 12.855 6.325 ( 0.332 0.000 -11.864) 11.868 6.344 ( -6.647 0.000 -6.313) 9.167 6.522 ( 7.327 0.000 -0.210) 7.330 6.656 ( -2.402 0.000 -4.160) 4.804 6.750 ( -8.543 0.000 -15.120) 17.367 7.206 ( 12.996 0.000 5.361) 14.058 7.456 ( 7.040 0.000 4.710) 8.471 7.495 ( 3.409 0.000 -2.342) 4.136 7.556 ( -15.735 0.000 -6.399) 16.986 7.898 ( 6.833 0.000 7.604) 10.223 8.000 ( -6.862 0.000 -2.069) 7.168 8.293 ( 1.898 0.000 7.085) 7.335 8.461 ( -4.263 0.000 -7.207) 8.374 8.750 ( 1.688 0.000 4.248) 4.571 8.841 ( 2.655 0.000 -2.089) 3.378 8.974 ( -0.258 0.000 -13.756) 13.758 9.052 ( -8.017 0.000 5.988) 10.006 9.139 ( 14.731 0.000 2.555) 14.951 9.695 ( -14.631 0.000 -10.015) 17.730 10.239 ( -6.237 0.000 6.692) 9.148 10.355 ( 0.743 0.000 4.906) 4.962 10.902 ( 1.293 0.000 1.197) 1.763 10.909 ( 0.746 0.000 -1.852) 1.997 10.993 ( 0.491 0.000 -5.436) 5.458 11.128 ( -1.713 0.000 -4.240) 4.573 11.494 ( 3.158 0.000 9.433) 9.948 11.626 ( 2.178 0.000 5.173) 5.613 11.979 ( 6.413 0.000 6.789) 9.339 12.206 ( -3.278 0.000 0.819) 3.379 12.463 ( -0.822 0.000 -1.687) 1.876 12.692 ( 3.740 0.000 -11.419) 12.016 12.947 ( 7.556 0.000 -11.634) 13.873 13.204 ( -9.057 0.000 -13.591) 16.332 13.426 ( 9.123 0.000 -10.460) 13.880 13.555 ( -6.272 0.000 -3.072) 6.984 13.810 ( -2.356 0.000 10.537) 10.797 13.932 ( -16.011 0.000 2.772) 16.249 14.066 ( -1.053 0.000 0.133) 1.061 14.413 ( 7.303 0.000 9.520) 11.999 14.790 ( -5.637 0.000 -2.782) 6.286 14.798 ( -0.674 0.000 -1.306) 1.469 15.123 ( 8.742 0.000 -1.629) 8.892 15.367 ( 2.919 0.000 -2.195) 3.653 15.800 ( 15.892 0.000 1.420) 15.955 15.978 ( -12.940 0.000 -1.858) 13.072 16.263 ( 10.864 0.000 4.425) 11.730 16.293 ( 4.896 0.000 10.008) 11.141 16.456 ( 2.376 0.000 -0.180) 2.383 16.674 ( 1.256 0.000 -1.271) 1.787 16.814 ( -8.478 0.000 4.251) 9.484 17.246 ( -3.095 0.000 -2.905) 4.245 24.635 ( -0.346 0.000 2.634) 2.657 24.851 ( -5.804 0.000 -1.941) 6.120 25.132 ( -1.744 0.000 4.604) 4.923 25.208 ( -2.875 0.000 11.910) 12.252 25.620 ( -2.819 0.000 2.692) 3.898 25.715 ( -1.687 0.000 -4.848) 5.133 25.878 ( 0.341 0.000 4.937) 4.949 26.261 ( -16.965 0.000 -4.471) 17.544 27.401 ( 0.646 0.000 8.962) 8.985 27.561 ( -3.728 0.000 3.456) 5.084 28.091 ( 1.267 0.000 -8.042) 8.141 28.338 ( 37.555 0.000 -9.721) 38.793 29.657 ( -0.278 0.000 1.605) 1.629 29.934 ( -0.806 0.000 -2.934) 3.043 30.554 ( -4.101 0.000 0.667) 4.155 30.748 ( 0.269 0.000 -2.168) 2.185 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 11.147 0.000 22.553) 25.157 1.413 ( 7.419 0.000 30.963) 31.839 2.071 ( -11.034 0.000 25.199) 27.509 2.384 ( -3.924 0.000 9.165) 9.969 2.473 ( 1.290 0.000 -1.681) 2.119 2.596 ( -7.949 0.000 -2.401) 8.304 2.677 ( -10.539 0.000 0.092) 10.540 2.793 ( 5.177 0.000 10.056) 11.310 2.876 ( -5.863 0.000 18.643) 19.543 3.110 ( 3.792 0.000 -6.493) 7.519 3.226 ( 0.061 0.000 -4.296) 4.297 3.280 ( -1.192 0.000 -0.878) 1.480 3.400 ( -3.228 0.000 7.597) 8.254 3.406 ( -5.294 0.000 0.342) 5.305 3.469 ( 7.043 0.000 19.008) 20.271 3.668 ( 2.529 0.000 1.104) 2.759 3.758 ( -11.349 0.000 -1.625) 11.464 3.928 ( 4.668 0.000 -9.135) 10.258 4.226 ( -6.705 0.000 9.543) 11.663 4.360 ( 6.064 0.000 11.045) 12.601 4.477 ( 9.971 0.000 -1.443) 10.075 4.571 ( -9.396 0.000 -12.027) 15.262 5.118 ( 0.460 0.000 -5.427) 5.447 5.273 ( -7.484 0.000 -7.706) 10.742 5.508 ( -1.015 0.000 -1.804) 2.069 5.753 ( -1.463 0.000 4.465) 4.698 5.792 ( -1.199 0.000 0.541) 1.316 6.028 ( 6.789 0.000 -12.689) 14.391 6.034 ( -1.928 0.000 12.170) 12.321 6.188 ( -6.094 0.000 -3.564) 7.060 6.194 ( -5.547 0.000 -6.288) 8.384 6.594 ( -1.568 0.000 -11.421) 11.529 6.638 ( 3.275 0.000 -1.639) 3.662 6.719 ( 12.382 0.000 -7.230) 14.338 7.335 ( -3.345 0.000 -2.621) 4.249 7.525 ( 11.497 0.000 2.559) 11.778 7.575 ( 2.585 0.000 2.206) 3.399 7.591 ( 11.958 0.000 3.736) 12.528 7.837 ( -8.757 0.000 -0.798) 8.794 8.047 ( 3.326 0.000 5.002) 6.007 8.313 ( -6.244 0.000 -9.741) 11.570 8.416 ( 9.104 0.000 4.555) 10.180 8.693 ( -4.599 0.000 -2.961) 5.470 8.831 ( -5.390 0.000 -12.636) 13.738 8.886 ( -6.805 0.000 3.092) 7.475 9.003 ( 4.497 0.000 4.640) 6.461 9.346 ( -14.718 0.000 -1.671) 14.813 9.407 ( 9.375 0.000 2.628) 9.736 10.206 ( -0.175 0.000 5.792) 5.795 10.322 ( -6.209 0.000 4.897) 7.908 10.897 ( -1.566 0.000 1.114) 1.922 10.956 ( 5.083 0.000 -5.500) 7.489 11.048 ( -5.005 0.000 -2.847) 5.758 11.112 ( 11.946 0.000 -2.383) 12.181 11.616 ( 4.851 0.000 7.695) 9.096 11.751 ( 6.398 0.000 7.300) 9.706 12.088 ( -8.103 0.000 -2.357) 8.439 12.093 ( -1.874 0.000 7.585) 7.813 12.452 ( -0.183 0.000 0.801) 0.821 12.653 ( 0.251 0.000 -12.583) 12.585 12.898 ( -12.238 0.000 -15.692) 19.900 12.986 ( 3.121 0.000 -12.976) 13.346 13.449 ( -1.632 0.000 3.986) 4.307 13.535 ( 5.760 0.000 -6.360) 8.581 13.680 ( -6.225 0.000 -0.096) 6.226 13.927 ( 0.638 0.000 15.374) 15.388 14.105 ( 3.884 0.000 2.829) 4.805 14.539 ( -4.721 0.000 0.770) 4.783 14.730 ( 7.723 0.000 1.333) 7.837 14.753 ( -1.459 0.000 -3.376) 3.678 15.255 ( -6.848 0.000 -8.149) 10.644 15.304 ( 8.982 0.000 2.321) 9.277 15.702 ( -14.421 0.000 -3.976) 14.959 16.053 ( 6.970 0.000 -0.969) 7.037 16.398 ( -2.904 0.000 3.168) 4.298 16.469 ( 7.584 0.000 3.863) 8.512 16.499 ( 2.940 0.000 0.049) 2.940 16.672 ( 0.304 0.000 -3.798) 3.810 16.763 ( 2.629 0.000 8.049) 8.467 17.184 ( -1.468 0.000 -2.400) 2.813 24.684 ( 3.840 0.000 3.117) 4.946 24.795 ( 0.310 0.000 0.781) 0.840 25.105 ( -3.919 0.000 5.125) 6.451 25.264 ( 0.683 0.000 14.444) 14.460 25.575 ( -2.933 0.000 2.351) 3.759 25.641 ( -3.176 0.000 -3.361) 4.624 25.917 ( 0.620 0.000 5.062) 5.100 26.055 ( -6.018 0.000 1.475) 6.196 27.384 ( -6.668 0.000 6.915) 9.606 27.560 ( 1.192 0.000 4.358) 4.518 28.072 ( 1.569 0.000 -9.890) 10.013 28.620 ( 4.449 0.000 -19.648) 20.145 29.673 ( 0.826 0.000 1.794) 1.975 29.973 ( 5.743 0.000 -3.839) 6.908 30.551 ( 2.656 0.000 1.358) 2.983 30.737 ( -0.180 0.000 -2.201) 2.208 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 19.711 0.000 15.381) 25.002 1.706 ( 5.720 0.000 26.660) 27.266 1.912 ( -17.570 0.000 15.163) 23.208 2.269 ( -17.103 0.000 0.352) 17.107 2.371 ( -3.229 0.000 7.910) 8.543 2.432 ( -7.548 0.000 2.580) 7.977 2.634 ( 3.144 0.000 -3.329) 4.579 2.801 ( -5.047 0.000 8.244) 9.667 2.877 ( -6.905 0.000 1.250) 7.017 3.109 ( -7.387 0.000 -4.730) 8.772 3.171 ( 4.775 0.000 -2.226) 5.269 3.264 ( -2.432 0.000 1.921) 3.100 3.286 ( -5.871 0.000 1.756) 6.128 3.404 ( 0.618 0.000 5.832) 5.865 3.566 ( -7.708 0.000 -2.065) 7.980 3.727 ( 2.362 0.000 0.418) 2.399 3.741 ( 7.459 0.000 26.664) 27.688 3.966 ( 3.195 0.000 -7.627) 8.269 4.120 ( -14.724 0.000 1.556) 14.806 4.334 ( -1.775 0.000 -5.681) 5.952 4.401 ( -1.384 0.000 3.379) 3.651 4.684 ( 7.583 0.000 -1.411) 7.713 5.033 ( -4.852 0.000 -6.081) 7.780 5.146 ( -1.864 0.000 -4.910) 5.252 5.524 ( 3.070 0.000 0.864) 3.190 5.791 ( 0.336 0.000 0.449) 0.561 5.793 ( 2.290 0.000 4.484) 5.035 5.978 ( -0.629 0.000 -15.613) 15.625 6.051 ( -3.252 0.000 9.508) 10.049 6.113 ( -0.639 0.000 3.458) 3.517 6.168 ( 1.578 0.000 2.966) 3.360 6.527 ( -0.313 0.000 -7.634) 7.640 6.737 ( 5.699 0.000 0.948) 5.778 6.862 ( 8.801 0.000 -8.086) 11.951 7.414 ( 9.914 0.000 0.718) 9.940 7.575 ( -2.504 0.000 -0.114) 2.507 7.650 ( 3.574 0.000 4.809) 5.991 7.665 ( -4.127 0.000 -3.547) 5.442 7.978 ( 18.032 0.000 2.740) 18.239 8.061 ( -2.567 0.000 1.208) 2.837 8.121 ( -9.028 0.000 -6.152) 10.925 8.578 ( 4.865 0.000 -9.157) 10.369 8.579 ( -5.284 0.000 -1.104) 5.399 8.696 ( -4.626 0.000 1.350) 4.819 8.792 ( -2.679 0.000 -0.949) 2.842 9.095 ( 1.627 0.000 4.737) 5.008 9.192 ( -0.585 0.000 -0.628) 0.858 9.501 ( 0.073 0.000 1.842) 1.843 10.219 ( -6.401 0.000 3.630) 7.358 10.301 ( 6.878 0.000 4.511) 8.225 10.887 ( -0.532 0.000 3.125) 3.169 10.918 ( -7.816 0.000 -0.888) 7.867 11.037 ( 7.220 0.000 -4.576) 8.548 11.308 ( 7.956 0.000 1.028) 8.022 11.704 ( -0.912 0.000 -1.982) 2.182 11.876 ( -3.734 0.000 5.544) 6.684 11.963 ( -0.543 0.000 0.034) 0.544 11.999 ( -2.767 0.000 5.956) 6.567 12.459 ( -0.253 0.000 3.030) 3.040 12.594 ( 0.095 0.000 -10.817) 10.818 12.638 ( -6.204 0.000 -13.154) 14.544 12.950 ( -0.225 0.000 -11.452) 11.455 13.473 ( 1.595 0.000 -6.610) 6.799 13.599 ( 4.910 0.000 -3.922) 6.284 13.697 ( 6.103 0.000 10.133) 11.829 14.019 ( -0.317 0.000 16.972) 16.975 14.197 ( 3.149 0.000 3.465) 4.682 14.366 ( -8.763 0.000 -5.553) 10.374 14.729 ( 1.067 0.000 -3.625) 3.779 14.955 ( 10.861 0.000 3.550) 11.426 15.071 ( -7.001 0.000 -12.002) 13.895 15.363 ( -10.946 0.000 0.567) 10.961 15.522 ( 4.620 0.000 -1.607) 4.892 16.111 ( 0.454 0.000 2.883) 2.919 16.274 ( -8.024 0.000 -3.583) 8.787 16.494 ( -2.428 0.000 0.163) 2.433 16.502 ( -3.986 0.000 -1.846) 4.393 16.700 ( 4.384 0.000 -4.297) 6.139 16.936 ( 7.156 0.000 8.569) 11.164 17.185 ( 2.037 0.000 1.050) 2.292 24.795 ( 5.533 0.000 3.475) 6.534 24.844 ( 3.193 0.000 2.247) 3.905 25.042 ( -5.822 0.000 5.676) 8.131 25.371 ( 3.069 0.000 10.667) 11.100 25.548 ( -1.375 0.000 2.738) 3.064 25.592 ( -1.101 0.000 2.623) 2.845 25.944 ( -0.750 0.000 5.055) 5.111 26.000 ( -1.557 0.000 2.018) 2.549 27.285 ( -6.198 0.000 4.124) 7.445 27.608 ( 0.766 0.000 5.286) 5.341 28.027 ( -0.181 0.000 -14.388) 14.389 28.473 ( -6.654 0.000 -15.947) 17.279 29.698 ( 0.516 0.000 2.084) 2.146 30.040 ( 2.864 0.000 -3.031) 4.170 30.634 ( 5.710 0.000 -2.064) 6.072 30.724 ( 0.123 0.000 -2.000) 2.004 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -21.442 0.000 12.515) 24.827 1.762 ( -17.050 0.000 12.972) 21.424 2.028 ( -4.297 0.000 11.352) 12.138 2.128 ( 18.477 0.000 9.795) 20.913 2.361 ( -3.304 0.000 5.372) 6.307 2.442 ( 5.773 0.000 7.526) 9.485 2.614 ( -18.763 0.000 8.433) 20.571 2.630 ( -0.626 0.000 -5.858) 5.892 2.788 ( -3.614 0.000 7.778) 8.577 2.985 ( -2.497 0.000 -4.470) 5.120 3.182 ( 0.690 0.000 -6.569) 6.605 3.209 ( -5.212 0.000 6.882) 8.633 3.256 ( -0.563 0.000 1.509) 1.611 3.433 ( -2.743 0.000 -5.777) 6.395 3.484 ( 2.622 0.000 4.653) 5.341 3.745 ( -17.898 0.000 -0.263) 17.900 3.758 ( 0.693 0.000 0.888) 1.126 3.951 ( 3.046 0.000 5.627) 6.398 4.034 ( 3.840 0.000 10.897) 11.554 4.379 ( -2.594 0.000 2.585) 3.663 4.421 ( 9.136 0.000 -5.407) 10.616 4.706 ( -2.240 0.000 -6.656) 7.022 4.942 ( -0.673 0.000 -4.548) 4.597 5.151 ( 4.179 0.000 -2.995) 5.141 5.592 ( 1.786 0.000 3.341) 3.789 5.806 ( 1.926 0.000 -2.168) 2.900 5.855 ( 1.261 0.000 4.650) 4.818 5.929 ( 1.342 0.000 -3.360) 3.619 6.042 ( -1.843 0.000 9.988) 10.157 6.185 ( 4.525 0.000 4.301) 6.243 6.188 ( -0.609 0.000 -2.547) 2.619 6.521 ( 2.400 0.000 -1.768) 2.981 6.800 ( 0.088 0.000 1.516) 1.518 6.997 ( 9.651 0.000 -5.267) 10.995 7.476 ( -4.477 0.000 -2.564) 5.159 7.563 ( -5.108 0.000 -4.227) 6.630 7.627 ( 7.244 0.000 0.768) 7.285 7.684 ( -6.646 0.000 -3.417) 7.473 7.927 ( -1.059 0.000 4.068) 4.203 8.009 ( -1.699 0.000 1.172) 2.064 8.329 ( 13.515 0.000 -0.116) 13.516 8.513 ( -4.290 0.000 -11.167) 11.963 8.523 ( -0.409 0.000 0.348) 0.537 8.625 ( -4.666 0.000 3.633) 5.913 8.784 ( 2.863 0.000 -1.126) 3.077 9.122 ( -0.816 0.000 5.443) 5.504 9.259 ( 5.892 0.000 -6.717) 8.936 9.480 ( -1.501 0.000 3.608) 3.908 10.148 ( -2.727 0.000 3.083) 4.116 10.473 ( 7.546 0.000 5.378) 9.266 10.764 ( -7.516 0.000 -0.122) 7.517 10.907 ( 0.262 0.000 4.084) 4.092 11.181 ( 9.832 0.000 -3.012) 10.283 11.392 ( -0.156 0.000 4.593) 4.595 11.540 ( -10.018 0.000 -9.104) 13.536 11.677 ( -12.198 0.000 3.461) 12.680 12.059 ( 5.938 0.000 1.282) 6.075 12.143 ( 8.328 0.000 5.418) 9.935 12.464 ( -0.781 0.000 2.637) 2.750 12.548 ( 0.815 0.000 -8.222) 8.263 12.590 ( 8.346 0.000 -9.476) 12.628 12.833 ( -5.027 0.000 -13.277) 14.197 13.456 ( 1.447 0.000 -7.378) 7.519 13.686 ( 6.087 0.000 -2.702) 6.660 13.918 ( 8.987 0.000 13.016) 15.817 14.073 ( -3.716 0.000 14.477) 14.946 14.196 ( -5.729 0.000 -3.367) 6.645 14.237 ( -0.890 0.000 0.388) 0.971 14.759 ( 3.799 0.000 -1.260) 4.003 14.882 ( -5.820 0.000 -13.322) 14.538 15.090 ( -2.034 0.000 -5.374) 5.746 15.150 ( -4.584 0.000 2.378) 5.164 15.661 ( 7.827 0.000 3.245) 8.473 16.085 ( -7.467 0.000 0.571) 7.488 16.151 ( 0.078 0.000 -0.990) 0.993 16.395 ( -4.849 0.000 -3.294) 5.862 16.434 ( -3.449 0.000 -0.987) 3.587 16.720 ( 0.476 0.000 -5.428) 5.449 17.060 ( 1.346 0.000 7.223) 7.347 17.252 ( 3.275 0.000 2.949) 4.407 24.868 ( -2.522 0.000 2.721) 3.710 24.912 ( 2.066 0.000 3.949) 4.457 24.993 ( -0.076 0.000 6.274) 6.275 25.440 ( 1.117 0.000 -2.533) 2.769 25.556 ( 0.435 0.000 3.490) 3.517 25.661 ( 3.843 0.000 10.330) 11.022 25.940 ( -2.554 0.000 4.929) 5.551 26.038 ( 4.496 0.000 9.691) 10.683 27.222 ( -2.374 0.000 3.478) 4.211 27.638 ( -0.576 0.000 5.256) 5.288 27.874 ( -6.733 0.000 -22.351) 23.343 28.285 ( -4.953 0.000 -10.571) 11.674 29.707 ( -0.857 0.000 2.160) 2.324 30.052 ( 0.032 0.000 -1.579) 1.579 30.718 ( 4.829 0.000 -4.772) 6.789 30.723 ( 0.890 0.000 -1.759) 1.971 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -18.589 0.000 19.566) 26.988 1.417 ( -22.695 0.000 13.588) 26.452 2.111 ( 2.658 0.000 14.818) 15.055 2.215 ( -18.712 0.000 17.352) 25.519 2.383 ( -5.585 0.000 9.140) 10.711 2.488 ( 11.510 0.000 5.019) 12.557 2.534 ( 0.181 0.000 -6.502) 6.505 2.672 ( 7.864 0.000 6.222) 10.028 2.808 ( 0.267 0.000 13.935) 13.938 2.972 ( 3.407 0.000 -2.724) 4.362 3.167 ( -2.886 0.000 7.099) 7.663 3.190 ( 3.509 0.000 -4.690) 5.857 3.237 ( -2.160 0.000 0.986) 2.374 3.371 ( -0.826 0.000 -3.263) 3.366 3.499 ( -8.874 0.000 0.750) 8.905 3.565 ( 3.897 0.000 0.304) 3.909 3.768 ( -0.458 0.000 3.269) 3.301 3.971 ( 1.964 0.000 -7.737) 7.982 4.201 ( 3.579 0.000 18.263) 18.611 4.334 ( -3.751 0.000 2.350) 4.426 4.541 ( 8.337 0.000 -10.392) 13.323 4.580 ( -6.747 0.000 -5.267) 8.560 4.950 ( 3.551 0.000 -5.478) 6.529 5.252 ( 7.787 0.000 -1.365) 7.906 5.607 ( -2.080 0.000 4.473) 4.933 5.798 ( -1.224 0.000 -6.984) 7.090 5.890 ( 0.025 0.000 4.890) 4.890 6.021 ( 7.310 0.000 5.348) 9.057 6.072 ( -3.018 0.000 11.667) 12.051 6.126 ( -2.918 0.000 -4.758) 5.582 6.300 ( 6.886 0.000 0.049) 6.886 6.557 ( 0.883 0.000 -0.756) 1.162 6.772 ( -2.963 0.000 -0.094) 2.964 7.137 ( 7.150 0.000 -6.653) 9.767 7.344 ( -14.179 0.000 -4.059) 14.749 7.354 ( -6.650 0.000 -4.113) 7.819 7.534 ( -3.816 0.000 -5.668) 6.833 7.670 ( -0.140 0.000 1.583) 1.589 8.037 ( 4.839 0.000 6.832) 8.373 8.079 ( 4.756 0.000 8.929) 10.117 8.289 ( -12.901 0.000 -10.818) 16.836 8.469 ( 5.279 0.000 -3.829) 6.522 8.541 ( 1.136 0.000 -0.143) 1.145 8.619 ( 2.025 0.000 5.079) 5.468 8.874 ( 4.793 0.000 0.515) 4.820 9.140 ( -1.059 0.000 6.952) 7.032 9.230 ( 0.098 0.000 -19.547) 19.547 9.579 ( 8.080 0.000 7.951) 11.336 10.160 ( 2.175 0.000 3.571) 4.181 10.507 ( -8.841 0.000 7.474) 11.577 10.762 ( 8.845 0.000 -1.782) 9.023 10.922 ( -0.898 0.000 2.335) 2.502 11.291 ( 0.251 0.000 -0.788) 0.827 11.296 ( -10.232 0.000 -7.477) 12.673 11.390 ( -2.508 0.000 6.029) 6.530 11.568 ( 0.777 0.000 1.196) 1.427 12.147 ( 3.803 0.000 -0.041) 3.803 12.217 ( -4.986 0.000 -9.383) 10.625 12.475 ( 0.328 0.000 2.009) 2.036 12.555 ( 4.268 0.000 -5.425) 6.902 12.720 ( 3.523 0.000 -6.708) 7.577 12.798 ( 17.300 0.000 -7.520) 18.864 13.470 ( 2.663 0.000 0.487) 2.707 13.733 ( 0.170 0.000 -10.274) 10.275 14.002 ( -8.158 0.000 4.945) 9.540 14.136 ( -0.395 0.000 3.278) 3.302 14.170 ( 10.762 0.000 12.533) 16.519 14.203 ( -1.488 0.000 0.367) 1.533 14.689 ( -7.878 0.000 -8.102) 11.301 14.878 ( 6.263 0.000 5.009) 8.020 14.921 ( -7.742 0.000 -1.333) 7.856 15.143 ( -0.810 0.000 -5.241) 5.304 15.838 ( 9.056 0.000 4.502) 10.113 15.944 ( -5.388 0.000 -6.885) 8.743 16.166 ( -0.512 0.000 4.204) 4.235 16.301 ( -4.571 0.000 -0.752) 4.633 16.378 ( -1.447 0.000 0.271) 1.472 16.681 ( -0.939 0.000 -5.120) 5.205 17.061 ( -4.744 0.000 5.694) 7.411 17.310 ( 1.108 0.000 1.727) 2.052 24.770 ( -7.177 0.000 2.904) 7.742 24.956 ( 0.114 0.000 4.446) 4.447 25.066 ( 2.573 0.000 5.024) 5.645 25.396 ( -3.731 0.000 -4.283) 5.680 25.595 ( 1.337 0.000 4.021) 4.238 25.743 ( 1.773 0.000 -0.747) 1.924 25.906 ( -3.635 0.000 4.605) 5.867 26.372 ( 22.646 0.000 20.196) 30.343 27.237 ( 1.493 0.000 4.786) 5.013 27.543 ( -14.616 0.000 -21.909) 26.337 27.642 ( -2.094 0.000 5.141) 5.551 28.178 ( -1.828 0.000 -7.964) 8.171 29.691 ( -1.872 0.000 2.006) 2.744 30.033 ( -1.210 0.000 -1.097) 1.633 30.735 ( 1.302 0.000 -1.741) 2.174 30.745 ( 1.091 0.000 -7.230) 7.312 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -13.005 0.000 25.449) 28.579 1.156 ( -14.463 0.000 23.680) 27.748 2.004 ( -15.198 0.000 36.725) 39.746 2.252 ( 3.319 0.000 15.092) 15.452 2.430 ( 2.703 0.000 12.110) 12.408 2.474 ( -1.026 0.000 -8.327) 8.390 2.642 ( 3.118 0.000 5.144) 6.015 2.845 ( 4.574 0.000 5.306) 7.006 2.932 ( 5.622 0.000 7.241) 9.168 3.070 ( 6.483 0.000 1.884) 6.751 3.149 ( -7.907 0.000 3.288) 8.564 3.196 ( 2.815 0.000 4.297) 5.138 3.256 ( 3.107 0.000 -0.271) 3.119 3.369 ( 2.152 0.000 -2.394) 3.220 3.416 ( -0.596 0.000 -0.375) 0.704 3.621 ( 1.485 0.000 0.409) 1.540 3.806 ( 3.841 0.000 5.439) 6.658 3.956 ( 1.121 0.000 -9.319) 9.387 4.241 ( -9.204 0.000 3.765) 9.945 4.315 ( -0.916 0.000 12.490) 12.523 4.445 ( -3.656 0.000 -3.829) 5.294 4.652 ( 9.500 0.000 -10.227) 13.959 5.000 ( 5.373 0.000 -6.866) 8.718 5.423 ( 10.589 0.000 -0.831) 10.622 5.583 ( -2.699 0.000 4.179) 4.975 5.703 ( -2.739 0.000 -7.445) 7.933 5.896 ( -2.806 0.000 3.835) 4.752 6.016 ( -4.617 0.000 -3.391) 5.729 6.027 ( -6.970 0.000 11.900) 13.791 6.227 ( 9.649 0.000 1.541) 9.771 6.416 ( 3.513 0.000 -2.448) 4.282 6.527 ( -2.445 0.000 -3.476) 4.250 6.711 ( -1.844 0.000 -3.229) 3.718 7.035 ( -10.431 0.000 -17.090) 20.022 7.120 ( -6.223 0.000 0.293) 6.230 7.318 ( 4.036 0.000 3.751) 5.510 7.474 ( 0.520 0.000 -4.794) 4.822 7.741 ( 4.126 0.000 7.680) 8.718 7.934 ( -17.963 0.000 -7.380) 19.420 8.090 ( -1.453 0.000 -0.501) 1.537 8.214 ( 3.506 0.000 6.684) 7.548 8.522 ( 0.515 0.000 -2.587) 2.638 8.603 ( 6.812 0.000 3.291) 7.566 8.779 ( 11.628 0.000 8.632) 14.482 8.896 ( -2.089 0.000 -2.189) 3.026 9.123 ( 0.521 0.000 -20.829) 20.835 9.133 ( -4.294 0.000 7.243) 8.420 9.780 ( 8.453 0.000 -1.978) 8.681 10.258 ( 5.487 0.000 4.065) 6.829 10.357 ( -9.802 0.000 5.857) 11.419 10.901 ( -1.593 0.000 0.602) 1.703 10.910 ( 5.140 0.000 -2.364) 5.658 11.094 ( -6.944 0.000 -6.333) 9.398 11.206 ( -7.059 0.000 1.530) 7.223 11.409 ( 0.450 0.000 8.813) 8.824 11.627 ( 2.069 0.000 -4.951) 5.366 11.951 ( -9.304 0.000 -4.654) 10.403 12.206 ( 2.002 0.000 0.793) 2.153 12.483 ( -0.248 0.000 -0.311) 0.398 12.630 ( 7.314 0.000 -8.477) 11.196 12.849 ( 9.266 0.000 -7.114) 11.682 13.098 ( 17.455 0.000 -5.512) 18.305 13.562 ( 4.065 0.000 5.274) 6.659 13.569 ( -8.049 0.000 -18.193) 19.894 13.858 ( -7.580 0.000 1.347) 7.699 14.114 ( -3.264 0.000 1.427) 3.562 14.266 ( 4.287 0.000 7.043) 8.245 14.268 ( -12.015 0.000 -5.377) 13.164 14.682 ( 11.750 0.000 9.434) 15.069 14.840 ( -1.390 0.000 2.333) 2.716 15.059 ( 11.756 0.000 12.452) 17.125 15.078 ( -0.730 0.000 -8.141) 8.173 15.792 ( -6.493 0.000 -7.833) 10.174 16.040 ( 10.151 0.000 4.439) 11.079 16.186 ( -8.327 0.000 -0.246) 8.330 16.192 ( 1.392 0.000 6.024) 6.183 16.400 ( 2.376 0.000 2.250) 3.272 16.657 ( 0.888 0.000 -2.536) 2.687 16.958 ( -8.699 0.000 4.467) 9.779 17.305 ( -1.751 0.000 -0.791) 1.921 24.670 ( -4.753 0.000 2.586) 5.411 24.952 ( -2.791 0.000 0.850) 2.918 25.120 ( 0.451 0.000 4.497) 4.520 25.272 ( -7.397 0.000 1.304) 7.511 25.632 ( -0.087 0.000 3.679) 3.680 25.748 ( 0.427 0.000 -3.763) 3.788 25.870 ( -2.388 0.000 4.537) 5.127 26.666 ( -10.294 0.000 -17.795) 20.558 27.315 ( 3.053 0.000 6.951) 7.592 27.525 ( 32.477 0.000 16.077) 36.239 27.614 ( -3.743 0.000 4.791) 6.080 28.121 ( -0.072 0.000 -7.515) 7.516 29.667 ( -1.603 0.000 1.740) 2.366 29.992 ( -2.455 0.000 -2.189) 3.290 30.670 ( -4.939 0.000 -6.211) 7.936 30.748 ( 0.987 0.000 -1.948) 2.184 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -10.295 11.211 22.465) 27.136 1.283 ( 4.012 12.183 24.104) 27.304 2.261 ( -2.619 1.960 15.833) 16.168 2.307 ( -1.330 13.129 25.457) 28.674 2.436 ( 1.710 1.167 -7.011) 7.310 2.736 ( -1.154 7.806 9.989) 12.729 2.764 ( 1.283 6.198 -0.111) 6.330 2.933 ( -3.225 5.044 5.602) 8.199 3.005 ( 1.197 -2.529 -3.414) 4.414 3.037 ( -8.112 5.806 7.456) 12.454 3.183 ( 3.318 -2.412 -1.546) 4.384 3.244 ( 1.624 -2.647 8.837) 9.367 3.309 ( 1.846 1.308 -2.898) 3.677 3.416 ( 2.977 2.060 4.002) 5.397 3.463 ( 3.644 0.354 3.459) 5.037 3.574 ( -2.550 0.701 3.277) 4.211 3.926 ( -6.225 -0.143 -5.806) 8.513 4.032 ( 10.407 1.393 4.665) 11.489 4.239 ( -5.425 11.247 -1.175) 12.542 4.287 ( -1.320 1.409 -0.075) 1.932 4.505 ( -3.517 7.820 5.105) 9.979 4.663 ( 5.081 -1.904 -4.764) 7.220 5.063 ( 5.294 -2.788 -4.793) 7.667 5.325 ( -3.622 -10.798 -2.711) 11.707 5.543 ( -1.654 -1.204 -1.347) 2.450 5.693 ( 5.564 -4.270 0.007) 7.014 5.793 ( -3.574 -3.961 3.688) 6.486 5.939 ( -0.444 1.316 2.943) 3.255 6.098 ( -1.773 2.669 1.705) 3.630 6.204 ( -1.235 -4.203 -3.657) 5.706 6.333 ( -4.446 -1.773 -7.820) 9.169 6.507 ( 2.141 0.461 -0.034) 2.190 6.680 ( -2.118 2.236 -5.379) 6.198 6.827 ( -5.878 3.631 -12.455) 14.243 7.236 ( 11.238 1.276 1.300) 11.385 7.288 ( -5.604 -7.926 -1.847) 9.882 7.493 ( 0.401 1.034 1.745) 2.068 7.723 ( -1.683 7.381 -2.232) 7.892 7.940 ( 9.615 3.016 6.130) 11.795 8.038 ( -4.129 4.615 0.164) 6.194 8.293 ( 3.010 0.474 4.352) 5.312 8.447 ( -4.645 -3.131 -4.383) 7.112 8.762 ( -0.988 0.757 0.448) 1.323 8.850 ( 2.133 -0.822 3.955) 4.568 8.891 ( 4.723 -4.640 5.205) 8.423 9.063 ( -1.149 4.321 -18.907) 19.428 9.261 ( 3.839 6.091 1.811) 7.424 9.631 ( -10.659 -5.191 -3.783) 12.445 10.185 ( -3.230 -2.783 7.494) 8.622 10.438 ( -0.954 5.491 4.294) 7.035 10.835 ( 1.915 -6.216 0.537) 6.526 10.929 ( 1.892 1.101 -1.639) 2.735 11.007 ( -1.838 1.617 -5.286) 5.826 11.104 ( -3.020 -2.388 -2.924) 4.834 11.236 ( 1.737 -9.814 6.824) 12.079 11.780 ( 7.389 2.010 0.611) 7.682 12.034 ( 1.273 4.764 6.989) 8.554 12.264 ( -3.398 3.311 -3.679) 6.004 12.440 ( 0.709 -0.537 -1.292) 1.569 12.667 ( -0.213 -1.010 -9.830) 9.884 12.944 ( 6.738 -2.025 -10.678) 12.788 13.133 ( 2.619 -8.614 -3.827) 9.783 13.337 ( -7.498 -0.775 -15.792) 17.499 13.621 ( -2.531 0.801 -8.558) 8.960 13.830 ( -6.465 0.362 6.910) 9.469 13.891 ( -5.160 -0.965 7.931) 9.510 14.058 ( -0.577 -2.914 3.167) 4.342 14.392 ( 6.352 -0.484 7.798) 10.069 14.658 ( 2.220 -7.180 -0.571) 7.537 14.804 ( 1.697 -4.195 4.594) 6.448 14.975 ( -3.395 -7.133 -2.098) 8.173 15.428 ( -5.387 5.127 -4.023) 8.455 15.677 ( 13.697 -2.491 11.613) 18.130 16.205 ( 3.084 4.439 -4.666) 7.140 16.273 ( 4.852 2.173 5.738) 7.822 16.381 ( -0.101 9.371 1.572) 9.502 16.542 ( 4.626 6.869 -2.718) 8.716 16.634 ( -1.021 -2.129 -1.377) 2.733 16.859 ( -4.773 3.016 2.205) 6.061 17.204 ( -3.214 -4.053 -2.740) 5.853 24.651 ( -0.150 1.519 2.245) 2.715 24.844 ( -5.680 -0.690 -1.281) 5.863 25.134 ( -1.597 0.268 4.802) 5.067 25.206 ( -1.640 -0.106 11.107) 11.228 25.625 ( -2.666 0.124 2.547) 3.689 25.701 ( -0.803 -1.257 -3.586) 3.883 25.847 ( -1.113 -2.825 4.722) 5.614 26.140 ( -8.571 -9.036 1.722) 12.573 27.395 ( -1.097 -1.973 8.425) 8.722 27.520 ( 1.980 -1.418 2.986) 3.854 27.873 ( 7.686 -17.970 0.317) 19.547 28.128 ( 10.395 -5.467 -4.773) 12.678 29.790 ( -3.373 1.599 -3.665) 5.231 30.069 ( 6.104 2.451 -9.134) 11.256 30.706 ( -2.091 20.840 -4.682) 21.462 30.933 ( 1.192 12.601 -3.904) 13.245 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 1.839 1.503 24.893) 25.006 1.550 ( 10.498 11.487 20.827) 25.998 2.218 ( -11.037 8.012 15.333) 20.521 2.393 ( -1.298 -0.616 7.172) 7.315 2.416 ( -2.196 1.264 -2.434) 3.514 2.656 ( -6.510 2.705 -0.979) 7.117 2.803 ( -9.016 8.028 2.955) 12.429 2.842 ( 1.881 6.053 4.666) 7.871 2.958 ( -4.430 7.392 16.314) 18.450 3.056 ( 3.566 -4.693 -3.722) 6.971 3.202 ( -0.553 -4.939 -2.952) 5.781 3.245 ( -3.090 1.539 -3.875) 5.190 3.376 ( 0.289 -1.970 4.546) 4.963 3.463 ( 0.155 3.996 1.977) 4.461 3.552 ( 3.293 4.825 12.721) 13.998 3.569 ( 1.411 -5.441 2.624) 6.204 3.772 ( -7.526 4.453 1.442) 8.862 4.141 ( 1.602 12.629 -9.599) 15.944 4.202 ( -1.581 -2.817 9.561) 10.092 4.287 ( 1.138 -1.252 1.482) 2.249 4.532 ( 3.427 5.591 6.360) 9.135 4.673 ( -1.600 5.587 -4.205) 7.173 5.078 ( -1.388 -3.977 -5.881) 7.234 5.225 ( -4.241 -3.860 -6.016) 8.312 5.479 ( -3.797 -3.150 0.342) 4.946 5.699 ( -0.768 -3.805 -2.030) 4.381 5.789 ( 0.154 -1.107 1.376) 1.773 5.981 ( 1.105 -0.596 5.987) 6.118 6.114 ( 0.991 -1.000 -0.392) 1.461 6.142 ( -2.517 -2.870 -1.451) 4.084 6.189 ( -4.790 3.758 -6.826) 9.146 6.531 ( -0.573 -1.070 -5.831) 5.956 6.708 ( 8.643 1.219 -1.875) 8.928 6.766 ( 4.936 5.521 -6.882) 10.110 7.167 ( -1.902 -11.090 -2.657) 11.562 7.452 ( 3.561 -3.295 -1.965) 5.234 7.583 ( 13.089 1.309 8.225) 15.514 7.752 ( 2.769 7.564 -0.264) 8.059 7.897 ( -7.620 5.126 1.205) 9.262 8.112 ( 1.821 5.831 2.908) 6.765 8.294 ( -6.791 -1.965 -8.654) 11.174 8.439 ( 9.461 1.041 4.082) 10.356 8.706 ( -3.333 0.046 -2.017) 3.896 8.833 ( -6.787 -4.106 5.261) 9.519 8.901 ( -3.459 7.020 -16.014) 17.824 9.017 ( 4.322 0.259 3.324) 5.459 9.368 ( -11.271 1.819 -4.294) 12.198 9.399 ( 6.483 -1.000 3.051) 7.235 10.185 ( -0.402 -0.798 7.279) 7.333 10.397 ( -5.109 5.847 3.643) 8.577 10.858 ( -1.286 -4.198 2.701) 5.155 10.980 ( 4.054 -1.451 -0.766) 4.373 11.012 ( -3.550 -1.719 0.217) 3.950 11.064 ( 7.905 -0.989 -6.978) 10.591 11.364 ( 8.731 -10.694 4.111) 14.404 11.936 ( 5.574 -3.306 1.702) 6.701 12.004 ( -5.522 3.725 1.267) 6.781 12.187 ( -5.953 4.322 1.185) 7.451 12.454 ( 0.835 0.843 1.594) 1.987 12.544 ( -5.391 -6.106 -10.611) 13.377 12.952 ( -0.272 -0.822 -10.885) 10.919 13.067 ( -4.406 9.040 -13.356) 16.719 13.218 ( 2.746 -15.688 0.575) 15.936 13.549 ( 0.401 -3.496 -10.045) 10.643 13.705 ( -5.847 2.719 6.188) 8.937 13.953 ( 1.002 1.176 13.481) 13.569 14.129 ( 5.230 1.955 4.030) 6.886 14.448 ( -5.544 -3.437 1.346) 6.660 14.706 ( 8.355 -2.743 0.840) 8.834 14.807 ( -2.256 0.493 -4.996) 5.504 14.985 ( -1.529 -14.559 4.911) 15.441 15.324 ( 0.216 0.335 -1.928) 1.969 15.795 ( -5.120 6.962 -0.064) 8.642 16.204 ( 1.446 7.944 -5.288) 9.652 16.339 ( -0.999 -2.307 1.342) 2.850 16.451 ( 0.507 1.128 5.392) 5.532 16.611 ( 3.918 -2.619 -2.320) 5.253 16.654 ( 4.896 7.685 -0.890) 9.155 16.838 ( 2.183 4.750 3.428) 6.252 17.149 ( -0.654 -3.231 -2.765) 4.302 24.700 ( 3.720 1.357 2.750) 4.821 24.796 ( 0.574 0.080 0.920) 1.087 25.112 ( -3.592 0.777 4.849) 6.084 25.267 ( 0.791 0.214 13.281) 13.307 25.576 ( -3.507 -0.079 1.691) 3.895 25.657 ( -1.689 1.224 -2.524) 3.274 25.859 ( -0.783 -4.795 5.580) 7.399 26.040 ( -3.471 -1.479 1.630) 4.110 27.357 ( -6.061 -2.372 5.575) 8.570 27.570 ( 1.711 1.110 4.108) 4.587 27.939 ( 2.112 -13.302 -4.475) 14.192 28.285 ( 7.070 -18.210 -9.537) 21.738 29.693 ( -4.257 1.480 -0.806) 4.579 30.132 ( 5.338 -1.047 -10.039) 11.418 30.635 ( -3.042 19.053 0.340) 19.298 30.967 ( 4.073 14.365 -5.169) 15.801 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 6.647 -6.286 24.069) 25.749 1.822 ( 4.280 4.515 13.098) 14.500 2.021 ( -12.634 3.988 7.391) 15.171 2.255 ( -13.726 3.106 1.572) 14.161 2.370 ( -1.989 1.102 6.462) 6.850 2.615 ( -1.420 4.601 0.748) 4.873 2.648 ( -1.995 8.191 -3.490) 9.124 2.900 ( -0.009 5.666 3.157) 6.486 3.011 ( -0.848 10.796 11.209) 15.586 3.053 ( -7.825 -3.522 -1.462) 8.704 3.118 ( 1.718 -4.388 -2.133) 5.173 3.185 ( -1.405 -4.694 -8.984) 10.233 3.301 ( -4.843 2.293 2.336) 5.845 3.464 ( -1.904 4.998 5.201) 7.461 3.531 ( -6.001 -1.633 1.652) 6.435 3.715 ( 4.171 0.436 3.425) 5.414 3.829 ( 8.009 6.272 20.578) 22.955 4.121 ( -6.944 7.586 1.232) 10.357 4.144 ( -1.904 6.679 -2.678) 7.443 4.338 ( 2.115 0.894 2.768) 3.596 4.486 ( -8.169 5.072 -1.656) 9.757 4.674 ( 2.436 -0.461 -2.577) 3.576 4.981 ( -4.250 -4.464 -5.222) 8.079 5.146 ( -0.194 1.351 -4.665) 4.860 5.449 ( 0.327 -6.706 1.937) 6.988 5.683 ( 1.036 -5.387 -4.952) 7.390 5.820 ( 2.029 -0.793 2.981) 3.692 6.008 ( -2.105 -1.243 -1.994) 3.154 6.054 ( -2.993 0.476 7.440) 8.033 6.081 ( -2.372 -2.047 -0.905) 3.261 6.204 ( 3.719 4.967 1.011) 6.287 6.518 ( 2.839 1.370 -3.924) 5.033 6.769 ( -0.083 3.427 1.212) 3.636 6.949 ( 13.553 4.573 -4.376) 14.958 7.258 ( 11.736 -12.100 -2.344) 17.019 7.444 ( -1.702 -4.676 -0.853) 5.048 7.693 ( -4.682 2.510 -3.584) 6.409 7.825 ( -1.207 5.492 3.593) 6.673 7.957 ( 14.524 -0.391 3.441) 14.931 8.090 ( -4.878 3.139 -2.229) 6.214 8.127 ( -3.893 1.173 -1.891) 4.484 8.527 ( -1.824 1.289 -1.423) 2.648 8.653 ( -3.191 -3.410 2.796) 5.443 8.683 ( -6.497 0.715 -9.035) 11.152 8.817 ( 0.971 3.728 -5.984) 7.117 9.116 ( 3.553 1.783 6.194) 7.360 9.238 ( -1.109 3.759 -0.072) 3.920 9.480 ( 1.276 -2.242 -0.293) 2.597 10.217 ( -2.464 0.050 6.171) 6.645 10.355 ( 1.515 4.983 2.642) 5.840 10.844 ( -4.483 -3.586 6.720) 8.838 10.908 ( -3.316 -1.524 -0.653) 3.708 11.073 ( 6.154 2.724 -3.405) 7.542 11.196 ( 6.109 -6.718 0.596) 9.100 11.575 ( 9.350 -8.073 -2.256) 12.557 11.821 ( -6.201 -4.903 -0.298) 7.911 11.995 ( -13.211 1.567 0.410) 13.309 12.079 ( 5.556 1.858 -3.225) 6.687 12.402 ( -4.376 -7.391 -5.673) 10.294 12.490 ( 1.447 2.942 4.098) 5.248 12.865 ( -2.552 9.407 -9.729) 13.772 12.965 ( -0.063 1.636 -10.474) 10.601 13.310 ( 4.490 -12.127 1.519) 13.020 13.535 ( 3.626 -5.344 -8.390) 10.588 13.710 ( 2.234 0.793 8.271) 8.604 14.044 ( 0.633 0.442 13.373) 13.395 14.250 ( 4.642 3.956 3.888) 7.233 14.299 ( -8.296 -3.125 -1.907) 9.068 14.738 ( -1.793 -4.999 -6.496) 8.391 14.868 ( -2.781 -3.926 -3.135) 5.743 14.910 ( 4.994 -7.200 1.328) 8.862 15.346 ( -4.098 -3.003 4.357) 6.693 15.699 ( 1.638 12.875 -5.739) 14.191 16.181 ( -2.609 4.016 0.421) 4.807 16.253 ( -6.494 -1.250 -3.046) 7.280 16.437 ( -3.148 1.686 2.142) 4.164 16.596 ( -1.386 0.419 -4.436) 4.666 16.774 ( 5.789 7.141 -4.077) 10.057 16.957 ( 5.510 2.092 6.268) 8.604 17.163 ( 2.810 -2.088 0.956) 3.629 24.805 ( 5.332 0.791 3.336) 6.339 24.847 ( 3.174 0.274 2.490) 4.043 25.053 ( -5.451 1.233 4.841) 7.394 25.366 ( 2.583 -0.637 10.970) 11.288 25.526 ( -2.451 -0.880 1.781) 3.155 25.630 ( -0.587 2.283 1.250) 2.668 25.874 ( -0.799 -5.448 5.756) 7.965 26.004 ( -1.740 -0.296 1.243) 2.159 27.269 ( -5.203 -1.201 3.460) 6.362 27.618 ( 0.702 0.883 4.581) 4.718 27.923 ( -0.590 -9.272 -7.670) 12.048 28.266 ( -1.589 -15.251 -12.571) 19.828 29.653 ( -0.523 -0.583 2.284) 2.414 30.151 ( 2.409 -2.924 -9.481) 10.210 30.607 ( -0.994 14.511 2.691) 14.792 31.012 ( 3.929 14.906 -6.283) 16.646 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -19.039 -3.036 13.503) 23.538 1.717 ( -9.475 -3.108 17.419) 20.072 1.965 ( -5.649 1.510 5.185) 7.815 2.193 ( 8.975 2.316 5.837) 10.954 2.440 ( 3.432 3.057 9.428) 10.489 2.582 ( -0.764 9.836 -1.994) 10.065 2.637 ( 0.758 7.265 -1.646) 7.488 2.845 ( -8.240 3.606 -0.313) 9.000 2.928 ( -2.866 9.379 6.018) 11.506 2.994 ( -2.259 12.172 -0.520) 12.391 3.138 ( 1.811 -2.785 -4.725) 5.776 3.171 ( 1.348 -6.643 -1.390) 6.919 3.259 ( -2.594 3.755 4.881) 6.682 3.436 ( -4.592 2.452 2.331) 5.704 3.467 ( -0.092 0.058 4.346) 4.347 3.814 ( 3.334 5.464 3.767) 7.427 3.835 ( -17.872 7.204 1.510) 19.328 4.055 ( 2.859 6.338 14.550) 16.126 4.160 ( 3.135 9.805 -1.289) 10.374 4.353 ( -0.965 -3.313 1.626) 3.815 4.412 ( 1.557 1.152 -4.469) 4.870 4.651 ( -2.461 -4.251 -4.246) 6.493 4.905 ( -0.805 -3.165 -2.929) 4.387 5.179 ( 5.651 3.499 -3.202) 7.377 5.484 ( 0.887 -8.989 2.278) 9.316 5.689 ( 1.661 -6.410 -2.653) 7.133 5.880 ( 2.101 -4.231 3.567) 5.920 5.927 ( -5.157 -1.262 5.031) 7.314 6.065 ( 2.396 3.947 -2.079) 5.064 6.092 ( 1.548 -6.333 3.867) 7.580 6.270 ( 1.913 6.714 1.718) 7.189 6.577 ( 4.370 3.995 -2.610) 6.471 6.770 ( -1.312 1.571 4.589) 5.024 7.144 ( 8.895 7.350 -0.931) 11.576 7.383 ( -2.604 -5.949 -0.848) 6.549 7.476 ( 8.610 -8.865 -5.144) 13.386 7.585 ( -4.396 0.643 -4.980) 6.674 7.695 ( -12.244 -3.026 -5.670) 13.829 7.978 ( -1.677 2.219 2.599) 3.807 8.032 ( 0.575 2.897 0.760) 3.050 8.320 ( 10.478 -0.274 2.923) 10.882 8.478 ( -2.973 0.563 -2.312) 3.808 8.538 ( -1.218 0.718 -7.028) 7.169 8.586 ( -4.335 -3.723 2.228) 6.133 8.837 ( 3.282 3.518 -2.988) 5.664 9.183 ( 0.990 4.957 5.148) 7.215 9.295 ( 4.584 2.020 -2.143) 5.449 9.470 ( -0.674 -1.243 0.071) 1.416 10.169 ( -3.689 1.720 3.503) 5.370 10.470 ( 6.753 0.426 4.816) 8.305 10.725 ( -9.373 -3.023 5.498) 11.279 10.918 ( 1.648 0.202 0.872) 1.875 11.188 ( 6.989 -0.079 -1.313) 7.111 11.272 ( 1.423 -6.951 2.068) 7.391 11.473 ( -10.449 -3.375 -7.559) 13.331 11.752 ( -10.284 3.606 -0.120) 10.899 11.940 ( 8.467 -6.919 2.159) 11.146 12.168 ( 8.662 -4.163 -7.199) 12.007 12.348 ( 0.265 -5.805 -0.457) 5.828 12.553 ( 3.266 5.652 4.075) 7.696 12.801 ( 0.307 8.595 -7.745) 11.574 12.879 ( -2.159 3.897 -12.527) 13.296 13.384 ( 3.954 -5.587 -2.099) 7.159 13.604 ( 6.109 -7.207 -0.151) 9.449 13.838 ( 4.835 -5.889 9.605) 12.260 14.074 ( -3.662 -0.608 2.575) 4.518 14.177 ( -4.276 -0.142 5.236) 6.761 14.317 ( 0.781 5.046 1.279) 5.264 14.615 ( -6.858 -14.635 -8.126) 18.090 14.808 ( 1.273 3.558 -0.195) 3.784 15.031 ( 4.589 -7.720 -1.752) 9.150 15.209 ( -9.111 1.650 0.116) 9.259 15.798 ( 8.389 11.303 -1.919) 14.206 16.102 ( -6.459 -1.606 -5.841) 8.855 16.132 ( -4.290 1.737 5.836) 7.449 16.369 ( -3.845 3.202 0.143) 5.006 16.564 ( 0.532 3.717 -4.345) 5.742 16.790 ( -0.051 6.942 -7.592) 10.288 17.055 ( 0.903 -0.341 6.559) 6.629 17.243 ( 3.685 -0.954 2.708) 4.671 24.872 ( -2.318 0.344 3.243) 4.001 24.930 ( 3.123 1.277 4.042) 5.266 24.996 ( -1.075 0.621 5.184) 5.330 25.428 ( -0.089 -1.351 -2.059) 2.464 25.538 ( 1.639 -1.880 6.699) 7.149 25.655 ( 1.359 -0.243 5.418) 5.591 25.901 ( -0.386 -5.117 8.963) 10.328 25.985 ( -0.641 -2.386 2.815) 3.745 27.221 ( -1.733 0.095 3.214) 3.653 27.634 ( -1.749 -0.110 2.547) 3.092 27.822 ( -4.563 -4.406 -11.203) 12.874 28.153 ( -2.876 -10.530 -9.666) 14.580 29.682 ( 1.763 -0.762 2.816) 3.409 30.128 ( 0.555 -2.545 -8.494) 8.885 30.621 ( 0.845 11.108 2.568) 11.432 31.043 ( 3.220 14.367 -7.299) 16.433 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -15.786 2.454 18.406) 24.372 1.524 ( -17.877 8.197 20.362) 28.309 2.015 ( 3.604 -2.003 9.609) 10.457 2.411 ( 5.004 3.905 6.812) 9.311 2.437 ( -4.016 5.204 0.608) 6.602 2.595 ( -2.292 7.561 4.232) 8.962 2.660 ( 1.855 13.555 2.045) 13.834 2.759 ( 2.167 8.279 4.919) 9.871 2.939 ( 0.217 9.655 7.370) 12.148 2.989 ( 2.870 4.117 0.300) 5.028 3.146 ( -0.493 -4.242 -1.975) 4.705 3.175 ( 2.998 -1.796 -3.234) 4.762 3.251 ( -1.323 1.444 2.369) 3.074 3.380 ( -3.178 6.514 3.771) 8.170 3.490 ( -1.959 -0.724 1.628) 2.648 3.584 ( -6.914 3.491 4.659) 9.038 3.860 ( -0.647 7.733 2.519) 8.159 4.089 ( -0.269 5.590 -3.108) 6.401 4.253 ( 2.355 5.575 10.866) 12.438 4.356 ( -0.309 1.478 2.289) 2.742 4.451 ( 6.184 -6.872 -8.188) 12.349 4.570 ( -3.261 1.388 -2.564) 4.375 4.917 ( 2.845 -3.617 -2.355) 5.170 5.302 ( 8.938 4.953 -3.290) 10.735 5.476 ( -3.151 -11.399 2.389) 12.066 5.695 ( -0.964 -7.387 -0.658) 7.478 5.869 ( -3.716 -5.383 6.784) 9.424 5.967 ( 4.488 -4.826 4.400) 7.924 6.070 ( -2.118 0.650 -0.904) 2.393 6.195 ( 7.638 -2.146 -0.906) 7.986 6.289 ( -0.188 8.528 2.973) 9.033 6.613 ( 0.755 4.318 -4.301) 6.141 6.765 ( -1.902 0.418 3.838) 4.304 7.216 ( -6.905 1.761 -4.802) 8.593 7.297 ( -1.582 2.066 1.205) 2.868 7.425 ( -5.891 1.991 -8.751) 10.736 7.506 ( -2.770 -3.126 -6.259) 7.524 7.549 ( 2.372 -8.630 -0.545) 8.967 7.983 ( 0.266 -1.870 7.263) 7.505 8.136 ( 5.791 0.096 4.290) 7.207 8.255 ( -10.636 -1.948 -8.410) 13.699 8.474 ( 2.502 0.136 -3.358) 4.190 8.518 ( 1.465 -0.417 1.585) 2.198 8.648 ( 5.381 2.815 4.254) 7.415 8.890 ( 2.736 1.414 -1.318) 3.350 9.227 ( 0.809 6.523 3.266) 7.340 9.273 ( -0.995 3.150 -13.643) 14.037 9.544 ( 5.866 -3.213 7.517) 10.062 10.149 ( -0.262 -0.597 3.655) 3.713 10.539 ( -7.235 2.675 6.908) 10.354 10.675 ( 5.917 -5.960 2.580) 8.786 10.941 ( 0.781 0.359 -0.598) 1.047 11.200 ( -8.895 -7.859 -1.285) 11.939 11.269 ( -0.774 -2.957 0.458) 3.091 11.319 ( -1.662 -1.117 -3.456) 3.994 11.642 ( -0.375 4.908 0.228) 4.927 12.018 ( -0.085 -5.104 0.038) 5.105 12.317 ( 8.550 -1.012 -8.212) 11.898 12.389 ( 4.355 -7.284 -2.315) 8.797 12.646 ( 0.121 10.781 -4.446) 11.662 12.721 ( 4.126 2.633 -1.471) 5.111 12.883 ( 7.415 2.530 -10.514) 13.112 13.462 ( 5.352 -0.525 1.253) 5.522 13.700 ( 1.573 -4.858 -0.572) 5.138 13.950 ( 2.961 -9.997 4.189) 11.236 14.003 ( -2.713 -0.403 0.776) 2.850 14.125 ( -4.499 -1.254 3.465) 5.815 14.312 ( -2.747 1.259 -2.952) 4.225 14.475 ( -3.142 -12.128 4.083) 13.177 14.884 ( 5.069 0.916 3.710) 6.348 15.014 ( -7.059 2.742 -2.912) 8.113 15.105 ( 1.227 -1.702 -1.550) 2.609 15.903 ( -4.321 0.027 -1.932) 4.733 15.972 ( 3.337 5.746 -3.646) 7.580 16.111 ( -1.789 2.601 6.971) 7.652 16.342 ( 0.955 1.479 2.057) 2.707 16.556 ( 0.760 8.571 -5.236) 10.073 16.722 ( -2.225 5.474 -7.268) 9.367 17.052 ( -4.557 -0.841 5.421) 7.131 17.297 ( 0.660 -1.334 1.106) 1.854 24.782 ( -6.980 1.098 2.857) 7.621 24.975 ( -0.113 1.721 4.345) 4.674 25.063 ( 2.703 -0.377 5.081) 5.768 25.364 ( -4.614 -3.112 -4.227) 6.988 25.598 ( 1.409 -0.275 4.189) 4.428 25.707 ( 1.629 -2.984 0.489) 3.434 25.900 ( -3.317 -1.142 4.158) 5.440 26.110 ( 8.154 -17.250 15.362) 24.496 27.238 ( 1.083 0.413 4.466) 4.614 27.518 ( -7.984 1.022 -8.126) 11.438 27.726 ( -1.695 2.355 0.833) 3.019 28.076 ( -0.810 -7.468 -6.667) 10.044 29.740 ( 3.269 1.511 1.052) 3.752 30.087 ( -0.213 -1.225 -7.658) 7.758 30.662 ( 2.462 10.453 0.983) 10.784 31.044 ( 1.187 13.928 -8.806) 16.521 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -7.410 8.803 23.136) 25.840 1.352 ( -13.598 14.298 21.529) 29.203 2.143 ( 3.649 -1.914 12.585) 13.242 2.296 ( -11.737 21.672 25.202) 35.250 2.456 ( 0.502 -1.320 -6.344) 6.500 2.676 ( 3.160 6.173 9.099) 11.440 2.702 ( 2.767 12.287 0.326) 12.598 2.876 ( 5.872 0.942 1.665) 6.176 2.994 ( 1.247 6.614 3.336) 7.512 3.096 ( 4.290 2.357 5.070) 7.048 3.155 ( -3.285 0.110 4.221) 5.349 3.184 ( 1.304 -2.933 1.245) 3.443 3.249 ( 3.568 -2.499 -2.036) 4.808 3.364 ( -0.700 5.300 3.094) 6.177 3.430 ( -1.818 3.799 2.360) 4.827 3.588 ( 0.017 -1.865 2.889) 3.438 3.872 ( 2.803 5.692 2.885) 6.970 4.040 ( -2.451 1.653 -6.420) 7.068 4.306 ( -1.360 2.470 3.909) 4.820 4.336 ( -3.357 8.011 0.807) 8.723 4.528 ( -0.627 7.458 2.646) 7.938 4.562 ( 8.007 -5.909 -5.903) 11.570 4.976 ( 5.510 -3.974 -3.953) 7.860 5.405 ( -4.592 -13.474 0.561) 14.246 5.465 ( 9.586 3.377 -1.652) 10.296 5.649 ( -2.525 -6.007 -0.162) 6.518 5.839 ( -3.387 -5.644 5.349) 8.482 5.984 ( -4.002 -0.916 -0.748) 4.173 6.094 ( 2.724 -3.976 5.910) 7.626 6.223 ( -1.634 7.345 -0.336) 7.532 6.370 ( 4.119 -1.909 -1.821) 4.891 6.556 ( -3.509 2.581 -5.104) 6.710 6.737 ( -1.261 0.873 -2.592) 3.012 7.009 ( -7.737 -0.810 -4.862) 9.173 7.213 ( -6.440 3.498 -12.122) 14.165 7.325 ( 0.469 1.006 1.118) 1.575 7.467 ( 1.069 -0.018 -1.447) 1.799 7.701 ( 9.147 -2.703 6.504) 11.544 7.917 ( -12.445 -3.127 -1.956) 12.980 8.086 ( -1.334 3.048 0.640) 3.388 8.232 ( 2.823 0.663 1.626) 3.325 8.483 ( 0.514 -4.611 1.151) 4.780 8.644 ( 8.629 1.610 2.467) 9.118 8.757 ( 4.523 1.145 5.165) 6.960 8.885 ( -2.407 -0.610 -1.873) 3.111 9.168 ( 0.357 3.431 -19.610) 19.911 9.245 ( -1.749 7.714 4.704) 9.203 9.689 ( 4.222 -7.243 2.866) 8.860 10.184 ( 0.311 -3.840 5.361) 6.601 10.441 ( -4.335 5.023 4.935) 8.269 10.794 ( 3.667 -5.683 1.269) 6.881 10.944 ( -0.454 -0.490 -2.828) 2.906 11.056 ( -2.064 -2.771 -3.637) 5.016 11.208 ( -7.693 -0.485 2.075) 7.983 11.250 ( -4.150 -7.030 2.647) 8.582 11.689 ( 4.577 3.794 -4.546) 7.484 11.989 ( -1.150 1.259 2.102) 2.707 12.336 ( -0.382 6.571 -8.961) 11.119 12.431 ( 1.155 -3.655 -0.799) 3.916 12.636 ( 5.861 1.962 -6.917) 9.276 12.887 ( 7.013 2.337 -8.021) 10.908 12.998 ( 10.989 -6.307 -3.111) 13.047 13.520 ( -1.599 -3.074 -10.132) 10.708 13.676 ( 0.116 5.697 -0.781) 5.752 13.867 ( -6.419 2.086 -0.635) 6.779 14.030 ( -2.402 -9.333 1.698) 9.785 14.136 ( -9.917 -10.862 0.190) 14.709 14.203 ( 8.414 -3.381 7.800) 11.961 14.549 ( 2.825 -8.241 8.922) 12.470 14.860 ( -5.827 2.624 -1.914) 6.672 15.024 ( 3.701 -4.252 -2.423) 6.136 15.197 ( 11.693 8.691 11.615) 18.632 15.705 ( -11.096 -3.820 -2.991) 12.110 16.102 ( 7.406 3.269 0.541) 8.113 16.155 ( 3.024 3.887 6.846) 8.433 16.397 ( 1.804 2.536 1.657) 3.526 16.520 ( -0.224 14.383 -7.491) 16.219 16.661 ( -0.918 0.790 -3.402) 3.611 16.961 ( -7.233 0.076 3.855) 8.196 17.276 ( -2.779 -2.967 -1.025) 4.193 24.684 ( -4.558 1.349 2.332) 5.295 24.959 ( -4.000 0.383 0.408) 4.039 25.120 ( 0.548 -0.092 4.752) 4.785 25.239 ( -6.414 -2.884 2.438) 7.443 25.634 ( -0.035 -0.159 3.644) 3.648 25.719 ( 0.432 -2.485 -2.301) 3.415 25.860 ( -2.646 -1.183 3.326) 4.412 26.264 ( -2.281 -24.864 5.468) 25.560 27.313 ( 3.998 -1.814 8.141) 9.250 27.432 ( 2.813 2.594 1.603) 4.148 27.735 ( 1.935 -0.071 4.257) 4.677 28.052 ( 2.028 -3.843 -5.673) 7.146 29.804 ( 3.275 2.866 -2.213) 4.882 30.047 ( 0.866 1.029 -7.658) 7.775 30.713 ( 2.910 14.227 -2.511) 14.737 30.987 ( -2.153 13.845 -8.125) 16.196 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -14.195 18.666 12.697) 26.667 1.626 ( 6.018 18.475 14.097) 24.005 2.282 ( 2.837 3.960 6.756) 8.329 2.445 ( 2.920 -1.616 -2.462) 4.147 2.546 ( -10.519 1.358 3.496) 11.167 2.782 ( 3.990 -5.109 -0.673) 6.517 2.838 ( 1.128 -1.499 1.358) 2.316 2.901 ( -3.602 -0.961 -4.044) 5.500 3.128 ( 1.926 0.735 2.837) 3.507 3.178 ( -0.334 2.852 -0.265) 2.883 3.201 ( -1.788 4.657 0.827) 5.056 3.229 ( -6.333 15.299 14.447) 21.975 3.374 ( -2.132 2.280 -1.800) 3.603 3.419 ( -1.792 -0.138 3.425) 3.868 3.527 ( 1.131 5.966 1.444) 6.241 3.699 ( 4.692 10.384 6.551) 13.144 3.910 ( -3.764 1.303 -5.441) 6.743 4.054 ( 3.982 1.783 4.557) 6.309 4.336 ( -2.628 1.562 -0.649) 3.125 4.438 ( -4.442 5.009 3.386) 7.502 4.589 ( 1.241 2.566 2.088) 3.533 4.826 ( 0.747 11.595 0.656) 11.638 4.932 ( 6.304 -6.678 -0.116) 9.184 5.058 ( 2.580 -12.195 5.311) 13.549 5.413 ( -4.414 -11.989 5.968) 14.101 5.672 ( 3.496 2.383 -2.722) 5.031 5.754 ( 2.013 1.924 -3.026) 4.112 5.963 ( 1.656 -10.444 -1.010) 10.623 5.982 ( -2.337 2.426 5.346) 6.319 6.184 ( -6.693 -1.871 -2.402) 7.353 6.387 ( -2.610 4.932 -2.162) 5.984 6.564 ( -0.089 1.793 0.030) 1.796 6.697 ( -1.327 1.304 -5.311) 5.627 6.868 ( -4.321 1.505 -12.321) 13.144 7.165 ( -4.982 -3.042 1.048) 5.930 7.267 ( 7.345 -0.341 -3.632) 8.201 7.515 ( -0.144 2.151 2.799) 3.533 7.841 ( 2.539 3.453 3.670) 5.642 8.002 ( 10.091 3.416 5.757) 12.110 8.209 ( 2.835 9.673 -1.490) 10.190 8.276 ( -1.585 -2.245 1.139) 2.975 8.339 ( 0.822 -5.127 2.032) 5.576 8.731 ( -5.051 -4.821 2.213) 7.324 8.783 ( 5.376 -2.119 -1.116) 5.885 8.896 ( 2.171 2.342 2.817) 4.258 9.147 ( -0.300 2.031 -13.271) 13.429 9.359 ( -0.676 3.449 -3.843) 5.208 9.525 ( -5.126 -4.195 -0.547) 6.646 10.162 ( -1.298 0.964 8.965) 9.109 10.528 ( 2.062 0.525 3.336) 3.957 10.673 ( -3.879 -5.624 3.070) 7.490 10.915 ( 1.792 -3.006 0.953) 3.627 11.025 ( -0.460 -1.678 -5.416) 5.689 11.043 ( -4.206 -1.605 -2.493) 5.146 11.234 ( 5.086 9.108 -3.435) 10.983 11.791 ( 1.238 1.133 -4.203) 4.526 12.080 ( 0.680 -2.049 4.011) 4.555 12.230 ( 1.773 -4.023 -5.150) 6.771 12.462 ( 0.366 -0.315 -4.486) 4.512 12.713 ( -8.214 2.472 -6.058) 10.502 12.773 ( 6.518 -8.523 -4.360) 11.581 13.029 ( -3.864 -2.858 -6.781) 8.312 13.284 ( -1.890 -4.469 -10.356) 11.437 13.572 ( -5.126 -4.227 -8.089) 10.468 13.795 ( -5.792 -3.009 8.537) 10.746 13.909 ( -0.699 0.361 8.246) 8.284 14.031 ( 5.875 3.572 4.770) 8.368 14.395 ( 6.403 -0.932 5.790) 8.683 14.513 ( 7.352 -3.717 6.409) 10.437 14.785 ( -1.328 -2.163 -3.604) 4.408 14.879 ( -7.976 1.579 0.799) 8.170 15.429 ( -7.253 -5.890 -0.227) 9.346 15.763 ( 14.095 9.218 10.000) 19.587 16.173 ( 4.874 -4.019 1.483) 6.489 16.370 ( 3.551 6.222 5.741) 9.181 16.548 ( -8.140 3.657 -2.745) 9.336 16.623 ( -2.319 1.583 -5.416) 6.101 16.677 ( 7.681 6.120 -3.428) 10.402 16.905 ( -1.546 0.695 -1.467) 2.241 17.083 ( -2.904 -7.093 -1.905) 7.898 24.694 ( -0.143 2.458 1.755) 3.024 24.823 ( -4.684 -1.231 0.213) 4.848 25.146 ( -0.643 0.868 5.154) 5.266 25.205 ( 0.191 -0.095 9.098) 9.101 25.606 ( -2.169 -1.906 3.464) 4.510 25.659 ( -0.038 -2.974 0.135) 2.977 25.798 ( -1.761 -0.454 2.584) 3.160 25.984 ( 0.157 -5.440 3.271) 6.349 27.329 ( -0.729 -2.166 5.067) 5.558 27.548 ( 1.390 -0.531 -0.720) 1.653 27.614 ( -0.351 -4.332 2.032) 4.798 28.012 ( 2.760 -6.424 -4.094) 8.102 29.802 ( -2.366 0.790 -0.478) 2.540 30.003 ( 2.175 -5.006 -2.932) 6.196 31.140 ( 2.326 15.943 -11.713) 19.919 31.184 ( 2.000 10.472 -5.542) 12.016 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -7.139 10.650 16.221) 20.676 1.847 ( 7.950 15.775 12.780) 21.803 2.258 ( -15.136 -4.572 5.757) 16.827 2.383 ( 0.510 0.926 -2.395) 2.618 2.483 ( -0.085 2.587 -0.744) 2.693 2.734 ( -8.004 4.264 0.703) 9.097 2.830 ( -2.081 -3.510 3.903) 5.646 2.881 ( 1.616 -8.132 -2.172) 8.571 3.035 ( -8.444 5.884 -3.656) 10.922 3.133 ( -2.875 1.390 -0.089) 3.195 3.182 ( 0.619 5.188 4.557) 6.933 3.275 ( -3.835 1.530 -5.456) 6.842 3.337 ( 4.944 -0.632 8.655) 9.987 3.451 ( 2.471 -3.942 -1.190) 4.802 3.570 ( 1.250 6.376 0.726) 6.538 3.736 ( -2.492 13.094 9.175) 16.182 3.912 ( 2.270 8.521 5.838) 10.576 4.158 ( 3.365 0.793 7.601) 8.350 4.319 ( 0.989 2.136 4.095) 4.723 4.341 ( -5.647 3.405 0.998) 6.670 4.633 ( 0.272 4.413 1.336) 4.619 4.812 ( -2.907 6.494 -0.410) 7.127 4.980 ( -0.466 -3.747 -3.013) 4.830 5.138 ( 3.671 -2.937 0.264) 4.709 5.344 ( -6.171 -9.754 5.322) 12.710 5.667 ( -1.139 0.371 -5.364) 5.496 5.767 ( 0.504 0.488 -1.147) 1.345 5.902 ( -2.688 -8.861 2.685) 9.641 6.077 ( 2.699 -0.331 0.193) 2.726 6.105 ( -1.167 0.967 1.663) 2.250 6.316 ( -2.711 5.955 0.204) 6.546 6.590 ( 2.266 5.675 -3.543) 7.064 6.709 ( 5.673 -5.653 0.791) 8.048 6.805 ( 5.606 0.679 -9.003) 10.627 7.046 ( -5.263 1.953 -2.989) 6.360 7.383 ( 4.145 -3.460 -3.369) 6.364 7.630 ( 9.477 2.858 9.136) 13.470 7.861 ( -2.585 2.387 0.132) 3.521 8.017 ( -4.818 6.137 -0.658) 7.830 8.228 ( -1.940 0.138 -1.634) 2.540 8.291 ( -2.740 6.583 0.578) 7.154 8.430 ( 10.226 -1.134 3.204) 10.776 8.673 ( -2.404 -4.115 -1.127) 4.897 8.775 ( -4.949 -0.058 1.781) 5.260 8.978 ( 1.848 -2.571 -5.748) 6.562 9.061 ( -0.188 5.187 -6.288) 8.153 9.351 ( 1.242 -3.342 -0.256) 3.575 9.402 ( -4.734 0.970 -4.531) 6.624 10.199 ( 0.034 2.426 9.692) 9.991 10.533 ( -3.552 6.581 1.156) 7.567 10.683 ( 1.386 -10.976 9.489) 14.575 10.894 ( -3.719 -4.051 3.076) 6.301 11.015 ( 3.642 1.091 -6.893) 7.872 11.099 ( 9.847 -0.179 -4.350) 10.766 11.289 ( 4.344 5.617 -5.533) 9.002 11.777 ( -2.006 -8.045 -2.465) 8.650 12.049 ( -2.412 -0.666 0.816) 2.632 12.216 ( -5.029 -1.149 -5.925) 7.856 12.433 ( -4.132 -4.694 -1.655) 6.469 12.522 ( -3.864 2.002 -3.750) 5.745 12.853 ( 2.840 -13.093 -1.668) 13.501 12.935 ( -1.645 -3.662 -0.823) 4.098 13.210 ( 0.171 3.654 -9.075) 9.785 13.466 ( -1.168 -2.507 -8.479) 8.919 13.747 ( -4.155 0.908 7.159) 8.327 13.943 ( -0.925 -2.577 10.176) 10.538 14.181 ( 6.560 3.483 5.262) 9.102 14.465 ( -4.279 3.795 2.030) 6.068 14.593 ( 4.570 -6.417 -2.281) 8.201 14.738 ( -3.625 -3.786 -5.484) 7.586 14.868 ( 3.135 1.208 9.369) 9.953 15.298 ( -4.210 -4.077 -1.024) 5.949 15.965 ( 1.709 9.191 2.941) 9.800 16.277 ( 2.569 0.038 -0.925) 2.731 16.343 ( -3.494 2.459 -0.120) 4.274 16.485 ( -2.192 0.948 2.291) 3.309 16.568 ( 1.766 -0.730 -2.501) 3.147 16.799 ( 5.486 4.762 -3.107) 7.901 16.915 ( 4.878 2.004 0.770) 5.330 17.061 ( 1.524 -4.324 -3.717) 5.903 24.734 ( 2.999 1.737 2.274) 4.145 24.797 ( 1.019 -0.075 1.402) 1.735 25.144 ( -2.332 2.288 4.305) 5.404 25.268 ( 0.817 -0.169 10.605) 10.638 25.568 ( -3.154 -0.655 2.001) 3.792 25.656 ( -0.407 -2.656 0.071) 2.688 25.784 ( -1.411 -0.345 3.285) 3.592 25.990 ( -0.617 -3.201 1.370) 3.536 27.305 ( -3.883 -1.854 3.425) 5.499 27.589 ( 2.997 -5.246 0.190) 6.045 27.645 ( 1.503 -5.171 3.699) 6.533 28.021 ( 1.212 -9.480 -7.171) 11.948 29.738 ( -3.870 2.865 0.320) 4.826 30.017 ( 0.884 -6.279 -2.860) 6.956 31.067 ( -1.848 17.328 -7.719) 19.060 31.234 ( 4.632 10.165 -7.342) 13.367 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.757 2.216 18.260) 18.600 1.908 ( -15.940 0.628 6.285) 17.146 2.040 ( -1.134 1.882 5.264) 5.704 2.336 ( -7.362 3.739 0.730) 8.289 2.458 ( -1.068 5.458 5.170) 7.593 2.663 ( 1.935 3.751 0.096) 4.221 2.785 ( -5.750 -6.596 1.488) 8.876 2.869 ( -1.094 0.687 -2.936) 3.208 2.934 ( 0.028 -4.897 -1.006) 4.999 3.106 ( 0.099 4.396 2.554) 5.085 3.177 ( -2.086 3.488 -6.757) 7.885 3.257 ( 4.731 4.034 3.019) 6.912 3.380 ( 0.162 5.091 -3.505) 6.183 3.509 ( 0.328 -2.170 1.468) 2.640 3.592 ( 0.445 5.186 3.532) 6.290 3.759 ( 1.337 7.425 7.253) 10.465 4.029 ( 4.791 13.147 12.894) 19.028 4.224 ( -3.430 4.289 10.948) 12.248 4.279 ( -0.742 0.787 1.173) 1.596 4.391 ( -0.414 2.850 6.061) 6.711 4.537 ( -7.837 1.351 -1.146) 8.034 4.702 ( -7.895 3.061 -4.112) 9.413 4.924 ( -2.039 1.381 -3.095) 3.956 5.209 ( 5.231 0.983 -4.486) 6.961 5.279 ( -3.277 -6.037 5.462) 8.776 5.613 ( -0.120 -2.619 -7.052) 7.524 5.748 ( -2.456 -3.881 0.004) 4.593 5.871 ( -2.321 -10.597 2.114) 11.052 6.054 ( -4.300 2.551 4.921) 7.015 6.130 ( 1.361 3.097 -0.073) 3.384 6.329 ( 2.949 5.854 3.282) 7.331 6.621 ( 4.220 7.816 -4.822) 10.107 6.863 ( 4.837 -2.482 4.686) 7.177 6.917 ( 4.357 -2.367 -0.043) 4.958 7.053 ( 14.265 -4.118 -7.464) 16.619 7.397 ( -0.431 -0.976 -1.550) 1.882 7.735 ( -5.437 -0.386 -4.681) 7.185 7.807 ( -4.817 -3.726 0.394) 6.102 7.978 ( 3.425 2.840 1.871) 4.827 8.177 ( -0.084 5.342 -2.217) 5.785 8.249 ( -2.135 7.987 3.100) 8.829 8.559 ( 0.635 -2.425 2.354) 3.439 8.597 ( -3.656 -0.264 -4.541) 5.836 8.653 ( -6.740 0.318 -1.977) 7.031 8.888 ( 0.117 1.724 -12.873) 12.989 9.138 ( 4.072 -1.065 7.075) 8.232 9.310 ( -2.409 2.440 1.560) 3.767 9.410 ( 3.733 -3.571 -4.217) 6.669 10.242 ( -2.038 2.628 9.590) 10.151 10.480 ( -1.464 5.509 0.804) 5.757 10.723 ( -5.201 -6.871 14.087) 16.513 10.873 ( 1.548 -1.429 -0.753) 2.237 11.076 ( 5.483 0.485 -5.236) 7.597 11.226 ( 5.121 6.870 -4.424) 9.644 11.428 ( 13.226 -5.335 -6.116) 15.517 11.693 ( -4.633 -6.933 -0.182) 8.341 11.979 ( -10.676 -3.276 -0.821) 11.198 12.011 ( -3.043 -5.953 -13.572) 15.130 12.318 ( -3.016 -2.170 -0.463) 3.745 12.573 ( 3.883 4.174 5.604) 7.994 12.844 ( -1.886 -13.079 -0.746) 13.235 12.962 ( 2.154 0.390 1.048) 2.427 13.209 ( 3.498 2.350 -4.121) 5.894 13.429 ( 1.532 -3.347 -7.887) 8.704 13.724 ( -1.706 0.663 5.710) 5.996 13.979 ( -1.179 -6.617 9.650) 11.760 14.275 ( -2.508 2.915 4.974) 6.287 14.377 ( 0.277 6.395 -1.402) 6.553 14.593 ( -3.702 -4.530 -7.705) 9.674 14.741 ( 4.983 -7.957 -0.151) 9.389 14.900 ( -1.086 2.949 0.808) 3.245 15.254 ( -3.711 -6.041 4.760) 8.540 15.975 ( 2.873 13.170 -3.460) 13.917 16.200 ( -5.425 -0.062 -1.274) 5.573 16.275 ( -6.509 1.406 -1.232) 6.772 16.501 ( 0.715 1.805 1.541) 2.479 16.589 ( 1.889 1.120 -3.282) 3.950 16.879 ( 4.628 1.478 -1.825) 5.190 17.026 ( 3.860 3.691 -2.274) 5.805 17.104 ( 5.167 -2.821 1.469) 6.067 24.820 ( 4.415 0.611 3.060) 5.406 24.850 ( 2.772 -0.090 3.114) 4.170 25.104 ( -4.083 3.666 3.210) 6.357 25.340 ( 0.913 -1.789 9.359) 9.572 25.519 ( -2.949 -0.036 1.447) 3.285 25.645 ( -0.879 -2.279 0.595) 2.514 25.783 ( -0.698 -1.008 4.024) 4.207 25.977 ( -1.330 -2.353 0.403) 2.733 27.254 ( -2.753 0.277 2.681) 3.852 27.637 ( 1.338 -1.165 1.586) 2.380 27.692 ( 0.889 -9.317 3.721) 10.071 27.980 ( -0.465 -10.970 -10.071) 14.899 29.687 ( -1.797 3.257 1.756) 4.113 30.007 ( -0.037 -7.174 -3.202) 7.856 31.009 ( -0.643 18.154 -5.393) 18.949 31.268 ( 3.457 8.972 -7.755) 12.352 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -10.617 4.133 14.577) 18.501 1.678 ( -2.580 -0.457 13.194) 13.452 2.042 ( -5.241 4.364 7.255) 9.957 2.249 ( 2.242 2.989 2.872) 4.713 2.504 ( -0.304 1.267 5.714) 5.861 2.683 ( -1.586 -0.717 -0.643) 1.855 2.751 ( 5.903 1.833 0.335) 6.190 2.858 ( 1.843 2.971 -1.934) 3.996 2.969 ( 4.068 -3.338 -4.186) 6.724 3.128 ( -0.041 6.830 -0.526) 6.850 3.168 ( 1.960 3.102 4.432) 5.754 3.334 ( -2.220 2.349 -0.236) 3.240 3.366 ( 2.367 12.612 -3.860) 13.400 3.466 ( -2.174 3.578 -0.057) 4.187 3.613 ( -0.449 10.217 5.475) 11.601 3.884 ( 6.881 0.556 2.641) 7.391 4.075 ( -17.153 15.019 7.839) 24.109 4.140 ( -4.029 0.055 4.115) 5.760 4.254 ( -0.323 2.204 13.138) 13.326 4.337 ( 0.518 0.551 -4.072) 4.142 4.504 ( -7.124 7.114 -3.038) 10.517 4.561 ( 1.518 -5.205 6.344) 8.345 4.889 ( -0.731 4.665 -1.252) 4.885 5.249 ( -0.797 -12.103 -2.118) 12.313 5.307 ( 5.992 7.205 -0.668) 9.394 5.600 ( 2.305 -2.644 -6.280) 7.193 5.682 ( -5.339 -10.211 3.950) 12.181 5.846 ( -1.468 -8.430 2.511) 8.917 6.030 ( -0.781 1.312 5.152) 5.374 6.145 ( 1.907 2.165 -2.381) 3.741 6.419 ( 3.377 6.944 4.489) 8.932 6.679 ( 3.466 6.725 -2.397) 7.936 6.877 ( -2.256 6.262 1.721) 6.875 7.055 ( 7.995 -11.732 3.039) 14.519 7.287 ( 6.806 -9.005 -4.762) 12.251 7.403 ( 3.799 1.917 -1.377) 4.473 7.570 ( -8.449 -4.816 -6.177) 11.521 7.620 ( -8.785 3.061 -5.447) 10.780 7.989 ( -1.386 -1.892 1.819) 2.968 8.093 ( -7.055 2.756 -5.055) 9.106 8.347 ( 3.244 2.772 -0.338) 4.280 8.484 ( -1.126 -3.602 -1.778) 4.172 8.525 ( -1.872 1.505 -3.766) 4.467 8.621 ( 2.348 7.015 4.256) 8.534 8.888 ( 3.619 1.102 -5.527) 6.698 9.258 ( 3.852 -3.167 9.267) 10.524 9.307 ( 1.000 3.068 0.241) 3.236 9.432 ( 1.593 -1.842 -5.245) 5.782 10.214 ( -4.792 2.770 6.045) 8.196 10.499 ( 1.085 0.327 5.527) 5.642 10.665 ( -6.265 -0.826 8.593) 10.667 10.916 ( 2.469 -0.166 -0.735) 2.582 11.131 ( 1.841 -1.323 -1.842) 2.921 11.267 ( 0.917 3.539 -4.689) 5.946 11.442 ( -4.420 0.296 -9.185) 10.197 11.734 ( -6.229 -6.107 -0.222) 8.726 11.822 ( 11.068 -4.240 -0.746) 11.876 11.985 ( 4.263 -9.394 -8.585) 13.421 12.317 ( 1.436 0.846 3.419) 3.804 12.682 ( 5.361 6.898 4.071) 9.639 12.820 ( 0.905 -8.529 -3.811) 9.385 12.957 ( -1.994 4.161 -4.434) 6.400 13.285 ( 4.600 -4.158 1.958) 6.502 13.443 ( 3.543 -6.910 -2.763) 8.242 13.750 ( 1.046 -1.440 6.204) 6.454 13.983 ( -2.643 -7.695 4.548) 9.321 14.218 ( -4.240 4.548 5.633) 8.390 14.392 ( -0.860 1.327 -2.604) 3.046 14.452 ( -5.867 -0.646 -10.040) 11.646 14.797 ( 0.972 -9.098 -1.039) 9.208 14.925 ( 4.136 2.944 2.389) 5.611 15.193 ( -4.508 -2.558 3.551) 6.283 16.023 ( -0.291 6.223 -3.771) 7.282 16.090 ( -3.455 2.219 -4.639) 6.195 16.177 ( -2.127 3.679 5.139) 6.668 16.465 ( -2.879 3.248 -1.660) 4.647 16.628 ( 3.092 4.832 -2.894) 6.426 16.906 ( 0.758 2.063 -7.284) 7.609 17.054 ( -0.360 0.402 2.931) 2.980 17.212 ( 3.969 -1.926 1.498) 4.659 24.880 ( -1.380 0.435 4.062) 4.312 24.937 ( 4.130 -0.683 5.027) 6.541 25.044 ( -2.930 3.866 2.348) 5.389 25.364 ( -2.739 -4.864 0.721) 5.628 25.502 ( 0.097 -0.652 6.143) 6.178 25.635 ( -0.737 -2.528 1.829) 3.206 25.801 ( -0.079 -1.829 5.188) 5.502 25.947 ( -1.956 -2.121 0.049) 2.886 27.243 ( -0.193 2.482 3.386) 4.203 27.643 ( -1.726 0.616 -0.129) 1.837 27.705 ( -1.393 -6.688 3.284) 7.579 27.923 ( 0.742 -9.951 -8.961) 13.412 29.695 ( 1.363 2.017 2.429) 3.439 29.988 ( 0.116 -7.217 -3.691) 8.107 30.988 ( 1.247 17.861 -4.505) 18.462 31.283 ( 2.844 8.092 -8.470) 12.054 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -6.511 12.014 15.683) 20.801 1.728 ( -5.350 10.503 21.453) 24.478 2.038 ( 2.848 2.595 6.903) 7.905 2.351 ( 2.897 -3.841 -0.085) 4.812 2.541 ( 6.573 0.967 1.511) 6.813 2.731 ( 3.281 -0.164 2.076) 3.886 2.843 ( -1.807 6.736 -3.073) 7.621 2.924 ( 9.233 2.584 4.792) 10.719 3.021 ( 2.723 4.714 -4.032) 6.774 3.124 ( 0.050 0.911 -0.127) 0.921 3.191 ( -2.506 10.992 0.191) 11.276 3.226 ( -4.423 0.278 -1.319) 4.624 3.367 ( -1.570 16.856 1.254) 16.975 3.465 ( 2.427 0.016 0.350) 2.452 3.623 ( -3.687 12.369 3.140) 13.283 3.748 ( -13.887 11.445 8.986) 20.115 4.016 ( -3.442 4.296 5.968) 8.120 4.121 ( 1.673 0.225 -3.048) 3.484 4.252 ( 1.907 -7.693 -6.814) 10.452 4.366 ( 2.528 4.964 9.674) 11.163 4.458 ( 0.294 5.299 4.909) 7.230 4.653 ( 4.711 -2.562 4.254) 6.845 4.870 ( -1.689 5.716 1.058) 6.053 5.170 ( -6.292 -16.729 -0.937) 17.898 5.442 ( 8.786 7.635 -4.429) 12.454 5.565 ( -4.834 -5.263 0.937) 7.207 5.668 ( 2.408 -9.194 2.438) 9.812 5.850 ( 0.350 -6.393 3.135) 7.128 6.047 ( -0.738 -0.477 2.810) 2.945 6.218 ( 7.604 0.467 -1.529) 7.770 6.469 ( -1.389 7.666 4.037) 8.775 6.720 ( 2.447 5.314 -2.667) 6.430 6.795 ( -6.515 2.198 -2.064) 7.178 7.166 ( -4.479 -6.765 0.096) 8.114 7.255 ( -5.631 -7.035 -3.776) 9.770 7.316 ( 2.106 -7.235 -2.673) 7.996 7.497 ( -2.485 1.978 -4.367) 5.400 7.560 ( 3.386 7.267 -2.812) 8.496 7.928 ( -4.643 -3.709 2.111) 6.306 8.061 ( 4.585 -5.308 1.299) 7.133 8.269 ( -3.808 2.936 -6.168) 7.821 8.438 ( -3.796 -2.400 -0.972) 4.595 8.565 ( 5.152 3.369 -3.151) 6.915 8.745 ( 4.288 5.325 8.458) 10.876 8.915 ( 1.491 0.882 -4.356) 4.688 9.280 ( -1.415 -2.298 -4.727) 5.443 9.367 ( 1.461 4.716 3.244) 5.907 9.474 ( 5.255 -2.353 0.629) 5.792 10.159 ( -3.699 1.979 5.217) 6.694 10.532 ( -3.286 -6.092 8.359) 10.853 10.635 ( 0.945 4.791 4.087) 6.368 10.940 ( 0.875 -0.683 -2.294) 2.548 11.098 ( -4.020 0.006 -1.108) 4.170 11.218 ( -1.371 -1.228 -4.281) 4.660 11.314 ( -5.476 -0.350 -6.729) 8.682 11.706 ( 3.723 -0.465 0.908) 3.861 11.938 ( 1.119 -2.445 -0.431) 2.723 12.124 ( 12.923 -10.428 -8.734) 18.762 12.385 ( 3.632 2.916 2.024) 5.079 12.793 ( -1.474 -1.110 -7.697) 7.915 12.838 ( 9.037 5.783 0.036) 10.729 12.891 ( 0.068 4.181 -5.061) 6.565 13.374 ( 3.366 -8.855 0.589) 9.491 13.534 ( 5.683 -10.326 4.638) 12.667 13.815 ( 2.054 -1.156 5.630) 6.104 13.947 ( -2.942 -6.984 2.800) 8.079 14.130 ( -7.745 2.297 -2.021) 8.327 14.266 ( -6.944 1.956 -6.195) 9.509 14.381 ( -0.100 -1.606 3.303) 3.674 14.805 ( 1.734 -8.653 -1.866) 9.020 15.042 ( 2.786 3.064 5.191) 6.640 15.147 ( 0.621 2.787 1.644) 3.295 15.887 ( -9.623 0.148 -0.956) 9.671 16.044 ( 0.075 -1.196 -1.182) 1.683 16.244 ( 2.467 9.147 4.168) 10.350 16.432 ( 1.987 5.784 -1.980) 6.428 16.657 ( 1.899 4.400 -3.704) 6.057 16.853 ( -1.566 3.961 -8.626) 9.621 17.030 ( -4.363 -1.059 4.033) 6.035 17.244 ( -1.122 -3.953 -0.087) 4.110 24.817 ( -6.205 2.229 3.006) 7.246 25.010 ( -0.570 0.401 4.483) 4.537 25.054 ( 1.965 0.234 4.801) 5.193 25.262 ( -6.314 -6.171 -2.640) 9.215 25.560 ( 1.192 -2.498 6.998) 7.526 25.642 ( 0.394 -3.056 1.647) 3.494 25.829 ( -0.657 -3.011 5.910) 6.665 25.918 ( -0.746 -2.830 1.232) 3.175 27.271 ( 0.597 3.069 4.335) 5.345 27.578 ( -2.992 4.113 -3.458) 6.150 27.684 ( -2.618 -5.779 2.981) 7.010 27.926 ( 3.057 -6.599 -4.442) 8.522 29.752 ( 3.178 0.642 1.818) 3.717 29.976 ( 0.840 -6.267 -3.921) 7.440 31.010 ( 3.878 16.920 -4.921) 18.043 31.280 ( 1.858 8.040 -9.660) 12.705 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.015 17.118 14.435) 22.392 1.719 ( -9.253 19.434 18.502) 28.384 2.165 ( 5.339 2.944 7.273) 9.490 2.393 ( 3.567 -5.037 -2.224) 6.560 2.667 ( -1.132 5.458 3.698) 6.690 2.728 ( -1.684 -0.343 -1.416) 2.226 2.786 ( 2.230 0.094 0.756) 2.356 2.981 ( -2.276 1.557 -5.399) 6.063 3.090 ( 0.900 1.656 2.622) 3.229 3.136 ( 1.644 1.727 2.604) 3.531 3.200 ( 2.125 9.686 0.908) 9.958 3.249 ( 7.582 2.835 3.970) 9.016 3.322 ( -5.611 17.511 6.387) 19.466 3.516 ( -6.549 6.135 0.998) 9.029 3.552 ( 4.489 0.892 2.907) 5.422 3.600 ( -7.300 9.838 6.688) 13.957 3.992 ( 0.063 5.161 1.838) 5.479 4.032 ( -4.301 1.029 -7.584) 8.780 4.354 ( 3.154 -3.621 -0.693) 4.851 4.442 ( 0.102 5.838 8.236) 10.096 4.528 ( 5.077 4.048 1.873) 6.758 4.783 ( 7.932 -3.614 1.267) 8.808 4.834 ( -2.575 7.133 1.569) 7.744 5.052 ( -5.287 -18.429 3.605) 19.509 5.469 ( -5.086 -10.397 4.922) 12.577 5.583 ( 7.510 5.716 -5.480) 10.914 5.724 ( 2.267 -2.389 0.075) 3.294 5.891 ( 2.422 -6.146 2.177) 6.956 6.038 ( -2.327 -0.768 4.417) 5.051 6.322 ( -1.195 -3.117 -3.045) 4.519 6.409 ( -2.175 7.019 0.144) 7.349 6.642 ( -6.558 2.050 -3.929) 7.915 6.738 ( 0.476 2.895 -3.758) 4.768 6.996 ( -5.096 0.006 -4.545) 6.828 7.220 ( -0.923 -1.931 -7.991) 8.273 7.268 ( -4.214 -7.650 -2.639) 9.124 7.494 ( 2.639 2.508 1.813) 4.067 7.705 ( 10.726 1.769 7.099) 12.984 7.857 ( -3.197 0.222 0.377) 3.227 8.185 ( 5.480 -2.386 5.221) 7.936 8.215 ( 0.669 4.144 -2.360) 4.815 8.370 ( -3.145 -4.327 -0.503) 5.372 8.656 ( 6.950 0.447 -2.807) 7.509 8.801 ( -2.879 -0.062 6.171) 6.810 8.895 ( -0.721 2.921 -2.945) 4.210 9.215 ( -0.747 0.085 -10.000) 10.028 9.383 ( -0.055 4.983 -1.049) 5.092 9.558 ( 1.391 -4.218 2.039) 4.887 10.145 ( -1.563 0.497 7.054) 7.242 10.502 ( -2.042 -1.536 4.717) 5.365 10.694 ( 0.714 -1.489 4.568) 4.857 10.912 ( -1.400 -2.095 -3.696) 4.473 11.054 ( 0.655 1.109 -3.657) 3.877 11.174 ( -6.090 -2.916 -0.682) 6.786 11.185 ( -1.032 2.662 -2.070) 3.527 11.785 ( 3.494 4.790 -5.169) 7.865 11.974 ( 4.272 -3.276 2.988) 6.157 12.249 ( 4.543 -8.619 -9.692) 13.743 12.449 ( 3.026 2.320 -2.294) 4.449 12.718 ( 1.090 -0.032 -7.641) 7.718 12.844 ( -2.777 1.449 -4.729) 5.672 13.025 ( 7.936 4.548 -2.816) 9.571 13.371 ( -1.436 -10.361 -7.605) 12.933 13.661 ( 1.627 -9.883 1.221) 10.090 13.873 ( 0.903 -0.640 5.742) 5.847 13.885 ( -6.486 -10.151 5.651) 13.305 13.971 ( -3.979 6.203 -2.035) 7.645 14.218 ( 5.094 4.340 3.150) 7.397 14.414 ( 0.085 -4.861 7.085) 8.593 14.829 ( 0.662 -7.924 -3.518) 8.695 15.005 ( -4.898 4.866 -0.344) 6.913 15.321 ( 11.694 1.358 10.662) 15.883 15.700 ( -8.997 3.692 -0.469) 9.737 16.083 ( 3.168 -4.635 3.083) 6.404 16.286 ( 1.747 8.506 3.524) 9.372 16.524 ( 7.194 7.237 -1.429) 10.304 16.659 ( 0.510 2.594 -4.221) 4.981 16.749 ( -5.577 4.765 -7.376) 10.402 16.956 ( -4.124 -0.633 1.303) 4.371 17.177 ( -5.204 -6.445 -0.917) 8.334 24.726 ( -4.270 2.666 1.989) 5.412 24.948 ( -7.152 -2.013 0.104) 7.430 25.114 ( 0.935 -0.296 5.649) 5.734 25.178 ( -2.013 -2.204 4.555) 5.445 25.603 ( -0.221 -2.646 5.506) 6.113 25.656 ( 0.373 -3.198 0.249) 3.229 25.821 ( -2.157 -1.465 2.828) 3.847 25.947 ( 1.245 -6.350 4.729) 8.015 27.301 ( 0.196 1.187 4.738) 4.888 27.536 ( 0.196 5.813 -1.759) 6.077 27.642 ( -3.023 -6.528 1.702) 7.392 27.971 ( 3.465 -4.803 -2.778) 6.542 29.810 ( 1.706 -0.257 0.393) 1.770 29.980 ( 1.804 -4.868 -3.553) 6.290 31.076 ( 6.378 15.466 -6.821) 18.066 31.242 ( -0.308 9.577 -10.106) 13.927 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -15.935 20.213 5.549) 26.331 2.001 ( 6.928 16.698 8.161) 19.835 2.292 ( 0.971 -10.084 3.750) 10.803 2.341 ( -4.469 -11.346 8.635) 14.942 2.474 ( -2.326 3.164 -7.512) 8.476 2.629 ( 4.002 -8.352 -1.261) 9.346 2.808 ( 1.853 0.882 -5.440) 5.815 2.859 ( -0.267 -2.895 -5.553) 6.268 3.181 ( -3.136 4.019 2.316) 5.600 3.220 ( -4.407 2.783 2.004) 5.584 3.279 ( -2.696 -0.241 -0.418) 2.739 3.311 ( -0.261 -4.533 -1.589) 4.811 3.449 ( -7.695 3.350 3.673) 9.161 3.464 ( -9.038 1.949 0.997) 9.299 3.708 ( 4.660 11.210 -3.760) 12.709 3.911 ( 2.116 -5.525 -10.737) 12.259 4.065 ( 6.316 21.131 7.830) 23.404 4.173 ( -4.877 9.719 10.657) 15.225 4.283 ( -6.523 -3.125 7.628) 10.512 4.462 ( 0.235 -10.057 4.515) 11.026 4.612 ( 1.831 1.296 5.410) 5.856 4.736 ( 3.794 -6.346 9.645) 12.153 4.855 ( 5.451 -0.557 7.726) 9.472 4.997 ( 4.573 -9.251 6.346) 12.115 5.330 ( -3.478 12.495 -1.094) 13.016 5.639 ( 1.218 -12.861 -2.468) 13.152 5.800 ( -1.329 2.222 -4.601) 5.279 5.820 ( 2.270 1.505 -6.359) 6.917 6.047 ( -0.267 3.526 2.782) 4.500 6.128 ( -3.729 -3.656 -1.822) 5.531 6.460 ( -2.722 2.284 2.997) 4.648 6.512 ( -1.206 -3.358 3.502) 4.999 6.807 ( -4.489 5.915 -6.566) 9.912 6.883 ( -4.773 -1.025 -11.308) 12.317 7.143 ( 2.453 1.287 0.821) 2.889 7.211 ( 6.192 -4.234 -3.016) 8.085 7.625 ( 1.720 8.030 4.383) 9.309 7.805 ( 4.423 -7.302 8.021) 11.714 8.076 ( 6.824 4.890 1.369) 8.507 8.207 ( 6.119 -6.473 3.206) 9.467 8.311 ( -1.509 5.927 1.351) 6.264 8.390 ( 4.182 2.805 2.744) 5.734 8.641 ( -3.506 -0.969 -2.927) 4.669 8.714 ( 5.411 -4.595 -4.386) 8.345 8.984 ( -2.925 5.664 2.711) 6.928 9.109 ( -3.307 -5.199 0.252) 6.167 9.418 ( -1.728 2.428 -9.243) 9.712 9.464 ( -1.641 -2.101 -6.957) 7.450 10.232 ( -0.448 5.626 8.953) 10.584 10.388 ( 0.595 -8.951 6.859) 11.292 10.718 ( -3.597 5.591 1.182) 6.752 10.831 ( -1.718 -4.745 0.315) 5.056 10.992 ( 1.200 -0.686 -5.382) 5.556 11.006 ( 0.363 -1.818 -3.953) 4.366 11.514 ( 4.686 15.555 -4.924) 16.976 11.789 ( -2.055 -6.742 -8.771) 11.252 11.995 ( 4.066 0.901 -0.623) 4.211 12.131 ( 5.282 -7.480 -0.777) 9.190 12.444 ( -6.227 1.657 -6.797) 9.366 12.554 ( -5.383 -7.673 -4.959) 10.604 12.843 ( -5.555 4.858 -3.500) 8.168 12.946 ( -5.272 -4.706 -4.250) 8.247 13.275 ( 2.202 4.603 -3.449) 6.159 13.431 ( -0.456 -8.634 -2.296) 8.946 13.793 ( -2.196 3.199 7.759) 8.675 13.876 ( -1.707 -3.457 6.528) 7.581 14.165 ( 5.256 7.422 3.042) 9.590 14.308 ( 4.532 -6.044 4.143) 8.616 14.543 ( 6.426 4.571 2.550) 8.288 14.663 ( 1.915 -6.589 -2.375) 7.261 15.040 ( -6.824 10.249 1.584) 12.414 15.256 ( -5.199 -9.798 2.096) 11.289 15.946 ( 9.866 7.366 8.092) 14.734 16.074 ( 6.867 -5.270 6.113) 10.597 16.520 ( 3.090 6.480 -0.812) 7.225 16.595 ( -4.075 -0.256 -2.430) 4.751 16.635 ( -8.652 3.542 -3.578) 10.010 16.774 ( 0.422 -2.779 -5.025) 5.758 16.877 ( 0.434 0.764 -1.805) 2.008 16.955 ( 1.895 -4.366 -1.638) 5.033 24.747 ( -1.111 2.405 1.702) 3.149 24.792 ( -2.861 -1.839 1.384) 3.672 25.171 ( 0.732 1.414 5.666) 5.885 25.196 ( 1.090 -0.846 7.031) 7.165 25.575 ( -1.471 -0.387 3.834) 4.125 25.597 ( -1.017 -2.369 2.134) 3.347 25.827 ( -0.008 2.585 0.615) 2.657 25.893 ( 1.035 -3.624 1.176) 3.948 27.332 ( -2.076 2.378 1.619) 3.547 27.421 ( -2.581 -5.977 -0.748) 6.553 27.705 ( 0.624 6.941 -0.117) 6.970 27.861 ( 0.657 -7.709 -2.317) 8.076 29.838 ( -0.896 2.577 1.163) 2.966 29.907 ( 0.328 -3.988 0.448) 4.027 31.344 ( 3.087 4.333 -7.346) 9.070 31.347 ( 2.355 4.371 -9.731) 10.924 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -13.773 15.944 5.960) 21.896 2.029 ( -17.231 -15.041 1.110) 22.899 2.171 ( 4.765 14.442 7.685) 17.039 2.417 ( 2.593 -7.174 0.238) 7.632 2.500 ( 0.995 6.268 2.921) 6.987 2.672 ( -1.447 -9.122 -0.298) 9.240 2.779 ( -2.029 1.731 -2.243) 3.485 2.823 ( -2.498 -0.589 -0.857) 2.706 3.092 ( -4.266 2.148 0.342) 4.788 3.165 ( -1.089 1.941 -1.067) 2.468 3.178 ( -5.721 -2.313 0.909) 6.238 3.275 ( -3.020 -4.506 2.137) 5.830 3.366 ( 0.834 3.930 -3.354) 5.233 3.417 ( 2.407 -0.917 -3.755) 4.553 3.741 ( 0.451 9.635 -2.961) 10.090 3.895 ( 0.456 -1.831 -5.363) 5.685 4.173 ( 1.219 4.718 8.589) 9.875 4.237 ( -2.799 -3.166 11.364) 12.124 4.245 ( 2.742 15.292 15.796) 22.156 4.453 ( -2.798 0.858 5.068) 5.852 4.683 ( 1.145 2.349 1.613) 3.071 4.812 ( -0.606 -5.568 4.488) 7.177 4.948 ( 1.273 0.081 4.365) 4.548 5.052 ( -2.055 -10.343 5.381) 11.839 5.305 ( 1.405 12.919 -0.429) 13.002 5.619 ( -1.542 -14.450 -1.161) 14.579 5.722 ( -3.558 3.165 -6.251) 7.858 5.784 ( -1.707 -1.513 -7.582) 7.918 6.110 ( 4.078 2.388 2.536) 5.364 6.134 ( 2.978 0.572 2.048) 3.660 6.419 ( -3.350 4.177 5.171) 7.444 6.526 ( 0.157 -6.873 5.541) 8.830 6.737 ( 1.886 5.235 -7.013) 8.953 6.807 ( 4.004 -1.350 -9.757) 10.633 7.160 ( -0.179 6.786 -2.300) 7.167 7.292 ( 3.843 -5.492 -2.954) 7.325 7.710 ( 3.555 5.154 6.456) 8.993 7.828 ( -4.340 -4.982 1.059) 6.691 8.141 ( -1.833 5.990 -0.294) 6.271 8.270 ( 0.441 -5.238 2.912) 6.009 8.310 ( 0.675 6.970 1.500) 7.161 8.470 ( 2.053 -4.273 5.606) 7.342 8.632 ( 2.874 6.153 -4.606) 8.206 8.763 ( -0.394 -3.150 -2.625) 4.120 8.950 ( -0.770 1.585 -3.162) 3.620 9.050 ( -1.911 -5.920 -2.380) 6.661 9.336 ( -0.796 2.641 -5.294) 5.970 9.394 ( -1.809 -1.878 -5.093) 5.722 10.288 ( 0.283 6.048 11.419) 12.925 10.452 ( -0.274 -9.532 11.205) 14.713 10.679 ( 0.006 6.382 -0.005) 6.382 10.799 ( -0.891 -5.025 -0.150) 5.106 11.049 ( 7.306 1.260 -7.016) 10.207 11.069 ( 9.603 -1.235 -5.385) 11.079 11.487 ( -2.339 9.636 -7.240) 12.278 11.640 ( -6.248 -5.573 -7.572) 11.288 12.054 ( -0.895 4.228 2.369) 4.928 12.219 ( -11.781 -0.404 -11.406) 16.402 12.273 ( 4.160 -7.664 4.420) 9.776 12.385 ( -4.036 -10.939 -7.148) 13.676 12.774 ( -2.248 4.456 3.441) 6.062 12.878 ( -1.266 -3.943 3.507) 5.427 13.290 ( 1.741 5.313 -5.616) 7.925 13.406 ( 0.167 -4.538 -5.333) 7.004 13.775 ( -3.504 2.608 6.918) 8.182 13.857 ( -3.709 -4.740 7.496) 9.613 14.288 ( 5.341 6.319 2.824) 8.743 14.424 ( 5.025 -6.314 3.042) 8.624 14.598 ( -0.551 4.190 -4.139) 5.916 14.671 ( -0.232 -3.013 -4.628) 5.527 14.969 ( -2.287 7.838 6.316) 10.323 15.154 ( -5.440 -8.817 2.052) 10.562 16.145 ( 5.874 6.940 3.807) 9.857 16.245 ( 6.313 -2.923 3.091) 7.613 16.418 ( -7.813 3.809 -1.737) 8.864 16.477 ( -6.654 -1.730 -1.078) 6.959 16.602 ( 3.834 5.035 -1.302) 6.461 16.759 ( 2.196 -7.715 -2.294) 8.343 16.964 ( 7.435 3.020 -2.061) 8.285 17.010 ( 4.765 -1.411 -3.865) 6.296 24.767 ( 1.929 1.347 2.145) 3.184 24.789 ( 1.324 -0.727 1.944) 2.462 25.203 ( -0.389 3.047 4.730) 5.640 25.253 ( 0.707 -1.488 7.330) 7.513 25.556 ( -2.381 -0.076 2.906) 3.758 25.583 ( -1.672 -2.845 2.402) 4.082 25.829 ( -0.102 3.519 0.305) 3.534 25.912 ( 0.349 -4.098 0.474) 4.140 27.305 ( -1.739 2.142 1.845) 3.319 27.400 ( 0.545 -7.090 0.925) 7.171 27.710 ( -0.092 5.324 0.405) 5.340 27.845 ( -0.708 -7.483 -3.366) 8.236 29.810 ( -2.495 3.955 1.243) 4.839 29.901 ( -1.105 -4.827 0.394) 4.968 31.320 ( 0.822 6.979 -8.308) 10.881 31.367 ( 3.045 2.266 -8.173) 9.011 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -2.761 8.180 10.969) 13.958 1.780 ( -11.046 -9.604 5.810) 15.748 2.194 ( -4.410 10.244 3.945) 11.830 2.377 ( -6.684 -3.538 2.914) 8.105 2.512 ( -1.194 1.534 2.323) 3.029 2.600 ( -4.690 -6.397 -0.172) 7.934 2.770 ( -1.282 3.820 3.922) 5.623 2.801 ( 3.741 -1.288 3.629) 5.369 3.033 ( -4.523 6.374 -1.135) 7.898 3.098 ( 2.295 -1.534 0.941) 2.916 3.239 ( 5.143 -2.139 -0.244) 5.576 3.262 ( 1.273 -1.368 -0.909) 2.078 3.445 ( 7.288 0.409 -1.189) 7.395 3.459 ( 5.658 0.419 -6.889) 8.924 3.724 ( -0.942 8.173 1.511) 8.365 3.865 ( -0.894 -1.826 -2.928) 3.565 4.213 ( -4.997 -0.617 6.763) 8.431 4.248 ( 0.980 -0.548 5.496) 5.610 4.369 ( -0.694 10.140 15.822) 18.805 4.438 ( -3.075 1.742 10.002) 10.608 4.620 ( -7.043 8.367 0.127) 10.937 4.769 ( -4.326 1.104 0.627) 4.509 4.972 ( -0.169 -0.520 2.197) 2.265 5.031 ( -2.760 -10.149 3.969) 11.242 5.353 ( 3.724 8.633 -0.963) 9.451 5.586 ( -0.718 -6.021 -5.492) 8.181 5.629 ( -2.894 -3.783 -0.363) 4.777 5.698 ( -3.040 -2.911 -5.605) 7.010 6.131 ( -3.408 3.657 1.804) 5.315 6.170 ( -0.380 0.286 -0.554) 0.730 6.449 ( 3.589 6.190 6.840) 9.898 6.624 ( 6.429 -11.091 5.451) 13.930 6.794 ( 7.014 7.645 -6.411) 12.196 6.919 ( 11.424 -4.073 -6.020) 13.540 7.120 ( -2.681 8.952 -1.600) 9.481 7.313 ( -0.497 -7.846 -1.285) 7.966 7.705 ( -6.238 0.851 -4.220) 7.579 7.756 ( -1.537 -2.674 -0.098) 3.086 8.082 ( -4.426 6.666 0.680) 8.030 8.217 ( -3.711 -4.349 -1.656) 5.952 8.378 ( 1.324 6.361 3.965) 7.611 8.512 ( -0.683 -5.728 -1.024) 5.858 8.609 ( -1.522 6.843 -2.410) 7.413 8.701 ( -2.262 0.044 -1.182) 2.553 8.909 ( 0.898 2.439 -9.280) 9.637 9.035 ( 1.237 -7.745 1.284) 7.947 9.344 ( 0.895 1.464 1.494) 2.275 9.370 ( 2.215 -0.879 -3.386) 4.140 10.328 ( -3.585 5.459 12.491) 14.095 10.460 ( -5.260 -6.497 12.505) 15.042 10.711 ( 1.884 5.191 1.304) 5.674 10.819 ( 3.173 -4.132 -1.291) 5.367 11.156 ( 7.849 6.250 -10.036) 14.191 11.275 ( 14.485 -3.938 -8.110) 17.062 11.434 ( 0.477 5.527 -2.841) 6.233 11.550 ( -0.134 -6.175 0.436) 6.191 11.905 ( -10.336 -1.919 -5.696) 11.956 11.917 ( -12.216 -2.506 -13.199) 18.158 12.299 ( 1.786 1.940 3.213) 4.156 12.458 ( 4.925 -12.495 6.008) 14.713 12.780 ( 0.100 6.758 6.343) 9.269 12.922 ( 2.037 -5.171 7.078) 9.000 13.270 ( -0.417 4.456 -6.932) 8.251 13.372 ( -0.484 -3.843 -7.677) 8.599 13.753 ( -2.155 2.453 6.000) 6.831 13.836 ( -2.626 -5.706 7.695) 9.933 14.374 ( 1.666 5.669 3.358) 6.796 14.492 ( -0.419 -3.100 -0.726) 3.211 14.524 ( -1.117 3.704 -8.466) 9.308 14.619 ( -1.570 -3.889 -5.348) 6.796 14.974 ( -0.481 4.644 3.809) 6.026 15.105 ( -2.169 -7.443 5.193) 9.331 16.196 ( -3.211 4.568 -2.583) 6.152 16.214 ( -3.888 1.187 -2.102) 4.576 16.314 ( -3.036 5.276 0.885) 6.151 16.455 ( 1.478 -5.300 0.758) 5.554 16.680 ( 5.271 6.333 -1.225) 8.330 16.823 ( 4.435 -6.255 -1.346) 7.785 17.067 ( 3.171 1.307 -2.749) 4.396 17.088 ( 6.197 -0.051 -1.767) 6.444 24.831 ( 3.254 0.529 3.082) 4.513 24.843 ( 2.535 -0.534 3.265) 4.168 25.198 ( -2.600 4.877 2.804) 6.197 25.288 ( -1.075 -3.424 5.316) 6.414 25.523 ( -2.431 0.799 2.729) 3.741 25.567 ( -1.506 -3.469 3.072) 4.872 25.826 ( -0.315 3.651 0.161) 3.668 25.909 ( -0.626 -3.922 -0.309) 3.983 27.301 ( 0.126 4.477 3.002) 5.392 27.444 ( 2.488 -9.207 3.611) 10.198 27.706 ( -0.520 3.401 0.401) 3.464 27.804 ( -1.190 -6.206 -4.434) 7.720 29.772 ( -2.002 4.658 1.451) 5.274 29.877 ( -1.413 -5.433 0.126) 5.616 31.292 ( 0.963 8.654 -7.897) 11.755 31.373 ( 2.313 0.809 -8.214) 8.571 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.694 3.109 13.287) 13.664 1.685 ( 0.145 0.504 11.225) 11.238 2.158 ( -3.646 7.268 7.549) 11.095 2.279 ( -4.308 -1.618 6.300) 7.802 2.481 ( -2.000 -1.365 0.412) 2.456 2.541 ( 1.379 -7.667 -0.298) 7.796 2.840 ( 5.384 5.179 4.887) 8.927 2.922 ( 6.393 -2.215 3.078) 7.433 3.013 ( 2.041 9.583 0.653) 9.820 3.157 ( 2.282 -3.374 2.669) 4.870 3.253 ( -1.706 3.051 -2.588) 4.349 3.315 ( 0.908 -3.352 -2.048) 4.032 3.542 ( 6.997 5.575 -5.321) 10.409 3.577 ( 6.359 3.028 -1.564) 7.214 3.772 ( 4.891 5.703 4.681) 8.852 3.867 ( 3.422 -1.867 -0.501) 3.931 4.103 ( -8.153 -0.167 -1.075) 8.225 4.197 ( -7.649 -5.686 -4.330) 10.469 4.343 ( -8.772 4.765 12.234) 15.790 4.435 ( -4.371 -4.723 13.703) 15.139 4.543 ( -2.567 19.299 8.107) 21.089 4.692 ( -4.524 9.191 1.033) 10.296 4.959 ( -3.421 -6.236 2.397) 7.506 4.973 ( -4.222 -11.594 -0.191) 12.341 5.439 ( 5.224 4.865 0.950) 7.202 5.547 ( 1.005 5.246 -4.213) 6.802 5.629 ( -0.346 -5.816 -2.956) 6.534 5.637 ( 1.763 -5.751 -0.816) 6.070 6.075 ( -2.683 2.766 1.784) 4.246 6.141 ( -0.576 -2.525 -1.636) 3.063 6.563 ( 3.623 7.360 6.024) 10.178 6.756 ( 4.068 -11.406 4.107) 12.787 6.864 ( 1.922 10.232 -4.347) 11.282 7.059 ( -1.885 3.747 -4.831) 6.398 7.091 ( 7.581 -5.835 -2.540) 9.898 7.263 ( -3.424 -10.290 -2.618) 11.156 7.619 ( 0.110 5.472 -1.330) 5.632 7.692 ( -3.180 0.687 -3.467) 4.754 7.959 ( -7.470 1.704 -0.232) 7.665 8.066 ( -10.380 -5.567 -4.804) 12.721 8.416 ( 0.313 2.951 -4.916) 5.742 8.448 ( -0.753 -0.428 -3.370) 3.480 8.593 ( 0.730 5.461 -1.555) 5.725 8.704 ( 1.708 -2.133 1.608) 3.170 8.936 ( 4.296 5.988 -0.449) 7.383 9.108 ( 3.189 -8.870 6.975) 11.726 9.377 ( 2.811 2.305 -0.541) 3.675 9.405 ( 2.830 -0.860 -3.457) 4.549 10.295 ( -5.669 5.007 9.488) 12.134 10.417 ( -5.713 -6.186 11.516) 14.266 10.745 ( 0.960 6.225 1.203) 6.413 10.867 ( 1.823 -4.780 -0.325) 5.126 11.214 ( 4.003 8.487 -7.673) 12.122 11.351 ( -3.842 1.287 -7.172) 8.237 11.442 ( 2.337 0.093 -8.746) 9.053 11.560 ( -7.194 -8.855 -3.942) 12.071 11.755 ( 10.225 0.273 -1.212) 10.300 11.834 ( 4.087 -5.817 -1.402) 7.246 12.379 ( 4.383 5.809 4.743) 8.686 12.571 ( 4.525 -11.995 3.705) 13.345 12.850 ( 3.971 8.277 5.898) 10.911 12.993 ( 1.534 -3.088 4.669) 5.804 13.210 ( -1.725 0.608 -5.194) 5.506 13.313 ( -0.983 -6.402 -6.489) 9.168 13.768 ( 0.105 2.339 6.261) 6.685 13.840 ( -1.321 -4.958 6.409) 8.210 14.359 ( -5.238 7.346 0.305) 9.027 14.411 ( -2.685 0.879 -4.884) 5.642 14.463 ( -2.642 1.003 -9.994) 10.386 14.591 ( 0.531 -9.457 -2.013) 9.684 15.017 ( 2.945 4.904 4.927) 7.549 15.117 ( 0.396 -4.457 5.118) 6.798 16.067 ( -7.454 1.314 -1.765) 7.772 16.098 ( -6.535 -1.378 -2.884) 7.275 16.349 ( 3.809 8.803 1.459) 9.701 16.469 ( 0.639 -2.584 -0.382) 2.689 16.757 ( 3.627 6.169 -3.119) 7.806 16.873 ( 2.301 -4.470 -4.412) 6.689 17.084 ( -0.749 2.882 0.004) 2.978 17.158 ( 1.737 -3.408 -0.845) 3.917 24.893 ( 0.414 0.829 4.626) 4.718 24.915 ( 2.632 -1.215 4.952) 5.738 25.140 ( -4.184 5.032 0.934) 6.611 25.250 ( -4.876 -5.515 0.828) 7.408 25.513 ( -0.521 1.546 4.505) 4.791 25.565 ( -0.578 -3.280 3.481) 4.818 25.823 ( -0.203 2.752 0.522) 2.809 25.889 ( -1.121 -3.240 -0.606) 3.482 27.336 ( 1.253 6.542 4.198) 7.874 27.510 ( 1.393 -9.489 5.016) 10.824 27.693 ( -0.804 2.688 -0.962) 2.966 27.771 ( 0.703 -4.953 -4.202) 6.533 29.761 ( 0.003 4.071 1.618) 4.381 29.859 ( -0.395 -5.291 -0.118) 5.307 31.276 ( 1.818 9.182 -7.731) 12.140 31.370 ( 2.302 0.026 -8.583) 8.886 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.323 11.150 11.088) 15.895 1.867 ( 8.068 -0.914 13.500) 15.754 2.121 ( -3.643 6.874 11.936) 14.247 2.261 ( -2.762 -5.022 7.456) 9.405 2.539 ( 7.254 0.521 -1.335) 7.394 2.616 ( 5.106 -6.699 -1.712) 8.595 2.963 ( 1.853 4.505 0.236) 4.877 3.040 ( 1.810 -1.410 -1.823) 2.931 3.084 ( 5.063 8.775 3.408) 10.689 3.131 ( -1.928 0.954 -2.728) 3.475 3.194 ( -3.095 -0.904 -0.138) 3.227 3.299 ( 1.239 -4.944 2.532) 5.691 3.611 ( 2.972 13.504 -5.985) 15.067 3.699 ( 7.410 10.028 -0.899) 12.501 3.818 ( -6.314 5.322 0.418) 8.268 3.906 ( -12.429 -1.512 0.125) 12.521 3.971 ( 6.033 -0.715 1.332) 6.219 4.122 ( 5.901 -5.817 -1.062) 8.354 4.240 ( -6.310 8.016 8.823) 13.487 4.440 ( -1.077 -9.501 10.280) 14.040 4.571 ( -1.625 13.944 10.148) 17.322 4.601 ( -4.624 8.097 3.454) 9.944 4.826 ( -8.719 -13.627 -1.840) 16.282 4.924 ( -4.114 -11.071 5.666) 13.099 5.469 ( -2.407 4.936 1.843) 5.793 5.592 ( 2.809 1.681 -5.500) 6.400 5.661 ( 8.318 3.179 -3.483) 9.562 5.708 ( 4.251 -4.857 1.044) 6.539 6.060 ( -0.098 2.538 1.212) 2.814 6.166 ( 4.083 -5.423 -1.221) 6.897 6.609 ( -3.149 6.263 5.119) 8.680 6.737 ( -8.117 -4.776 1.830) 9.593 6.879 ( 3.226 5.852 -4.235) 7.911 7.006 ( -0.149 -5.766 0.157) 5.771 7.151 ( -1.245 -3.361 -3.138) 4.763 7.174 ( -1.141 -4.442 -7.728) 8.987 7.589 ( -3.925 5.743 -1.927) 7.218 7.669 ( 0.323 0.754 -0.946) 1.252 7.865 ( -1.359 0.157 0.905) 1.640 7.950 ( 2.924 -5.574 -0.323) 6.303 8.348 ( -2.186 3.834 -4.906) 6.599 8.402 ( -3.395 -1.441 -2.873) 4.676 8.637 ( 3.661 4.228 -2.607) 6.171 8.749 ( 1.112 -5.027 1.448) 5.349 9.007 ( 1.626 7.944 3.090) 8.677 9.173 ( -0.431 -7.059 5.272) 8.821 9.432 ( 3.042 1.797 -2.107) 4.114 9.453 ( 5.340 -0.434 -5.533) 7.702 10.240 ( -4.795 5.727 7.954) 10.912 10.384 ( -3.900 -7.492 9.668) 12.838 10.760 ( 0.022 6.324 1.380) 6.473 10.878 ( -0.186 -4.724 -0.834) 4.800 11.179 ( -6.686 4.088 -3.307) 8.506 11.235 ( -3.726 0.262 -5.306) 6.489 11.328 ( -0.754 6.240 -8.126) 10.273 11.564 ( 7.136 -11.959 -3.937) 14.472 11.931 ( 4.872 1.530 -1.334) 5.278 11.982 ( 11.029 -3.536 -1.933) 11.742 12.485 ( 4.060 6.591 2.037) 8.004 12.650 ( 2.570 -8.613 -2.328) 9.284 12.978 ( 6.556 4.820 0.611) 8.160 13.007 ( -0.267 5.314 -0.541) 5.348 13.190 ( 1.203 -4.648 -1.034) 4.911 13.309 ( 3.291 -10.721 1.290) 11.289 13.803 ( -0.939 0.105 6.447) 6.516 13.839 ( -2.012 -2.868 4.604) 5.786 14.220 ( -6.566 5.350 -4.884) 9.777 14.316 ( -4.614 -3.293 -5.050) 7.592 14.399 ( -0.334 7.882 -0.860) 7.935 14.597 ( 1.371 -10.280 -1.764) 10.520 15.119 ( 3.362 3.503 5.247) 7.149 15.169 ( 2.986 -0.889 4.032) 5.096 15.915 ( -7.900 2.392 0.017) 8.254 15.981 ( -4.618 -3.664 0.382) 5.907 16.427 ( 2.977 6.896 1.143) 7.598 16.499 ( 3.591 0.055 -0.735) 3.666 16.776 ( 1.278 5.880 -5.728) 8.307 16.867 ( 0.534 -2.300 -6.507) 6.922 17.034 ( -5.277 2.509 2.019) 6.182 17.135 ( -3.925 -5.983 -0.304) 7.162 24.876 ( -4.753 3.524 3.838) 7.052 24.960 ( -2.180 -4.045 5.211) 6.947 25.092 ( -0.979 2.537 2.292) 3.557 25.153 ( -3.725 -3.701 -0.115) 5.252 25.541 ( 0.317 0.714 5.195) 5.253 25.579 ( 0.078 -2.668 3.248) 4.204 25.825 ( -0.092 1.527 1.006) 1.830 25.868 ( -0.663 -2.341 -0.307) 2.452 27.370 ( -0.330 6.360 3.799) 7.416 27.528 ( -1.922 -8.208 2.999) 8.947 27.677 ( 0.441 5.253 -2.070) 5.663 27.795 ( 3.191 -5.981 -1.935) 7.050 29.787 ( 1.680 2.769 1.602) 3.613 29.864 ( 0.953 -4.487 -0.100) 4.588 31.280 ( 3.173 8.581 -7.776) 12.007 31.367 ( 2.468 0.158 -9.068) 9.399 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 5.250 16.343 7.856) 18.878 2.081 ( 3.219 7.088 14.325) 16.303 2.163 ( 2.662 -1.372 6.246) 6.927 2.287 ( 0.634 -2.423 10.863) 11.148 2.620 ( 0.830 -3.457 -4.726) 5.914 2.641 ( -2.657 -5.217 -3.994) 7.087 2.846 ( -5.209 2.724 -7.796) 9.764 2.914 ( -3.494 -4.062 -9.023) 10.494 3.179 ( 1.656 3.780 3.467) 5.390 3.205 ( 3.150 5.274 1.485) 6.320 3.242 ( 5.042 -0.739 2.825) 5.827 3.340 ( -0.330 -4.386 2.838) 5.234 3.588 ( -5.945 10.451 2.471) 12.275 3.639 ( -7.573 5.919 -2.094) 9.837 3.693 ( -7.188 5.447 1.436) 9.132 3.875 ( 8.908 9.809 -1.650) 13.352 3.978 ( -0.809 2.651 -7.802) 8.280 4.211 ( -1.894 12.560 7.643) 14.824 4.316 ( 5.192 -3.696 8.050) 10.268 4.415 ( -4.693 -11.355 4.732) 13.167 4.605 ( 3.932 1.876 9.481) 10.434 4.626 ( -3.930 0.771 4.543) 6.057 4.715 ( 1.682 -7.236 6.952) 10.175 4.903 ( -0.516 -11.902 7.564) 14.112 5.410 ( -3.900 9.144 -0.904) 9.982 5.615 ( 2.509 -5.480 -3.675) 7.060 5.773 ( 5.359 2.279 -4.461) 7.336 5.791 ( 3.785 0.156 -0.709) 3.854 6.065 ( -0.884 4.441 1.233) 4.693 6.215 ( -0.269 -7.400 -3.766) 8.307 6.510 ( -6.254 3.364 2.876) 7.662 6.581 ( -7.776 -4.015 1.250) 8.840 6.897 ( -0.484 8.438 -2.531) 8.823 7.030 ( -3.562 2.425 -9.188) 10.148 7.082 ( 2.865 -7.606 3.448) 8.829 7.141 ( 1.541 -5.138 -7.397) 9.137 7.575 ( 1.914 4.831 2.902) 5.952 7.671 ( 2.379 -3.871 5.579) 7.195 7.945 ( 6.360 5.363 0.322) 8.326 8.061 ( 6.980 -6.183 1.923) 9.521 8.323 ( 1.497 3.182 -0.350) 3.534 8.336 ( -2.106 0.642 0.046) 2.202 8.670 ( 2.292 1.093 -4.567) 5.226 8.731 ( -3.352 -4.627 -0.654) 5.751 9.018 ( -1.990 7.423 3.051) 8.268 9.159 ( -2.620 -5.193 2.057) 6.170 9.457 ( 1.579 2.466 -5.698) 6.406 9.500 ( 2.264 -1.984 -6.502) 7.165 10.213 ( -2.544 5.909 8.055) 10.309 10.371 ( -2.362 -8.365 7.313) 11.359 10.760 ( -1.281 5.351 1.781) 5.783 10.857 ( -1.032 -3.480 -1.724) 4.018 11.049 ( -4.327 0.208 -4.315) 6.115 11.093 ( -6.479 -3.713 -3.070) 8.074 11.397 ( 7.938 14.613 -2.986) 16.895 11.713 ( 9.775 -13.468 -1.697) 16.727 11.971 ( 1.756 5.605 -5.995) 8.393 12.100 ( 4.015 -6.061 -6.298) 9.618 12.522 ( -0.328 4.733 -1.861) 5.097 12.631 ( -1.467 -5.201 -4.928) 7.314 12.958 ( -3.080 5.264 -3.589) 7.076 13.051 ( -0.696 -3.422 -5.917) 6.871 13.235 ( 3.789 1.977 -0.787) 4.345 13.412 ( 3.530 -12.081 2.882) 12.912 13.787 ( -2.621 0.903 6.477) 7.045 13.846 ( 0.354 -2.937 5.097) 5.893 14.119 ( -1.954 7.178 0.161) 7.441 14.250 ( -0.421 -4.482 0.636) 4.546 14.427 ( 3.261 8.044 2.282) 8.974 14.629 ( 2.670 -10.184 -1.211) 10.598 15.135 ( -2.873 6.751 0.807) 7.381 15.266 ( 2.580 -5.279 4.635) 7.483 15.821 ( -1.499 6.685 4.193) 8.032 15.960 ( 1.245 -6.501 5.390) 8.536 16.471 ( 2.327 8.004 -0.482) 8.350 16.581 ( 4.588 -1.929 -1.542) 5.211 16.763 ( 1.330 5.894 -6.617) 8.961 16.814 ( -4.300 1.938 -5.098) 6.945 16.934 ( -4.264 -0.571 -0.167) 4.305 17.021 ( -7.638 -7.634 0.556) 10.813 24.793 ( -4.757 3.677 2.011) 6.340 24.877 ( -6.603 -4.145 1.665) 7.972 25.122 ( 1.193 1.024 5.210) 5.442 25.147 ( 0.572 -1.207 4.736) 4.921 25.569 ( -0.362 -0.103 4.703) 4.718 25.596 ( -0.159 -2.380 2.569) 3.506 25.826 ( -0.265 1.494 0.823) 1.726 25.869 ( 0.666 -2.548 0.828) 2.761 27.362 ( -2.027 4.495 2.225) 5.409 27.483 ( -3.361 -6.760 0.173) 7.552 27.689 ( 1.301 7.237 -0.948) 7.414 27.843 ( 2.439 -7.138 -1.498) 7.690 29.826 ( 1.289 1.953 1.360) 2.706 29.888 ( 1.361 -3.765 0.196) 4.008 31.308 ( 4.221 6.802 -7.934) 11.271 31.362 ( 2.158 1.652 -9.300) 9.688 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -5.009 0.000 21.774) 22.343 1.753 ( 3.226 0.000 27.597) 27.785 2.231 ( 3.483 0.000 -10.807) 11.355 2.538 ( -6.549 0.000 9.348) 11.414 2.630 ( -5.680 0.000 -4.192) 7.059 2.643 ( 0.863 0.000 10.342) 10.378 2.814 ( 8.858 0.000 8.256) 12.109 2.893 ( -7.903 0.000 1.325) 8.013 2.945 ( 2.983 0.000 -4.740) 5.601 3.091 ( 2.774 0.000 -7.350) 7.856 3.221 ( -4.099 0.000 5.874) 7.163 3.253 ( 0.270 0.000 -2.001) 2.019 3.491 ( -2.612 0.000 6.010) 6.553 3.515 ( 2.651 0.000 6.414) 6.941 3.627 ( 6.399 0.000 21.449) 22.383 3.662 ( 0.245 0.000 0.868) 0.902 3.749 ( 1.944 0.000 -5.008) 5.372 3.986 ( -8.943 0.000 2.534) 9.295 4.298 ( 9.089 0.000 6.057) 10.922 4.457 ( 1.389 0.000 -7.089) 7.224 4.489 ( -0.057 0.000 11.142) 11.142 4.547 ( -8.130 0.000 8.232) 11.570 4.939 ( 7.463 0.000 -7.757) 10.764 5.174 ( -3.183 0.000 -17.945) 18.225 5.527 ( -4.624 0.000 -2.987) 5.505 5.677 ( 8.111 0.000 -9.847) 12.758 5.857 ( -3.722 0.000 1.057) 3.869 5.872 ( -3.552 0.000 -0.595) 3.602 6.173 ( -1.139 0.000 -3.449) 3.632 6.209 ( -1.674 0.000 6.143) 6.367 6.239 ( -5.464 0.000 -2.444) 5.985 6.464 ( 3.958 0.000 -6.714) 7.793 6.576 ( -3.800 0.000 -1.794) 4.202 6.592 ( -1.771 0.000 -2.165) 2.797 7.290 ( 13.692 0.000 3.134) 14.046 7.432 ( -13.694 0.000 -5.592) 14.792 7.508 ( 4.335 0.000 3.141) 5.353 7.543 ( 3.831 0.000 3.318) 5.068 7.990 ( -5.205 0.000 1.959) 5.562 8.045 ( 6.617 0.000 7.070) 9.683 8.308 ( 2.804 0.000 -7.540) 8.044 8.315 ( -7.916 0.000 -7.339) 10.795 8.753 ( 0.121 0.000 -3.824) 3.826 8.757 ( -5.102 0.000 -0.855) 5.173 8.910 ( 8.104 0.000 6.784) 10.569 9.170 ( -10.323 0.000 5.773) 11.828 9.176 ( 11.911 0.000 -1.752) 12.039 9.463 ( -6.028 0.000 -12.138) 13.553 10.419 ( -7.273 0.000 11.284) 13.424 10.470 ( 0.628 0.000 6.760) 6.789 10.794 ( 3.590 0.000 -8.375) 9.112 10.858 ( 3.460 0.000 -8.337) 9.026 10.936 ( 1.103 0.000 2.301) 2.552 11.075 ( -5.859 0.000 -2.844) 6.512 11.680 ( 1.850 0.000 8.953) 9.142 11.746 ( 5.129 0.000 6.360) 8.170 12.128 ( 8.789 0.000 7.795) 11.748 12.231 ( -7.587 0.000 1.192) 7.680 12.441 ( 2.105 0.000 -0.159) 2.111 12.482 ( 1.971 0.000 -8.066) 8.304 12.740 ( 4.339 0.000 -9.132) 10.111 12.884 ( -11.994 0.000 -17.136) 20.917 13.300 ( 11.634 0.000 -2.403) 11.880 13.452 ( -3.824 0.000 -6.867) 7.860 13.933 ( -12.947 0.000 3.259) 13.351 14.052 ( 2.646 0.000 -1.826) 3.215 14.112 ( 2.290 0.000 14.005) 14.191 14.590 ( 2.551 0.000 4.375) 5.064 14.661 ( -2.574 0.000 -6.174) 6.690 14.785 ( -4.568 0.000 -0.614) 4.609 15.131 ( 11.865 0.000 2.076) 12.045 15.294 ( -7.078 0.000 -4.851) 8.581 15.841 ( 15.237 0.000 2.459) 15.434 15.939 ( -14.610 0.000 -2.215) 14.777 16.340 ( 10.267 0.000 3.355) 10.801 16.430 ( -0.233 0.000 -0.760) 0.795 16.483 ( 4.015 0.000 7.261) 8.297 16.647 ( -0.278 0.000 -1.597) 1.621 16.917 ( -5.453 0.000 6.180) 8.241 17.167 ( -2.756 0.000 -5.268) 5.946 24.690 ( 0.066 0.000 2.946) 2.946 24.804 ( -2.945 0.000 -2.729) 4.015 25.240 ( -1.583 0.000 6.278) 6.474 25.399 ( 1.226 0.000 4.993) 5.141 25.635 ( -0.748 0.000 -1.659) 1.820 25.668 ( -3.510 0.000 1.779) 3.935 25.975 ( 0.903 0.000 4.790) 4.874 26.164 ( -7.272 0.000 -5.176) 8.926 27.587 ( 2.803 0.000 8.974) 9.401 27.664 ( -8.192 0.000 8.160) 11.562 27.917 ( 0.366 0.000 -9.268) 9.275 28.122 ( 19.617 0.000 -12.119) 23.058 29.701 ( -0.625 0.000 2.989) 3.054 29.860 ( 0.076 0.000 -4.388) 4.388 30.584 ( -1.198 0.000 2.327) 2.617 30.698 ( 0.353 0.000 -2.900) 2.921 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 5.884 0.000 17.890) 18.833 1.986 ( 5.189 0.000 26.028) 26.540 2.276 ( 6.332 0.000 -9.479) 11.399 2.386 ( -11.810 0.000 1.627) 11.922 2.483 ( -7.514 0.000 -1.784) 7.723 2.609 ( -11.395 0.000 4.434) 12.227 2.716 ( -8.238 0.000 4.057) 9.183 2.902 ( -1.615 0.000 -0.396) 1.663 3.052 ( 6.922 0.000 3.196) 7.624 3.081 ( 0.833 0.000 -8.883) 8.922 3.142 ( -6.753 0.000 6.927) 9.674 3.223 ( -2.203 0.000 -3.243) 3.920 3.422 ( -6.272 0.000 1.982) 6.578 3.566 ( -1.244 0.000 6.696) 6.811 3.683 ( 1.141 0.000 -0.916) 1.464 3.782 ( 5.219 0.000 -4.289) 6.755 3.794 ( -10.182 0.000 6.067) 11.853 3.930 ( 9.076 0.000 21.452) 23.293 4.331 ( -8.887 0.000 -10.862) 14.034 4.425 ( 3.024 0.000 -3.821) 4.873 4.441 ( -8.157 0.000 11.311) 13.945 4.623 ( 3.917 0.000 13.965) 14.504 4.987 ( 1.061 0.000 -7.605) 7.678 5.036 ( -1.157 0.000 -15.806) 15.849 5.469 ( 0.877 0.000 -1.477) 1.718 5.698 ( 1.815 0.000 -11.555) 11.696 5.827 ( -0.114 0.000 3.518) 3.520 5.847 ( 0.300 0.000 1.570) 1.599 6.148 ( -2.088 0.000 -0.518) 2.152 6.178 ( 2.011 0.000 1.256) 2.371 6.222 ( -1.970 0.000 6.516) 6.807 6.430 ( 0.118 0.000 -5.412) 5.413 6.628 ( 6.336 0.000 1.022) 6.418 6.654 ( 6.719 0.000 -1.203) 6.826 7.267 ( 0.184 0.000 -3.895) 3.900 7.582 ( 8.890 0.000 2.889) 9.347 7.584 ( 0.010 0.000 -1.616) 1.616 7.630 ( 11.816 0.000 -0.372) 11.822 7.877 ( -7.346 0.000 5.113) 8.950 8.122 ( -1.700 0.000 0.623) 1.810 8.152 ( -4.950 0.000 -5.953) 7.742 8.372 ( 7.386 0.000 -4.496) 8.647 8.672 ( -4.185 0.000 0.811) 4.263 8.761 ( 0.907 0.000 2.878) 3.018 8.921 ( -10.283 0.000 0.781) 10.313 9.125 ( -6.001 0.000 -13.171) 14.474 9.131 ( 3.741 0.000 8.605) 9.383 9.495 ( 6.775 0.000 0.347) 6.784 10.355 ( -3.933 0.000 8.375) 9.252 10.421 ( -7.748 0.000 5.172) 9.316 10.839 ( 4.988 0.000 -5.633) 7.524 10.890 ( 2.519 0.000 -3.658) 4.441 10.992 ( -2.416 0.000 -2.754) 3.663 11.092 ( 13.263 0.000 2.330) 13.466 11.738 ( -0.846 0.000 3.534) 3.634 11.861 ( 5.096 0.000 2.186) 5.545 12.048 ( -8.885 0.000 -1.077) 8.950 12.237 ( -5.304 0.000 6.838) 8.654 12.456 ( 1.770 0.000 -6.552) 6.787 12.495 ( 1.733 0.000 2.682) 3.193 12.592 ( -9.977 0.000 -13.794) 17.024 12.781 ( 4.308 0.000 -5.919) 7.321 13.344 ( -3.247 0.000 -10.945) 11.417 13.443 ( 6.406 0.000 -2.394) 6.839 13.800 ( -2.093 0.000 9.420) 9.650 14.148 ( 6.305 0.000 1.419) 6.462 14.245 ( 2.265 0.000 16.668) 16.822 14.426 ( -8.586 0.000 -9.682) 12.940 14.703 ( -2.590 0.000 -2.291) 3.458 14.826 ( 9.759 0.000 5.372) 11.140 15.090 ( -10.177 0.000 -8.322) 13.147 15.352 ( 10.493 0.000 2.485) 10.783 15.630 ( -16.462 0.000 -3.208) 16.771 16.071 ( 7.575 0.000 2.444) 7.960 16.339 ( -5.671 0.000 -5.526) 7.918 16.517 ( 5.908 0.000 0.859) 5.970 16.560 ( -1.311 0.000 3.325) 3.574 16.580 ( -3.630 0.000 -5.568) 6.647 16.958 ( 4.712 0.000 10.488) 11.498 17.137 ( 2.169 0.000 -2.290) 3.154 24.752 ( 4.370 0.000 3.766) 5.769 24.793 ( 2.611 0.000 -0.875) 2.753 25.225 ( -3.844 0.000 6.841) 7.847 25.422 ( -0.421 0.000 -0.861) 0.958 25.617 ( -2.497 0.000 1.555) 2.942 25.651 ( 1.803 0.000 5.814) 6.087 26.024 ( 0.960 0.000 5.945) 6.022 26.051 ( -3.138 0.000 -1.298) 3.396 27.521 ( -10.750 0.000 7.025) 12.842 27.673 ( 1.521 0.000 6.850) 7.017 27.857 ( -1.344 0.000 -11.513) 11.591 28.256 ( 4.393 0.000 -17.256) 17.807 29.723 ( 0.877 0.000 3.495) 3.603 29.888 ( 4.904 0.000 -4.784) 6.851 30.592 ( 0.544 0.000 2.610) 2.666 30.687 ( 0.191 0.000 -2.749) 2.756 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 8.609 0.000 9.071) 12.506 2.121 ( -5.077 0.000 7.978) 9.456 2.180 ( -10.568 0.000 12.692) 16.515 2.317 ( -5.803 0.000 10.682) 12.157 2.353 ( -3.220 0.000 -8.032) 8.653 2.432 ( 2.577 0.000 -1.862) 3.179 2.615 ( -6.675 0.000 1.776) 6.907 2.843 ( -4.017 0.000 -1.838) 4.418 3.020 ( -3.793 0.000 -3.412) 5.102 3.040 ( -6.296 0.000 10.503) 12.245 3.123 ( -2.351 0.000 -4.731) 5.283 3.161 ( -0.207 0.000 -8.682) 8.684 3.338 ( -3.224 0.000 5.263) 6.172 3.542 ( -4.484 0.000 4.563) 6.398 3.627 ( -4.288 0.000 4.360) 6.115 3.771 ( 0.263 0.000 6.819) 6.824 3.820 ( 1.477 0.000 -7.566) 7.708 4.021 ( -8.713 0.000 2.004) 8.941 4.221 ( 3.215 0.000 0.280) 3.227 4.401 ( -3.506 0.000 19.314) 19.630 4.445 ( 2.509 0.000 -5.942) 6.450 4.652 ( -5.331 0.000 4.450) 6.944 4.936 ( -2.107 0.000 -3.659) 4.223 4.974 ( 3.011 0.000 -12.548) 12.904 5.539 ( 5.892 0.000 0.408) 5.906 5.682 ( 2.442 0.000 -6.753) 7.181 5.883 ( 2.524 0.000 5.134) 5.720 5.886 ( 2.251 0.000 2.505) 3.368 6.128 ( -0.721 0.000 1.593) 1.748 6.214 ( -0.433 0.000 1.641) 1.697 6.239 ( 0.592 0.000 5.869) 5.899 6.439 ( 2.941 0.000 -1.834) 3.465 6.761 ( 7.547 0.000 -3.313) 8.242 6.777 ( 6.094 0.000 3.059) 6.819 7.376 ( 10.624 0.000 -3.824) 11.291 7.541 ( -2.221 0.000 -3.064) 3.784 7.577 ( -3.736 0.000 -5.367) 6.539 7.775 ( -3.241 0.000 5.420) 6.315 7.933 ( 8.062 0.000 -1.318) 8.169 8.059 ( -3.067 0.000 -0.929) 3.204 8.116 ( 5.830 0.000 2.072) 6.187 8.449 ( 1.830 0.000 -1.632) 2.451 8.602 ( -4.572 0.000 3.108) 5.528 8.746 ( -5.078 0.000 -0.132) 5.080 8.761 ( -4.237 0.000 -1.753) 4.586 9.032 ( 2.832 0.000 -10.308) 10.690 9.223 ( 0.641 0.000 8.518) 8.542 9.554 ( -0.111 0.000 0.007) 0.111 10.300 ( -7.024 0.000 4.912) 8.571 10.392 ( 4.367 0.000 3.412) 5.541 10.865 ( -2.445 0.000 -1.371) 2.803 10.925 ( 2.458 0.000 -0.590) 2.528 10.993 ( 5.968 0.000 -1.269) 6.101 11.358 ( 11.164 0.000 5.191) 12.312 11.616 ( -10.025 0.000 -6.038) 11.703 11.940 ( -0.394 0.000 -1.429) 1.483 11.995 ( 1.907 0.000 2.117) 2.849 12.074 ( -7.383 0.000 2.103) 7.677 12.390 ( -2.954 0.000 -11.233) 11.615 12.469 ( 0.696 0.000 -1.390) 1.554 12.529 ( -0.499 0.000 3.757) 3.790 12.772 ( -3.989 0.000 -5.919) 7.138 13.272 ( 3.597 0.000 -9.560) 10.214 13.544 ( 5.643 0.000 -1.338) 5.799 13.931 ( 7.673 0.000 11.356) 13.705 14.210 ( -4.457 0.000 -6.963) 8.268 14.268 ( 0.296 0.000 0.946) 0.991 14.343 ( -2.471 0.000 14.563) 14.771 14.682 ( 2.268 0.000 -1.633) 2.795 14.864 ( -8.268 0.000 -7.555) 11.200 14.982 ( 4.543 0.000 -1.933) 4.937 15.331 ( -12.250 0.000 -3.607) 12.770 15.553 ( 8.957 0.000 4.596) 10.067 16.131 ( -3.894 0.000 -3.973) 5.563 16.228 ( -1.032 0.000 2.820) 3.003 16.435 ( -5.368 0.000 -4.341) 6.903 16.503 ( -4.806 0.000 0.277) 4.814 16.609 ( 2.814 0.000 -5.132) 5.853 17.114 ( 4.744 0.000 8.678) 9.890 17.208 ( 4.895 0.000 0.942) 4.985 24.869 ( 5.060 0.000 4.036) 6.473 24.873 ( 5.453 0.000 0.598) 5.486 25.170 ( -5.799 0.000 6.930) 9.036 25.390 ( -0.871 0.000 -4.187) 4.277 25.601 ( -0.378 0.000 2.530) 2.558 25.727 ( 1.469 0.000 5.296) 5.496 26.050 ( 3.476 0.000 3.200) 4.725 26.062 ( -0.911 0.000 7.181) 7.239 27.368 ( -7.996 0.000 4.028) 8.953 27.723 ( 0.273 0.000 6.267) 6.273 27.728 ( -5.433 0.000 -14.669) 15.643 28.179 ( -1.822 0.000 -13.808) 13.928 29.758 ( 0.282 0.000 4.162) 4.171 29.954 ( 4.496 0.000 -5.409) 7.034 30.624 ( 1.722 0.000 0.741) 1.875 30.680 ( 0.583 0.000 -2.302) 2.375 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -14.465 0.000 14.522) 20.497 1.931 ( -15.148 0.000 7.521) 16.913 2.272 ( -2.351 0.000 6.686) 7.087 2.280 ( 3.570 0.000 -5.190) 6.299 2.341 ( 9.451 0.000 6.203) 11.304 2.483 ( -3.757 0.000 -5.375) 6.558 2.615 ( 8.540 0.000 9.157) 12.521 2.746 ( -6.439 0.000 5.777) 8.651 2.927 ( -3.810 0.000 -1.251) 4.010 2.991 ( -4.594 0.000 2.092) 5.048 3.051 ( 1.981 0.000 -3.904) 4.378 3.141 ( 3.089 0.000 -9.411) 9.905 3.331 ( -2.194 0.000 7.752) 8.057 3.482 ( -4.367 0.000 5.004) 6.642 3.598 ( -2.407 0.000 5.846) 6.322 3.756 ( -5.102 0.000 -2.722) 5.782 3.816 ( 0.915 0.000 6.008) 6.077 3.888 ( -6.341 0.000 5.133) 8.158 4.258 ( 4.605 0.000 -9.966) 10.979 4.449 ( 0.102 0.000 -3.513) 3.515 4.485 ( -0.938 0.000 21.044) 21.065 4.554 ( -4.758 0.000 -0.395) 4.774 4.885 ( -1.648 0.000 -2.159) 2.717 5.019 ( 8.087 0.000 -10.556) 13.298 5.640 ( 3.547 0.000 1.007) 3.687 5.697 ( 1.168 0.000 -4.910) 5.048 5.931 ( -0.141 0.000 3.485) 3.488 5.961 ( 4.881 0.000 2.901) 5.678 6.169 ( 4.634 0.000 2.592) 5.310 6.173 ( -3.784 0.000 0.248) 3.792 6.278 ( -0.612 0.000 5.861) 5.893 6.491 ( 2.665 0.000 -2.701) 3.794 6.829 ( -1.751 0.000 1.179) 2.111 6.906 ( 8.816 0.000 -4.158) 9.747 7.423 ( -3.350 0.000 -2.248) 4.034 7.477 ( -4.804 0.000 -4.288) 6.439 7.590 ( 7.704 0.000 -2.218) 8.017 7.610 ( -11.618 0.000 -3.066) 12.016 8.056 ( 2.748 0.000 3.462) 4.420 8.068 ( 4.082 0.000 8.747) 9.653 8.280 ( 8.546 0.000 -3.727) 9.323 8.403 ( -6.509 0.000 -2.777) 7.076 8.557 ( -1.661 0.000 2.411) 2.928 8.650 ( -2.050 0.000 -1.355) 2.457 8.777 ( 5.491 0.000 0.834) 5.554 9.000 ( -1.418 0.000 -13.128) 13.205 9.263 ( -0.518 0.000 8.678) 8.694 9.547 ( 1.164 0.000 -1.115) 1.612 10.237 ( -2.845 0.000 6.194) 6.816 10.521 ( 8.513 0.000 -3.026) 9.035 10.773 ( -7.329 0.000 4.414) 8.556 10.960 ( 0.859 0.000 0.481) 0.985 11.153 ( 10.189 0.000 0.201) 10.191 11.353 ( -10.153 0.000 -9.287) 13.760 11.537 ( 0.553 0.000 10.042) 10.057 11.777 ( -11.466 0.000 5.697) 12.803 12.060 ( 4.095 0.000 -1.496) 4.360 12.100 ( 4.306 0.000 -8.616) 9.632 12.413 ( 11.012 0.000 -6.112) 12.595 12.442 ( -3.297 0.000 -4.269) 5.394 12.526 ( -1.314 0.000 2.079) 2.459 12.630 ( -2.961 0.000 -6.347) 7.004 13.366 ( 7.911 0.000 -0.032) 7.911 13.599 ( 0.490 0.000 -6.475) 6.493 14.125 ( 1.523 0.000 -1.230) 1.958 14.133 ( 7.141 0.000 8.112) 10.807 14.244 ( -10.652 0.000 1.361) 10.738 14.268 ( -2.559 0.000 1.032) 2.760 14.735 ( -3.501 0.000 -0.506) 3.538 14.816 ( 9.207 0.000 7.328) 11.768 14.961 ( -2.585 0.000 -7.460) 7.895 15.143 ( -7.104 0.000 -3.880) 8.094 15.741 ( 8.650 0.000 4.926) 9.954 15.969 ( -7.690 0.000 -6.962) 10.374 16.274 ( 0.025 0.000 8.490) 8.490 16.354 ( -2.029 0.000 -0.462) 2.081 16.413 ( -3.510 0.000 -1.548) 3.836 16.597 ( 0.164 0.000 -7.177) 7.179 17.194 ( -0.555 0.000 5.958) 5.984 17.293 ( 3.099 0.000 0.909) 3.230 24.925 ( -2.794 0.000 2.910) 4.035 24.971 ( 3.643 0.000 1.603) 3.980 25.126 ( -1.323 0.000 6.948) 7.073 25.358 ( 0.074 0.000 -4.909) 4.909 25.627 ( 1.270 0.000 3.662) 3.876 25.734 ( -1.436 0.000 -0.591) 1.553 26.058 ( -3.670 0.000 7.077) 7.972 26.227 ( 12.127 0.000 5.137) 13.170 27.298 ( -1.479 0.000 3.889) 4.161 27.512 ( -8.694 0.000 -12.781) 15.457 27.752 ( -0.776 0.000 6.415) 6.462 28.081 ( -1.571 0.000 -10.231) 10.351 29.769 ( -1.552 0.000 4.327) 4.597 29.986 ( 1.926 0.000 -5.022) 5.379 30.653 ( 1.281 0.000 -1.594) 2.045 30.685 ( 1.090 0.000 -2.020) 2.295 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -12.541 0.000 19.266) 22.988 1.709 ( -14.222 0.000 15.918) 21.345 2.303 ( 2.240 0.000 0.492) 2.293 2.367 ( 8.257 0.000 0.565) 8.276 2.424 ( -0.305 0.000 -1.388) 1.421 2.493 ( 1.123 0.000 5.941) 6.046 2.721 ( -0.453 0.000 13.117) 13.125 2.809 ( 7.246 0.000 7.599) 10.500 2.929 ( -1.080 0.000 -6.069) 6.165 2.929 ( 5.529 0.000 -2.239) 5.965 3.128 ( 6.532 0.000 -3.043) 7.206 3.170 ( 4.161 0.000 -3.603) 5.504 3.346 ( -1.186 0.000 11.429) 11.490 3.434 ( -3.732 0.000 5.970) 7.041 3.596 ( -0.035 0.000 2.649) 2.650 3.630 ( -9.904 0.000 11.985) 15.548 3.831 ( -1.188 0.000 -3.651) 3.839 3.864 ( 0.787 0.000 6.214) 6.263 4.307 ( 7.199 0.000 -12.135) 14.109 4.408 ( -3.463 0.000 0.532) 3.504 4.488 ( -2.954 0.000 0.923) 3.095 4.574 ( -0.697 0.000 17.331) 17.345 4.852 ( 0.246 0.000 -4.813) 4.819 5.143 ( 10.912 0.000 -10.403) 15.076 5.643 ( -3.364 0.000 -6.636) 7.440 5.665 ( -1.101 0.000 0.655) 1.281 5.936 ( -0.161 0.000 0.589) 0.611 6.087 ( -0.869 0.000 -2.099) 2.271 6.098 ( 3.235 0.000 2.430) 4.046 6.264 ( -3.326 0.000 3.944) 5.160 6.301 ( 6.148 0.000 3.525) 7.087 6.482 ( -0.995 0.000 -6.423) 6.499 6.748 ( -5.781 0.000 -2.112) 6.154 6.962 ( -1.261 0.000 -8.591) 8.683 7.297 ( -11.651 0.000 -0.914) 11.687 7.362 ( -1.541 0.000 3.880) 4.174 7.454 ( -3.385 0.000 -1.561) 3.728 7.725 ( 7.026 0.000 3.200) 7.721 8.091 ( -7.733 0.000 -3.819) 8.625 8.109 ( -1.654 0.000 -0.317) 1.684 8.251 ( -1.564 0.000 0.795) 1.754 8.434 ( 8.346 0.000 1.039) 8.411 8.556 ( 0.929 0.000 2.132) 2.325 8.689 ( 6.054 0.000 1.599) 6.262 8.873 ( -2.464 0.000 -14.273) 14.484 8.883 ( 2.947 0.000 0.671) 3.022 9.302 ( -0.986 0.000 9.231) 9.284 9.595 ( 5.158 0.000 -5.565) 7.588 10.258 ( 1.503 0.000 6.221) 6.400 10.593 ( -2.573 0.000 -5.560) 6.126 10.708 ( 1.708 0.000 4.510) 4.823 10.951 ( -2.034 0.000 0.620) 2.126 11.124 ( -8.392 0.000 -9.345) 12.560 11.335 ( 6.867 0.000 4.369) 8.139 11.567 ( -2.167 0.000 11.109) 11.318 11.626 ( -8.771 0.000 3.024) 9.278 12.004 ( -6.661 0.000 -8.597) 10.876 12.142 ( 5.446 0.000 -0.472) 5.467 12.392 ( 3.947 0.000 -8.783) 9.629 12.506 ( -1.640 0.000 0.524) 1.721 12.647 ( 4.658 0.000 -2.912) 5.494 12.682 ( 18.839 0.000 -3.147) 19.100 13.465 ( -7.681 0.000 -15.039) 16.887 13.521 ( 6.360 0.000 3.148) 7.097 14.019 ( -9.067 0.000 -0.711) 9.095 14.194 ( -4.660 0.000 -1.681) 4.954 14.261 ( 8.465 0.000 8.178) 11.770 14.297 ( 2.919 0.000 1.607) 3.332 14.713 ( 0.900 0.000 7.840) 7.891 14.871 ( -2.518 0.000 -3.351) 4.192 14.994 ( -4.923 0.000 -10.064) 11.203 15.042 ( 9.031 0.000 10.174) 13.604 15.800 ( -6.508 0.000 -6.978) 9.542 15.928 ( 8.896 0.000 4.776) 10.097 16.277 ( -2.374 0.000 5.342) 5.846 16.313 ( -4.355 0.000 1.295) 4.543 16.406 ( 1.746 0.000 2.938) 3.418 16.577 ( 2.181 0.000 -5.103) 5.549 17.158 ( -5.893 0.000 3.948) 7.093 17.316 ( -0.655 0.000 -1.290) 1.447 24.827 ( -7.412 0.000 2.628) 7.864 24.997 ( -1.576 0.000 -0.640) 1.701 25.174 ( 1.437 0.000 5.860) 6.033 25.341 ( 0.126 0.000 -1.699) 1.704 25.677 ( 1.414 0.000 4.149) 4.383 25.698 ( -1.012 0.000 -2.981) 3.148 26.008 ( -4.878 0.000 5.269) 7.181 26.448 ( 8.019 0.000 -8.762) 11.878 27.349 ( 3.516 0.000 6.449) 7.345 27.383 ( 2.977 0.000 1.727) 3.442 27.761 ( -2.257 0.000 7.361) 7.699 28.011 ( -0.643 0.000 -8.682) 8.706 29.749 ( -2.852 0.000 3.971) 4.889 29.973 ( -0.505 0.000 -4.976) 5.001 30.648 ( -0.682 0.000 -2.390) 2.486 30.696 ( 1.192 0.000 -2.213) 2.514 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -9.917 0.000 21.999) 24.131 1.626 ( -5.252 0.000 23.286) 23.871 2.269 ( -1.198 0.000 -9.428) 9.503 2.518 ( 5.983 0.000 8.375) 10.293 2.531 ( -1.710 0.000 15.807) 15.900 2.554 ( 9.967 0.000 2.971) 10.400 2.778 ( -2.658 0.000 3.537) 4.425 2.899 ( 3.699 0.000 -6.681) 7.637 2.935 ( 1.876 0.000 3.188) 3.699 3.038 ( 6.286 0.000 -3.719) 7.304 3.214 ( 2.822 0.000 0.583) 2.882 3.243 ( 2.402 0.000 0.369) 2.430 3.418 ( 2.156 0.000 12.729) 12.910 3.434 ( 1.174 0.000 6.279) 6.388 3.546 ( -6.820 0.000 16.189) 17.567 3.633 ( 2.389 0.000 1.617) 2.885 3.784 ( -0.970 0.000 -6.565) 6.637 3.938 ( 4.668 0.000 7.250) 8.623 4.306 ( -7.808 0.000 0.883) 7.858 4.396 ( 8.224 0.000 -9.821) 12.810 4.463 ( -2.036 0.000 7.712) 7.976 4.615 ( -4.136 0.000 12.058) 12.748 4.859 ( 4.626 0.000 -7.750) 9.025 5.265 ( 5.905 0.000 -14.486) 15.643 5.570 ( 2.713 0.000 -5.522) 6.152 5.620 ( -3.572 0.000 -1.081) 3.732 5.918 ( -2.147 0.000 -0.761) 2.278 5.977 ( -5.949 0.000 -2.359) 6.400 6.200 ( 2.831 0.000 -3.024) 4.142 6.217 ( -3.748 0.000 6.582) 7.575 6.355 ( -2.357 0.000 -3.278) 4.038 6.424 ( 0.516 0.000 -6.209) 6.230 6.651 ( -2.546 0.000 -2.197) 3.363 6.779 ( -10.984 0.000 -8.498) 13.887 7.150 ( -1.887 0.000 2.181) 2.884 7.429 ( 4.351 0.000 6.678) 7.971 7.438 ( 1.377 0.000 1.644) 2.145 7.766 ( -15.907 0.000 -6.408) 17.149 7.890 ( 4.731 0.000 5.442) 7.211 8.057 ( -2.697 0.000 -1.653) 3.163 8.292 ( 2.633 0.000 -2.684) 3.760 8.460 ( -3.527 0.000 -3.680) 5.098 8.700 ( 9.721 0.000 6.292) 11.580 8.785 ( 0.534 0.000 -9.800) 9.814 8.861 ( -4.462 0.000 -0.949) 4.562 8.899 ( 13.855 0.000 2.564) 14.090 9.290 ( -5.938 0.000 8.267) 10.179 9.617 ( 0.342 0.000 -12.983) 12.988 10.358 ( 5.452 0.000 5.805) 7.964 10.488 ( -6.477 0.000 6.816) 9.402 10.775 ( 4.274 0.000 -7.399) 8.545 10.900 ( -3.207 0.000 -1.800) 3.677 10.967 ( -3.543 0.000 -5.381) 6.443 11.277 ( -14.166 0.000 0.959) 14.198 11.602 ( 6.545 0.000 3.237) 7.302 11.605 ( 0.227 0.000 10.643) 10.646 11.961 ( 3.616 0.000 4.381) 5.680 12.241 ( 3.597 0.000 3.010) 4.690 12.447 ( 5.980 0.000 -9.039) 10.838 12.464 ( -2.458 0.000 -1.988) 3.162 12.707 ( 4.120 0.000 -6.425) 7.633 13.025 ( 18.564 0.000 -2.201) 18.694 13.196 ( -11.271 0.000 -17.443) 20.768 13.556 ( -2.462 0.000 -4.949) 5.527 13.966 ( 0.702 0.000 9.672) 9.698 14.089 ( -4.137 0.000 -3.788) 5.610 14.209 ( -10.620 0.000 -1.338) 10.704 14.444 ( 5.464 0.000 9.923) 11.327 14.818 ( 1.672 0.000 5.178) 5.441 14.821 ( -5.144 0.000 -8.109) 9.603 14.930 ( 7.453 0.000 -2.685) 7.922 15.275 ( 9.975 0.000 8.423) 13.055 15.671 ( -1.414 0.000 -4.988) 5.184 16.122 ( 8.401 0.000 3.613) 9.145 16.184 ( -8.497 0.000 -0.040) 8.497 16.319 ( 3.809 0.000 6.875) 7.859 16.454 ( 0.894 0.000 3.019) 3.149 16.619 ( 3.276 0.000 -1.256) 3.509 17.037 ( -8.626 0.000 3.448) 9.290 17.259 ( -3.567 0.000 -4.103) 5.437 24.721 ( -4.818 0.000 2.532) 5.443 24.911 ( -5.494 0.000 -3.843) 6.704 25.221 ( 0.171 0.000 5.691) 5.694 25.353 ( 0.601 0.000 4.033) 4.077 25.666 ( -0.621 0.000 -3.856) 3.905 25.704 ( -1.176 0.000 3.327) 3.528 25.960 ( -2.283 0.000 4.141) 4.729 26.361 ( -7.450 0.000 -12.747) 14.764 27.469 ( 4.517 0.000 8.506) 9.631 27.697 ( 24.769 0.000 2.054) 24.854 27.740 ( -4.847 0.000 8.525) 9.806 27.963 ( 0.188 0.000 -8.200) 8.202 29.716 ( -2.518 0.000 3.306) 4.156 29.917 ( -2.352 0.000 -5.197) 5.704 30.611 ( -2.059 0.000 -0.326) 2.085 30.702 ( 0.848 0.000 -2.645) 2.778 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -6.492 5.774 19.378) 21.237 1.771 ( 3.265 3.275 24.514) 24.946 2.244 ( 2.139 0.810 -10.019) 10.277 2.472 ( 0.401 -6.283 1.477) 6.467 2.632 ( -8.652 5.204 8.215) 13.017 2.745 ( 1.021 4.956 0.026) 5.060 2.858 ( 1.032 -0.798 0.642) 1.454 2.907 ( 6.206 0.155 2.016) 6.527 2.981 ( -5.653 5.720 -0.155) 8.044 3.086 ( 1.138 -1.057 -6.488) 6.672 3.216 ( -0.784 -2.028 -4.054) 4.600 3.233 ( 0.539 1.282 0.937) 1.677 3.481 ( 1.754 -0.585 7.367) 7.596 3.528 ( -6.473 1.294 8.073) 10.428 3.604 ( -0.913 -3.829 4.908) 6.291 3.690 ( 3.159 6.249 13.778) 15.455 3.798 ( 4.608 2.326 -1.976) 5.528 4.070 ( -0.688 6.218 2.017) 6.573 4.305 ( 0.809 1.597 2.952) 3.453 4.321 ( -1.717 -0.454 1.918) 2.614 4.614 ( 1.633 4.447 5.536) 7.286 4.687 ( -2.520 9.493 8.305) 12.863 4.950 ( 4.453 -0.263 -6.884) 8.203 5.158 ( -2.855 -1.763 -13.406) 13.820 5.501 ( -1.870 -1.835 -2.187) 3.413 5.620 ( 5.373 -3.373 -6.559) 9.125 5.857 ( -4.263 -1.935 2.722) 5.415 5.930 ( 1.061 4.553 -1.318) 4.857 6.137 ( -0.942 -3.341 -1.813) 3.916 6.172 ( -5.149 -4.920 -1.469) 7.272 6.251 ( -1.959 3.634 3.320) 5.298 6.464 ( 1.034 1.148 -5.040) 5.271 6.597 ( -1.471 2.231 -2.015) 3.347 6.654 ( -2.101 3.661 -4.726) 6.337 7.248 ( 4.584 -3.944 -0.144) 6.049 7.282 ( -2.622 -6.270 -0.339) 6.804 7.560 ( 2.099 2.743 5.097) 6.157 7.689 ( 1.318 8.995 -0.981) 9.144 8.025 ( -0.417 3.269 3.521) 4.823 8.094 ( 5.600 3.931 4.929) 8.433 8.331 ( 0.904 3.128 -2.654) 4.200 8.343 ( -6.379 -0.349 -6.175) 8.885 8.723 ( -1.256 -1.541 -4.449) 4.873 8.755 ( -2.020 0.154 -7.030) 7.316 8.951 ( 6.467 2.833 6.399) 9.529 9.049 ( 2.480 -6.748 7.885) 10.670 9.239 ( -0.725 1.681 -3.418) 3.878 9.466 ( -5.927 -0.034 -11.317) 12.775 10.372 ( -3.616 -2.010 11.229) 11.967 10.541 ( -1.834 3.749 5.790) 7.138 10.815 ( 5.827 -0.198 -5.038) 7.706 10.824 ( 3.263 -1.785 -6.726) 7.686 10.919 ( -1.455 -0.063 -1.066) 1.805 11.049 ( -4.923 -1.844 -3.602) 6.372 11.447 ( -0.929 -12.555 12.855) 17.993 11.791 ( 7.975 -2.974 -1.191) 8.594 12.165 ( -4.099 1.872 4.600) 6.440 12.199 ( 3.298 -3.500 -2.807) 5.568 12.436 ( 3.590 0.434 1.164) 3.799 12.525 ( -3.871 4.676 -3.276) 6.898 12.753 ( 5.169 0.601 -7.417) 9.061 12.993 ( -8.513 7.477 -14.100) 18.088 13.131 ( 6.294 -11.530 0.025) 13.136 13.419 ( -3.655 -4.178 -11.178) 12.480 13.940 ( -6.331 1.203 5.253) 8.314 14.079 ( 0.837 0.974 0.699) 1.463 14.122 ( 2.206 0.634 11.802) 12.023 14.537 ( -0.710 -2.789 2.322) 3.698 14.604 ( 2.529 -4.446 -1.221) 5.258 14.789 ( -2.883 -1.772 -4.026) 5.259 15.035 ( 7.175 -6.229 6.631) 11.587 15.321 ( -9.296 2.441 -6.687) 11.708 15.851 ( 11.083 3.063 6.762) 13.339 16.081 ( -5.205 7.506 -6.388) 11.146 16.354 ( 4.487 2.966 3.222) 6.269 16.471 ( 4.085 2.241 0.850) 4.736 16.503 ( 1.161 2.085 2.689) 3.595 16.633 ( 0.440 -0.888 -0.034) 0.992 16.919 ( -3.845 -0.131 4.227) 5.715 17.129 ( -3.152 -3.484 -4.844) 6.748 24.702 ( 0.140 1.125 2.784) 3.006 24.807 ( -2.911 0.224 -2.350) 3.747 25.243 ( -1.728 0.291 6.149) 6.394 25.385 ( 1.749 -1.221 4.889) 5.334 25.634 ( -1.157 -0.093 -1.118) 1.612 25.673 ( -2.442 0.338 1.278) 2.777 25.941 ( 0.216 -3.172 4.655) 5.637 26.112 ( -4.852 -4.589 -3.520) 7.549 27.573 ( -5.358 -6.390 8.572) 11.959 27.592 ( 3.449 -0.885 5.018) 6.153 27.822 ( 4.388 -10.264 -4.102) 11.893 28.002 ( 6.613 -5.217 -8.111) 11.694 29.757 ( -3.036 2.797 0.443) 4.152 29.911 ( 4.069 2.933 -6.880) 8.514 30.694 ( -1.809 12.029 2.106) 12.346 30.848 ( 1.830 10.967 -4.609) 12.036 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 2.692 1.011 18.742) 18.961 1.985 ( 4.781 1.689 22.410) 22.976 2.273 ( 5.070 0.285 -8.468) 9.873 2.386 ( -7.047 -1.933 -7.265) 10.304 2.446 ( -12.548 0.458 5.264) 13.615 2.714 ( -6.322 2.915 5.872) 9.107 2.779 ( -10.347 8.362 -1.168) 13.355 2.897 ( -0.073 -0.619 -0.617) 0.878 3.044 ( 4.496 -3.430 2.242) 6.083 3.057 ( 0.747 -0.984 -6.412) 6.530 3.143 ( -4.737 -0.515 -3.712) 6.040 3.234 ( -2.183 2.747 3.627) 5.047 3.429 ( -6.312 -0.672 2.671) 6.886 3.539 ( 1.586 -0.389 4.825) 5.094 3.631 ( 2.135 -4.143 3.900) 6.077 3.748 ( -2.717 1.751 2.063) 3.835 3.975 ( -1.189 8.709 4.240) 9.759 3.995 ( 5.208 8.979 9.245) 13.901 4.309 ( -0.345 1.293 -0.670) 1.497 4.376 ( 1.965 -1.115 4.051) 4.638 4.633 ( -6.123 11.031 2.029) 12.778 4.675 ( -1.325 2.998 8.804) 9.394 4.934 ( -0.487 -3.092 -8.764) 9.306 5.065 ( -0.773 1.305 -9.284) 9.407 5.469 ( 0.156 -0.694 -0.873) 1.126 5.594 ( -2.060 -5.064 -6.571) 8.548 5.836 ( 0.507 -0.613 3.171) 3.269 5.945 ( 0.612 6.549 -2.482) 7.030 6.098 ( -1.518 -5.349 -0.366) 5.572 6.164 ( 1.994 -1.613 1.935) 3.213 6.249 ( -1.237 2.990 6.190) 6.985 6.442 ( 0.991 1.871 -3.410) 4.014 6.637 ( 9.320 1.200 -2.667) 9.768 6.725 ( 6.153 5.386 0.187) 8.180 7.133 ( -1.616 -9.762 -1.022) 9.948 7.424 ( 4.273 -6.171 -0.663) 7.536 7.679 ( 2.652 4.270 -1.411) 5.221 7.742 ( 9.148 6.167 1.657) 11.156 7.973 ( -6.918 6.179 5.305) 10.685 8.133 ( -1.895 1.444 -1.520) 2.826 8.154 ( -5.241 1.157 -4.722) 7.149 8.451 ( 6.950 5.749 -2.774) 9.437 8.672 ( -3.844 -0.139 -3.980) 5.535 8.698 ( -0.060 -4.622 0.661) 4.669 8.912 ( -10.339 -1.478 2.143) 10.662 9.127 ( 3.362 1.544 4.388) 5.739 9.176 ( -2.288 2.668 -7.406) 8.198 9.457 ( 5.712 -3.544 -0.241) 6.727 10.345 ( -2.775 0.130 8.235) 8.691 10.481 ( -7.227 4.261 4.651) 9.593 10.876 ( 2.125 1.853 -3.300) 4.340 10.895 ( 4.308 2.121 -6.338) 7.952 10.941 ( 2.486 -4.524 -2.266) 5.637 11.050 ( 9.385 -3.140 2.857) 10.301 11.502 ( 0.445 -14.484 8.237) 16.668 11.893 ( 5.371 -6.012 -6.577) 10.404 11.981 ( -11.629 -1.609 -2.555) 12.015 12.249 ( -6.057 -1.103 4.345) 7.535 12.391 ( -3.237 -2.073 -5.029) 6.330 12.515 ( 2.344 1.984 3.935) 4.992 12.777 ( -5.367 11.537 -12.217) 17.640 12.838 ( 4.408 4.384 -1.856) 6.488 13.244 ( 3.556 -10.097 0.524) 10.717 13.327 ( 2.516 -6.281 -9.764) 11.879 13.841 ( -4.466 2.696 6.825) 8.590 14.175 ( 5.863 2.019 2.606) 6.727 14.238 ( 1.797 -1.097 12.255) 12.435 14.399 ( -6.800 -1.215 -5.242) 8.672 14.691 ( -2.828 -3.181 -5.404) 6.878 14.775 ( 8.042 -4.559 3.651) 9.939 15.002 ( -10.584 -4.282 -2.792) 11.754 15.346 ( 10.413 -0.701 4.372) 11.315 15.742 ( -13.921 8.914 -4.885) 17.237 16.151 ( 6.472 5.908 0.035) 8.763 16.321 ( -5.751 -0.686 -2.415) 6.275 16.511 ( 0.181 -0.437 0.225) 0.523 16.575 ( -2.050 -0.422 -1.974) 2.877 16.626 ( 3.924 5.031 -1.401) 6.532 16.964 ( 4.467 0.383 8.180) 9.328 17.103 ( 2.750 -3.236 -1.927) 4.664 24.762 ( 4.196 0.896 3.455) 5.509 24.799 ( 2.778 0.573 -0.505) 2.881 25.224 ( -3.979 -0.027 6.204) 7.370 25.422 ( 0.321 -0.153 -0.091) 0.367 25.605 ( -2.172 -0.705 2.810) 3.621 25.663 ( 0.732 0.726 3.037) 3.207 25.965 ( -0.749 -4.792 4.745) 6.786 26.043 ( -1.257 -1.429 -0.360) 1.937 27.459 ( -8.863 -4.919 4.551) 11.112 27.667 ( 1.647 -0.662 5.231) 5.524 27.832 ( -0.542 -2.821 -5.859) 6.525 28.066 ( 4.620 -13.922 -11.348) 18.546 29.710 ( -2.077 0.879 2.391) 3.287 29.957 ( 4.295 1.891 -7.570) 8.906 30.675 ( -1.634 11.120 3.269) 11.706 30.867 ( 2.765 12.047 -5.125) 13.381 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 6.916 -3.267 13.726) 15.713 2.054 ( -14.679 -6.283 10.532) 19.128 2.168 ( -2.701 1.449 6.697) 7.365 2.273 ( -4.594 4.119 0.320) 6.178 2.424 ( 7.651 1.260 -1.344) 7.870 2.607 ( -6.789 3.844 2.447) 8.176 2.616 ( -5.838 10.348 0.337) 11.886 2.897 ( 0.152 -2.143 -0.648) 2.244 2.979 ( -4.446 -8.668 -8.677) 13.046 2.996 ( -4.032 4.712 -5.425) 8.240 3.127 ( 0.063 0.837 3.386) 3.488 3.203 ( -3.113 5.786 2.574) 7.056 3.364 ( -2.722 1.287 4.448) 5.372 3.555 ( -4.745 0.069 0.892) 4.829 3.621 ( -4.322 0.079 7.238) 8.431 3.762 ( 5.963 2.505 2.624) 6.980 3.960 ( 2.797 9.135 -6.929) 11.802 4.107 ( -5.541 6.311 6.590) 10.675 4.267 ( -1.625 5.441 0.041) 5.678 4.445 ( 1.936 3.736 6.235) 7.522 4.522 ( -5.744 6.340 3.181) 9.127 4.637 ( -5.348 -1.413 6.279) 8.368 4.887 ( -0.483 -2.252 -4.855) 5.374 5.026 ( 1.478 3.292 -7.254) 8.102 5.492 ( 1.523 -4.429 2.102) 5.134 5.578 ( 3.954 -7.135 -4.287) 9.215 5.882 ( 2.265 -1.753 3.104) 4.224 5.947 ( 1.222 5.267 -0.976) 5.494 6.065 ( -2.455 -5.060 0.518) 5.648 6.182 ( -2.397 -2.836 3.094) 4.833 6.287 ( 2.155 4.402 5.214) 7.156 6.478 ( 3.736 3.280 -0.982) 5.068 6.809 ( 3.616 4.272 2.475) 6.120 6.875 ( 14.327 6.626 -2.982) 16.065 7.221 ( 9.656 -12.275 -1.375) 15.678 7.435 ( -1.880 -5.378 -0.031) 5.697 7.609 ( -4.709 2.540 -4.946) 7.286 7.815 ( -9.748 -2.196 -5.062) 11.201 7.966 ( 8.657 4.386 0.621) 9.725 8.053 ( -3.089 0.166 0.125) 3.096 8.193 ( 6.895 6.040 4.497) 10.210 8.466 ( -2.951 0.475 -4.548) 5.442 8.568 ( -4.356 -0.822 1.189) 4.589 8.697 ( -2.715 -3.944 0.514) 4.816 8.773 ( -2.794 0.587 -1.383) 3.173 9.102 ( 1.736 5.022 -9.603) 10.975 9.251 ( 3.099 2.392 7.838) 8.761 9.517 ( 0.364 -3.449 1.044) 3.622 10.338 ( -6.022 3.358 5.916) 9.085 10.415 ( 2.758 2.151 2.383) 4.232 10.869 ( -3.013 0.184 -1.699) 3.464 10.905 ( 1.564 -1.364 -0.704) 2.191 11.010 ( 7.171 2.107 -2.509) 7.884 11.294 ( 8.932 -5.856 8.184) 13.455 11.511 ( -3.636 -9.695 -3.085) 10.805 11.804 ( -1.346 -7.357 -4.630) 8.797 11.929 ( 1.120 -7.269 -5.044) 8.918 12.042 ( -11.238 -1.279 1.642) 11.429 12.386 ( 0.136 -1.617 2.391) 2.890 12.561 ( 0.975 3.195 2.492) 4.167 12.639 ( -1.815 11.062 -11.911) 16.356 12.853 ( -4.043 6.198 -2.480) 7.805 13.257 ( 4.733 -0.839 -4.701) 6.723 13.450 ( 8.613 -8.373 1.026) 12.056 13.884 ( 3.544 -3.234 8.322) 9.605 14.172 ( -7.076 -3.049 -3.769) 8.578 14.280 ( 2.520 3.653 0.856) 4.520 14.371 ( -1.878 -0.301 9.209) 9.404 14.600 ( -3.154 -10.401 -6.423) 12.625 14.814 ( -1.979 2.478 -0.492) 3.209 14.934 ( 3.307 -6.124 -0.483) 6.976 15.399 ( -11.954 1.369 -0.902) 12.066 15.621 ( 9.110 8.893 -0.103) 12.731 16.150 ( -6.401 0.942 -4.322) 7.780 16.254 ( 0.291 2.780 4.264) 5.098 16.461 ( -5.974 2.146 -0.461) 6.365 16.500 ( -0.503 0.004 -4.205) 4.235 16.670 ( 1.457 4.742 -6.217) 7.954 17.104 ( 4.624 -0.995 7.530) 8.892 17.189 ( 5.442 -1.707 1.309) 5.851 24.869 ( 5.187 0.197 2.271) 5.666 24.892 ( 5.689 1.365 2.655) 6.425 25.161 ( -5.985 -0.584 5.824) 8.371 25.397 ( -1.321 0.380 -4.236) 4.454 25.598 ( -0.239 -0.307 3.420) 3.442 25.708 ( 0.804 -1.489 4.273) 4.596 25.987 ( 1.967 -5.441 4.126) 7.106 26.040 ( -1.067 -2.128 4.008) 4.662 27.335 ( -5.907 -2.329 2.959) 7.005 27.686 ( -3.064 -1.195 -2.393) 4.068 27.767 ( -1.187 1.122 -2.959) 3.380 28.051 ( 0.170 -10.993 -8.742) 14.046 29.713 ( 0.259 -1.330 3.784) 4.019 29.978 ( 2.431 -0.828 -7.841) 8.250 30.671 ( -0.910 9.833 3.860) 10.603 30.889 ( 2.736 12.406 -6.158) 14.118 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -13.771 -1.752 12.037) 18.374 2.075 ( -5.757 -2.768 12.055) 13.643 2.106 ( -5.612 4.635 8.911) 11.506 2.306 ( 8.049 -2.074 6.502) 10.553 2.487 ( -2.069 3.512 -4.316) 5.937 2.558 ( 1.538 14.130 -3.523) 14.644 2.616 ( 5.763 1.674 4.886) 7.738 2.819 ( -3.990 -3.566 -1.679) 5.609 2.943 ( 3.125 -1.203 -0.673) 3.416 2.978 ( 2.806 5.879 -4.405) 7.864 3.087 ( -3.565 3.372 -1.851) 5.245 3.142 ( -3.163 3.506 -2.375) 5.286 3.351 ( -2.180 1.089 5.146) 5.693 3.463 ( -2.040 -2.135 -0.903) 3.088 3.621 ( -2.612 4.650 10.131) 11.449 3.862 ( -1.995 4.147 4.939) 6.751 3.960 ( -1.085 13.501 2.211) 13.724 3.979 ( -4.432 7.388 0.816) 8.654 4.226 ( 0.278 -2.375 -8.856) 9.173 4.455 ( -0.358 -0.228 -5.532) 5.548 4.482 ( -4.521 2.776 15.507) 16.389 4.620 ( -1.880 4.510 10.668) 11.733 4.868 ( 0.332 -0.230 -2.157) 2.195 5.056 ( 6.628 3.173 -9.031) 11.643 5.530 ( 0.566 -8.643 2.070) 8.905 5.645 ( 3.717 -6.720 -2.842) 8.189 5.946 ( 2.939 -3.789 2.834) 5.570 5.968 ( -0.314 2.509 0.947) 2.700 6.048 ( 1.543 -3.666 1.131) 4.135 6.134 ( -2.112 -4.396 -0.050) 4.877 6.351 ( 1.148 5.886 5.200) 7.937 6.534 ( 2.232 3.232 -2.494) 4.652 6.862 ( -0.998 3.035 4.342) 5.390 7.073 ( 8.541 11.108 -6.825) 15.586 7.369 ( 1.149 -4.348 -1.457) 4.728 7.414 ( 4.578 -10.680 2.221) 11.830 7.480 ( -7.251 0.263 -5.230) 8.944 7.580 ( -10.077 -5.061 -5.514) 12.553 8.027 ( 3.026 -1.968 3.153) 4.793 8.109 ( 2.162 0.929 4.640) 5.203 8.312 ( 2.336 0.798 -2.094) 3.237 8.336 ( -4.216 -2.095 -6.115) 7.717 8.609 ( 3.884 1.232 3.653) 5.472 8.622 ( -3.159 1.197 4.023) 5.253 8.785 ( 4.048 0.258 -2.056) 4.548 9.055 ( -1.404 4.603 -12.930) 13.796 9.329 ( 0.789 4.848 7.032) 8.578 9.526 ( 1.653 -2.157 0.282) 2.732 10.262 ( -4.445 2.433 6.085) 7.919 10.525 ( 7.266 0.499 -1.800) 7.502 10.779 ( -6.603 0.622 3.324) 7.419 10.933 ( 0.904 -2.068 -0.216) 2.267 11.154 ( 8.726 0.219 -0.582) 8.748 11.315 ( -9.581 -2.949 -6.632) 12.020 11.408 ( -2.765 -10.154 9.189) 13.971 11.780 ( -6.608 -1.802 0.271) 6.855 11.951 ( 10.245 -7.669 -3.094) 13.166 12.001 ( 3.246 -5.476 -4.054) 7.547 12.381 ( -2.382 -0.530 1.902) 3.094 12.591 ( 3.665 5.462 -6.850) 9.497 12.611 ( 3.895 7.625 -2.924) 9.048 12.704 ( -6.622 6.595 -6.021) 11.117 13.378 ( 7.194 1.241 3.091) 7.928 13.593 ( 5.055 -2.937 -2.586) 6.392 13.964 ( 0.942 -7.597 2.814) 8.156 14.079 ( -1.942 -6.232 1.695) 6.744 14.249 ( -6.223 0.861 -2.318) 6.697 14.306 ( -2.373 0.170 -2.139) 3.199 14.577 ( 0.062 -10.362 6.449) 12.205 14.864 ( 2.411 2.809 3.470) 5.074 14.964 ( 4.457 -2.726 -3.436) 6.254 15.172 ( -10.091 3.235 -4.021) 11.334 15.811 ( 9.146 6.402 2.985) 11.556 15.992 ( -7.441 1.796 -5.260) 9.288 16.278 ( -2.476 0.601 8.494) 8.868 16.372 ( -1.983 2.483 0.743) 3.263 16.483 ( 0.730 3.916 -3.891) 5.569 16.630 ( -0.745 3.630 -8.559) 9.327 17.180 ( -0.526 -1.277 5.652) 5.818 17.279 ( 3.082 -1.381 0.704) 3.450 24.937 ( -2.366 1.025 3.210) 4.118 24.991 ( 3.454 1.824 1.588) 4.217 25.110 ( -0.725 -1.395 6.335) 6.527 25.344 ( -1.336 -1.373 -5.279) 5.616 25.629 ( 1.317 0.026 3.693) 3.921 25.714 ( -1.252 -1.717 0.343) 2.152 26.024 ( -3.240 -3.046 4.482) 6.314 26.101 ( 7.029 -10.112 5.091) 13.326 27.294 ( -0.461 0.185 4.216) 4.245 27.532 ( -7.139 1.779 -9.236) 11.808 27.780 ( 0.249 1.524 4.489) 4.747 28.000 ( -0.908 -7.149 -6.554) 9.741 29.744 ( 0.583 -1.116 3.743) 3.949 29.968 ( 1.131 -2.700 -7.676) 8.215 30.681 ( -0.231 9.028 3.771) 9.787 30.899 ( 1.999 11.974 -7.163) 14.096 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -9.671 1.640 18.543) 20.978 1.889 ( -14.505 11.018 16.259) 24.416 2.181 ( 5.090 -3.685 3.973) 7.435 2.387 ( -1.918 -2.284 -3.503) 4.601 2.556 ( 8.825 1.731 5.181) 10.379 2.611 ( 3.408 13.273 2.560) 13.940 2.716 ( 3.380 6.927 1.766) 7.908 2.788 ( 1.213 -5.570 -3.467) 6.672 3.002 ( 0.034 9.281 1.293) 9.371 3.023 ( 4.715 4.265 -2.757) 6.930 3.086 ( 5.485 -0.246 -2.224) 5.924 3.122 ( 4.924 -4.409 0.432) 6.624 3.332 ( -2.651 -1.533 5.882) 6.631 3.455 ( -0.205 2.127 2.127) 3.015 3.624 ( -2.517 4.589 9.217) 10.599 3.747 ( -10.771 7.523 12.169) 17.908 3.895 ( -4.046 4.688 -2.609) 6.720 3.990 ( -0.332 8.438 0.950) 8.498 4.260 ( 7.738 -2.828 -8.266) 11.671 4.423 ( -0.894 0.990 -3.035) 3.316 4.478 ( -3.115 4.049 11.658) 12.728 4.659 ( -0.791 5.246 12.616) 13.686 4.863 ( 0.753 0.683 -3.584) 3.726 5.160 ( 9.735 1.723 -10.755) 14.608 5.515 ( -2.882 -10.155 0.823) 10.588 5.649 ( -1.109 -4.125 -4.322) 6.077 5.949 ( -1.410 -1.052 0.885) 1.969 6.002 ( -1.668 -7.224 0.718) 7.449 6.067 ( 3.624 0.081 0.535) 3.664 6.195 ( 6.374 -3.531 0.215) 7.289 6.370 ( -2.090 5.705 4.492) 7.556 6.519 ( -1.247 3.226 -5.395) 6.409 6.799 ( -6.539 2.851 0.006) 7.134 7.051 ( -5.936 3.958 -10.319) 12.545 7.262 ( -10.668 -2.349 -4.486) 11.809 7.365 ( -0.107 2.081 4.794) 5.228 7.448 ( -0.497 -0.677 -0.332) 0.903 7.608 ( 9.698 -8.711 4.583) 13.818 8.059 ( -7.957 -5.232 -5.096) 10.801 8.132 ( 0.522 2.586 3.178) 4.131 8.197 ( -0.083 -2.074 -0.174) 2.083 8.431 ( 7.161 0.062 -0.438) 7.175 8.596 ( 0.916 -2.774 4.678) 5.515 8.719 ( 4.301 6.464 1.864) 7.985 8.862 ( 3.396 -0.454 -2.460) 4.217 8.929 ( -3.134 4.233 -12.928) 13.960 9.355 ( -1.675 3.561 5.618) 6.860 9.587 ( 4.677 -0.881 -3.189) 5.729 10.249 ( -0.376 -0.111 6.418) 6.430 10.611 ( 0.881 1.167 -5.453) 5.646 10.699 ( -1.619 -0.183 6.384) 6.589 10.927 ( -1.232 -1.921 -0.561) 2.350 11.095 ( -8.491 -2.030 -6.624) 10.959 11.312 ( 5.359 -2.581 2.994) 6.659 11.386 ( -3.690 -11.491 8.004) 14.482 11.659 ( -6.727 2.371 0.098) 7.133 12.026 ( 0.633 -1.305 1.177) 1.868 12.105 ( 8.781 -6.229 -10.787) 15.240 12.362 ( 1.884 1.283 -0.612) 2.360 12.556 ( -2.335 4.363 -3.533) 6.080 12.682 ( 5.077 3.580 -5.800) 8.499 12.747 ( 11.089 4.399 -0.285) 11.934 13.441 ( -4.127 -1.659 -6.796) 8.122 13.608 ( 2.883 5.007 -4.082) 7.074 13.969 ( -5.691 -2.693 -1.240) 6.417 14.074 ( 4.258 -11.755 5.162) 13.526 14.182 ( -0.456 -1.843 2.710) 3.309 14.262 ( -1.965 -5.654 0.583) 6.014 14.654 ( 1.806 -5.725 10.427) 12.032 14.853 ( -0.324 -3.257 -6.798) 7.545 14.976 ( -4.804 3.327 -3.269) 6.696 15.148 ( 9.426 5.327 7.092) 12.943 15.814 ( -8.727 1.481 -5.902) 10.639 15.986 ( 8.087 4.750 3.244) 9.924 16.253 ( -2.587 1.567 7.036) 7.659 16.409 ( 1.481 0.191 4.143) 4.403 16.460 ( -0.825 8.082 -3.751) 8.949 16.590 ( 1.446 1.960 -6.054) 6.526 17.144 ( -5.844 -1.407 3.624) 7.018 17.297 ( -1.059 -1.877 -1.389) 2.564 24.837 ( -7.496 1.032 2.572) 7.992 25.015 ( -2.056 1.553 -0.800) 2.698 25.172 ( 1.978 -0.257 5.969) 6.293 25.307 ( -0.059 -3.162 -1.696) 3.588 25.676 ( 1.286 -0.232 3.562) 3.794 25.686 ( -0.926 -0.960 -1.780) 2.225 25.973 ( -4.142 -3.066 3.510) 6.236 26.244 ( 5.083 -15.380 -1.279) 16.249 27.351 ( 3.007 0.008 6.690) 7.335 27.413 ( -0.276 3.305 -1.548) 3.660 27.801 ( -0.954 0.900 4.793) 4.970 27.957 ( -0.026 -4.057 -5.551) 6.875 29.768 ( 0.357 1.259 2.140) 2.508 29.943 ( 0.313 -2.775 -6.971) 7.510 30.699 ( 0.079 9.187 2.931) 9.643 30.885 ( 0.717 11.565 -7.274) 13.682 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -4.017 3.921 22.178) 22.877 1.738 ( -11.781 9.405 18.007) 23.484 2.289 ( 0.829 2.013 -7.547) 7.855 2.358 ( 4.809 -7.536 6.229) 10.896 2.670 ( -0.568 9.430 8.494) 12.704 2.706 ( 4.232 7.212 0.376) 8.370 2.801 ( 4.348 0.624 1.934) 4.800 2.811 ( 3.812 -3.524 -3.100) 6.047 3.017 ( 0.786 4.816 -1.136) 5.011 3.070 ( 3.758 1.905 -4.491) 6.158 3.170 ( 3.974 -2.035 -1.345) 4.663 3.251 ( 1.440 0.096 0.001) 1.443 3.394 ( 3.452 -0.592 14.256) 14.680 3.479 ( 3.101 3.297 7.940) 9.140 3.611 ( -7.837 6.781 12.792) 16.463 3.652 ( -2.299 1.498 5.896) 6.503 3.815 ( -0.948 0.999 -8.815) 8.922 3.993 ( 1.267 3.400 4.728) 5.960 4.332 ( 1.529 -0.156 -2.008) 2.529 4.366 ( -4.563 6.166 -0.265) 7.675 4.526 ( 3.238 4.401 6.633) 8.594 4.697 ( -2.935 6.323 10.947) 12.978 4.882 ( 4.772 0.372 -5.795) 7.516 5.250 ( 3.623 -2.271 -13.142) 13.820 5.482 ( 2.059 -6.726 0.037) 7.034 5.592 ( -1.451 -2.506 -4.510) 5.360 5.919 ( -3.265 -3.272 2.314) 5.170 5.948 ( -1.763 -0.175 -2.124) 2.765 6.146 ( 2.532 -3.708 -1.357) 4.690 6.264 ( -0.679 3.490 2.450) 4.318 6.307 ( -5.492 -2.773 -2.125) 6.510 6.465 ( -0.460 3.967 -4.612) 6.101 6.674 ( -4.846 1.269 -3.269) 5.982 6.838 ( -10.291 3.249 -8.200) 13.553 7.125 ( 0.005 -1.749 -0.495) 1.817 7.375 ( -2.036 -2.140 3.177) 4.338 7.498 ( 3.219 2.774 4.051) 5.871 7.778 ( -4.523 0.619 -1.646) 4.853 7.862 ( 3.403 -1.265 3.126) 4.791 8.096 ( -2.294 3.146 -0.994) 4.019 8.277 ( 3.688 0.369 1.447) 3.979 8.487 ( -2.318 -0.478 -1.586) 2.849 8.724 ( 7.924 -2.727 3.790) 9.197 8.804 ( 2.674 1.945 -0.310) 3.321 8.808 ( 0.978 1.936 -13.936) 14.103 8.909 ( 2.701 -0.226 4.726) 5.448 9.318 ( -4.864 1.676 2.819) 5.866 9.606 ( -0.492 -0.994 -9.667) 9.731 10.313 ( 2.769 -2.256 7.482) 8.291 10.554 ( -4.035 4.165 6.097) 8.414 10.752 ( 4.454 -1.445 -4.839) 6.734 10.875 ( -3.956 -1.989 -2.329) 5.003 10.958 ( -2.029 -0.541 -5.196) 5.604 11.236 ( -11.659 -4.650 -1.356) 12.625 11.407 ( -1.859 -9.105 12.227) 15.357 11.641 ( 6.679 0.470 -0.597) 6.722 12.076 ( 3.732 5.195 3.669) 7.374 12.192 ( 5.029 -6.428 -4.380) 9.262 12.403 ( 1.274 0.040 -1.271) 1.800 12.540 ( 2.108 5.562 -2.961) 6.644 12.723 ( 3.067 0.618 -7.186) 7.837 12.969 ( 11.132 -3.270 0.232) 11.605 13.240 ( -8.681 2.287 -14.924) 17.416 13.558 ( -4.465 -0.372 -9.613) 10.606 13.965 ( 0.994 0.024 6.160) 6.240 14.032 ( -2.659 -3.596 1.869) 4.848 14.182 ( -6.057 -4.147 1.996) 7.607 14.378 ( 8.921 -4.551 9.905) 14.086 14.665 ( -2.372 -7.896 1.077) 8.314 14.803 ( -0.384 -2.439 -2.940) 3.840 14.963 ( 1.179 0.516 -2.291) 2.628 15.416 ( 11.306 10.855 8.812) 17.981 15.625 ( -4.543 -3.536 -4.281) 7.174 16.139 ( 5.213 1.311 2.693) 6.012 16.273 ( -0.142 6.246 3.058) 6.956 16.379 ( 0.714 5.000 -0.158) 5.053 16.494 ( 1.200 3.864 2.739) 4.886 16.609 ( 2.143 -0.644 -1.712) 2.817 17.024 ( -8.003 -1.315 2.536) 8.498 17.231 ( -4.216 -2.762 -3.785) 6.303 24.732 ( -4.725 1.047 2.400) 5.402 24.915 ( -6.040 0.296 -3.705) 7.091 25.225 ( 0.250 0.310 5.872) 5.886 25.329 ( 1.319 -2.156 4.070) 4.791 25.660 ( -0.521 -0.502 -2.889) 2.978 25.700 ( -1.002 -0.370 2.830) 3.025 25.930 ( -1.905 -2.626 3.385) 4.689 26.230 ( -3.715 -10.968 -5.716) 12.914 27.483 ( 6.028 -2.295 2.922) 7.081 27.497 ( 6.202 -4.572 9.952) 12.586 27.791 ( -1.001 -4.164 0.619) 4.327 27.951 ( 2.333 0.139 -4.181) 4.790 29.782 ( 0.265 3.576 0.229) 3.593 29.908 ( 0.202 -0.528 -6.417) 6.442 30.708 ( -0.595 10.803 1.838) 10.974 30.856 ( 0.310 11.029 -5.762) 12.448 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -11.729 9.284 13.051) 19.851 1.929 ( 5.196 11.019 16.025) 20.130 2.251 ( 1.880 0.530 -7.574) 7.822 2.425 ( 1.717 0.429 -3.166) 3.627 2.622 ( -10.418 -5.168 4.766) 12.568 2.752 ( 5.599 -6.658 -2.643) 9.092 2.823 ( 0.915 -0.102 -0.487) 1.041 2.876 ( 0.870 -6.603 0.217) 6.664 3.081 ( 3.367 5.944 -3.694) 7.766 3.142 ( -7.037 5.735 -1.621) 9.221 3.177 ( -1.033 0.751 -1.563) 2.018 3.313 ( 0.424 4.541 -4.749) 6.584 3.453 ( -1.613 -5.255 2.132) 5.896 3.504 ( -7.142 -0.564 4.010) 8.210 3.603 ( -4.058 2.767 5.026) 7.027 3.772 ( 3.975 0.078 -5.986) 7.186 3.957 ( 9.021 13.810 18.198) 24.561 4.198 ( 2.185 8.458 10.906) 13.973 4.376 ( -1.833 5.247 1.248) 5.697 4.472 ( -5.351 9.157 0.518) 10.619 4.684 ( -0.491 2.402 7.301) 7.701 4.878 ( -1.167 9.026 3.093) 9.613 4.903 ( 3.689 -2.913 -2.787) 5.464 5.095 ( 0.509 -4.021 -2.744) 4.895 5.448 ( -1.405 -4.913 -1.095) 5.226 5.566 ( 6.046 -2.575 -5.962) 8.873 5.770 ( -2.682 -4.504 3.590) 6.353 5.925 ( 1.479 -9.170 -2.717) 9.678 6.067 ( -2.740 1.764 2.561) 4.145 6.118 ( -1.693 -0.756 -2.970) 3.502 6.369 ( -1.777 6.914 0.409) 7.151 6.526 ( -0.029 4.243 -5.849) 7.226 6.644 ( 1.589 0.813 0.705) 1.919 6.705 ( -5.481 1.977 -3.511) 6.802 7.168 ( -8.181 -2.636 -0.586) 8.615 7.205 ( 7.473 -2.005 -2.931) 8.274 7.630 ( 4.530 4.227 8.476) 10.499 7.875 ( 1.370 8.580 0.078) 8.689 8.104 ( -0.898 3.633 3.566) 5.169 8.204 ( 14.281 3.712 2.850) 15.028 8.265 ( -6.257 -3.420 -2.041) 7.417 8.398 ( -2.538 2.531 1.744) 3.986 8.672 ( -0.368 -4.725 -4.445) 6.498 8.780 ( -0.650 2.011 -13.625) 13.787 8.895 ( 1.899 -6.562 8.346) 10.786 9.045 ( 4.937 5.880 6.308) 9.937 9.246 ( -2.437 -1.251 -7.341) 7.835 9.444 ( -5.399 -2.240 -8.587) 10.387 10.352 ( -1.550 0.087 10.084) 10.203 10.584 ( 3.323 -1.292 1.188) 3.758 10.705 ( -3.985 -2.692 1.604) 5.069 10.867 ( 5.659 0.202 -4.641) 7.321 10.951 ( -1.403 1.667 -2.138) 3.052 11.043 ( -2.391 1.560 -1.737) 3.342 11.241 ( -2.429 -4.725 7.395) 9.106 11.681 ( 2.695 -6.175 -8.625) 10.945 12.074 ( 4.816 -5.557 -0.506) 7.370 12.219 ( -4.134 2.145 -1.131) 4.793 12.397 ( 7.162 -6.031 -0.618) 9.383 12.590 ( -10.901 -3.669 -6.795) 13.359 12.752 ( 5.497 2.583 3.139) 6.837 12.968 ( -1.358 -2.855 -0.053) 3.162 13.093 ( -0.875 2.617 -7.370) 7.870 13.369 ( -4.313 0.186 -11.740) 12.509 13.960 ( -5.640 -0.270 7.671) 9.525 14.078 ( 4.221 -0.263 5.618) 7.032 14.119 ( 2.928 -0.376 6.585) 7.216 14.484 ( 3.467 -6.695 -2.712) 8.012 14.528 ( 0.793 1.456 2.038) 2.627 14.711 ( -1.117 -4.712 -3.972) 6.264 14.982 ( 2.291 2.243 8.900) 9.460 15.348 ( -9.600 -1.156 -7.187) 12.048 15.956 ( 12.543 6.552 8.779) 16.653 16.169 ( -0.862 1.538 -1.935) 2.618 16.466 ( -4.401 6.180 -0.110) 7.588 16.497 ( 3.167 0.493 1.738) 3.646 16.549 ( -1.894 1.393 -1.992) 3.082 16.641 ( 5.386 2.100 -0.971) 5.862 16.898 ( -0.910 -2.054 1.033) 2.473 17.029 ( -3.812 -5.730 -3.601) 7.768 24.736 ( 0.076 2.035 2.295) 3.068 24.812 ( -2.586 0.170 -1.258) 2.881 25.253 ( -1.492 0.784 5.702) 5.946 25.354 ( 2.458 -1.646 4.511) 5.394 25.630 ( -1.518 -0.239 0.473) 1.608 25.676 ( -1.043 -0.278 1.083) 1.529 25.859 ( -0.990 -3.668 3.565) 5.210 25.998 ( -0.287 -5.705 -1.726) 5.967 27.428 ( -1.243 -5.511 4.576) 7.270 27.532 ( 0.608 -6.649 -1.091) 6.765 27.674 ( 1.962 -0.555 4.406) 4.856 27.913 ( 0.006 -4.465 -6.047) 7.516 29.811 ( -2.549 2.647 1.470) 3.957 29.934 ( 2.684 -0.291 -3.915) 4.756 30.991 ( 0.174 13.324 -3.496) 13.776 31.073 ( 2.578 9.387 -5.459) 11.161 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -3.709 2.395 16.786) 17.356 2.101 ( 3.244 8.615 12.713) 15.696 2.276 ( -5.132 -7.076 -3.233) 9.320 2.318 ( -0.410 2.220 -3.972) 4.568 2.475 ( -5.120 2.969 -0.836) 5.977 2.788 ( -3.114 0.220 1.422) 3.430 2.834 ( -0.543 -0.473 0.006) 0.720 2.878 ( -2.194 -8.634 -0.068) 8.909 2.975 ( -6.532 6.506 -1.776) 9.389 3.106 ( -1.766 -2.737 -5.560) 6.444 3.127 ( 1.188 6.200 2.903) 6.949 3.291 ( -0.981 2.040 -0.810) 2.404 3.394 ( -4.505 -2.060 1.897) 5.305 3.499 ( 3.906 -6.298 4.356) 8.596 3.608 ( 1.501 3.425 3.307) 4.992 3.803 ( -0.011 2.049 -2.620) 3.326 4.169 ( 1.983 11.178 11.844) 16.406 4.262 ( 0.795 13.575 1.870) 13.726 4.378 ( 0.517 5.167 6.214) 8.098 4.431 ( 2.430 5.254 4.884) 7.574 4.700 ( -3.633 -0.626 6.724) 7.668 4.820 ( -6.492 6.567 -0.416) 9.243 4.900 ( -0.796 1.388 -4.670) 4.936 5.088 ( 1.080 1.116 -4.676) 4.927 5.406 ( -2.143 -6.285 0.462) 6.657 5.544 ( -3.791 -0.464 -5.861) 6.995 5.769 ( 0.230 -5.805 2.029) 6.154 5.919 ( -0.355 -11.431 -0.447) 11.445 6.066 ( 0.825 4.508 -1.260) 4.753 6.150 ( 2.634 1.347 1.941) 3.538 6.352 ( -0.367 6.637 2.976) 7.283 6.521 ( 2.240 5.059 -2.620) 6.121 6.655 ( 7.416 0.028 -3.275) 8.107 6.788 ( 8.332 -2.947 3.354) 9.453 7.004 ( -6.529 1.564 -0.915) 6.776 7.331 ( 5.491 -3.288 -1.562) 6.588 7.761 ( -1.252 3.295 -0.452) 3.553 7.855 ( 4.020 2.684 3.378) 5.897 8.008 ( -9.693 0.813 -1.638) 9.864 8.204 ( -2.405 4.647 -0.140) 5.234 8.285 ( -1.321 10.270 -1.229) 10.427 8.502 ( 9.770 -3.558 2.948) 10.807 8.607 ( -4.605 -0.648 -5.228) 6.997 8.686 ( -1.969 -0.092 -9.401) 9.606 8.859 ( -8.491 -3.119 3.271) 9.619 9.152 ( 3.357 -1.447 5.413) 6.532 9.230 ( 1.722 2.577 -6.878) 7.544 9.369 ( 2.733 -3.369 -1.232) 4.510 10.374 ( 0.604 2.786 6.849) 7.419 10.576 ( -6.592 4.970 4.128) 9.230 10.791 ( 9.840 -7.976 -0.427) 12.673 10.896 ( 0.188 1.448 -2.856) 3.208 10.975 ( 7.123 -0.765 -3.422) 7.939 11.030 ( 0.014 1.966 3.131) 3.697 11.247 ( -0.007 -6.385 3.127) 7.109 11.687 ( 3.217 -10.851 -6.483) 13.043 11.970 ( -11.996 -0.138 -8.068) 14.458 12.171 ( -5.229 -5.254 2.430) 7.801 12.342 ( -5.087 -3.671 -4.805) 7.902 12.568 ( 5.903 0.494 4.949) 7.719 12.855 ( 0.634 -5.467 0.511) 5.527 12.928 ( 0.703 4.173 -2.643) 4.989 13.115 ( 4.607 2.230 3.340) 6.112 13.269 ( -0.031 0.127 -10.895) 10.896 13.878 ( -5.778 0.898 5.740) 8.194 14.148 ( -1.557 -5.362 9.716) 11.206 14.242 ( 6.898 1.915 0.341) 7.167 14.406 ( -3.720 1.301 -5.638) 6.879 14.582 ( -4.527 -4.830 -3.717) 7.592 14.666 ( 4.015 -4.710 1.503) 6.369 14.990 ( -6.924 2.307 1.581) 7.468 15.310 ( 5.743 -3.260 4.021) 7.732 15.949 ( -7.483 10.335 -4.606) 13.566 16.254 ( 3.639 2.883 -0.485) 4.668 16.342 ( -5.103 3.015 0.797) 5.981 16.507 ( -0.575 0.206 -1.059) 1.223 16.558 ( -1.187 -1.368 0.816) 1.987 16.720 ( 5.117 2.842 -4.769) 7.550 16.968 ( 4.769 -0.103 3.716) 6.047 17.012 ( 4.670 -4.793 -0.757) 6.735 24.785 ( 3.321 1.199 2.513) 4.334 24.815 ( 3.164 0.842 0.682) 3.345 25.234 ( -3.649 1.249 4.588) 5.994 25.406 ( 1.015 -1.586 1.369) 2.328 25.598 ( -2.362 0.125 2.703) 3.592 25.671 ( -0.172 -0.222 1.361) 1.389 25.858 ( -1.210 -4.304 3.827) 5.885 25.986 ( -0.051 -3.869 -1.514) 4.155 27.364 ( -5.086 -3.233 2.384) 6.482 27.602 ( 4.727 -7.509 1.186) 8.952 27.738 ( 1.591 -3.054 5.479) 6.472 27.857 ( -1.605 -5.321 -9.121) 10.681 29.763 ( -3.174 3.609 2.241) 5.303 29.948 ( 0.998 -1.607 -3.949) 4.379 30.964 ( -0.923 13.504 -2.400) 13.746 31.100 ( 3.177 9.130 -6.299) 11.538 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 2.890 -2.345 17.202) 17.600 2.015 ( -15.326 -1.077 5.546) 16.334 2.166 ( -0.336 1.600 5.748) 5.977 2.405 ( -3.586 6.234 4.304) 8.381 2.464 ( 9.929 2.439 -1.602) 10.349 2.702 ( -5.667 4.420 0.425) 7.199 2.776 ( -5.696 -7.023 -1.211) 9.123 2.828 ( 1.003 3.582 -2.116) 4.280 2.863 ( -4.573 3.351 -1.121) 5.779 3.090 ( 2.120 2.804 -2.965) 4.599 3.185 ( 2.251 4.585 5.160) 7.260 3.288 ( 1.384 1.192 -1.640) 2.455 3.366 ( -0.605 -0.874 2.274) 2.510 3.553 ( -4.082 -0.807 1.056) 4.293 3.671 ( 1.917 3.603 5.177) 6.592 3.784 ( 3.906 0.316 -1.178) 4.092 4.141 ( -0.881 7.063 -7.537) 10.367 4.304 ( -1.806 9.989 4.105) 10.950 4.391 ( -6.282 5.955 5.126) 10.060 4.548 ( 2.816 5.791 5.164) 8.254 4.632 ( -5.552 2.091 9.088) 10.853 4.662 ( -7.431 5.669 4.673) 10.449 4.876 ( 0.943 3.374 -1.761) 3.921 5.090 ( 2.261 0.982 -6.838) 7.269 5.389 ( -2.350 -4.388 5.022) 7.071 5.463 ( 0.794 -3.067 -6.956) 7.644 5.771 ( -0.864 -8.026 1.924) 8.299 5.901 ( -1.873 -10.931 0.251) 11.093 6.066 ( 0.673 5.267 -2.131) 5.721 6.160 ( -2.774 0.731 3.061) 4.196 6.402 ( 3.521 6.491 3.442) 8.148 6.575 ( 4.027 5.737 -0.718) 7.045 6.890 ( 13.529 -2.667 -2.931) 14.098 6.942 ( 2.889 2.749 -1.885) 4.411 6.974 ( 8.555 -8.209 5.439) 13.044 7.386 ( 1.284 -0.438 0.312) 1.392 7.621 ( -7.265 -2.974 -6.357) 10.101 7.765 ( -12.213 0.378 -3.766) 12.786 8.042 ( 5.722 2.028 3.037) 6.788 8.082 ( -4.897 3.845 -5.971) 8.626 8.323 ( 1.034 5.204 2.796) 5.997 8.449 ( -7.427 -1.235 -8.551) 11.393 8.593 ( -2.056 -3.265 1.150) 4.026 8.648 ( 2.642 5.535 4.765) 7.767 8.755 ( -0.699 -2.564 -4.636) 5.344 9.204 ( 1.678 4.512 -6.674) 8.229 9.277 ( 4.974 -1.636 5.580) 7.652 9.430 ( 1.117 -3.694 3.147) 4.979 10.430 ( -3.322 5.377 8.447) 10.550 10.482 ( -0.427 4.318 -0.253) 4.347 10.854 ( -1.228 -1.851 -1.016) 2.442 10.898 ( 0.891 1.166 -1.628) 2.192 11.074 ( 2.713 -2.060 3.715) 5.040 11.157 ( 6.982 -1.271 4.003) 8.148 11.291 ( 6.272 -8.956 -6.270) 12.604 11.710 ( -8.214 -1.877 -6.799) 10.827 11.733 ( 3.262 -10.245 -5.394) 12.029 11.984 ( -8.516 -4.986 1.043) 9.923 12.356 ( 1.391 -0.561 3.912) 4.190 12.659 ( 2.228 4.479 1.597) 5.252 12.778 ( -3.407 1.970 -4.904) 6.288 12.943 ( -2.054 2.016 -2.692) 3.941 13.254 ( 5.375 -0.307 5.012) 7.355 13.283 ( 7.480 -5.207 -2.434) 9.433 13.837 ( -1.720 -0.728 5.215) 5.540 14.107 ( -5.615 -4.729 1.615) 7.517 14.324 ( 1.821 -0.241 -4.889) 5.223 14.365 ( -0.314 -0.200 5.571) 5.584 14.422 ( -7.275 -2.670 -8.367) 11.405 14.747 ( 3.114 -8.759 -0.495) 9.309 14.924 ( -0.220 5.289 2.834) 6.005 15.346 ( -5.596 -5.235 3.578) 8.457 15.882 ( 4.200 13.648 -4.804) 15.066 16.169 ( -6.937 1.000 -1.712) 7.215 16.311 ( -2.848 2.029 4.399) 5.620 16.502 ( -3.296 0.422 -1.571) 3.676 16.529 ( 2.954 3.753 -2.231) 5.272 16.749 ( 1.704 1.653 -8.917) 9.227 17.077 ( 4.567 -1.226 4.698) 6.666 17.142 ( 6.344 -2.521 2.011) 7.117 24.876 ( 5.076 0.547 2.308) 5.603 24.916 ( 5.648 0.606 3.560) 6.704 25.165 ( -5.813 1.482 2.923) 6.673 25.389 ( -2.275 -1.555 -3.531) 4.479 25.590 ( -0.546 -0.224 5.006) 5.040 25.678 ( -0.413 -1.452 2.290) 2.743 25.865 ( 0.064 -4.910 3.547) 6.058 25.974 ( -0.903 -4.036 -0.388) 4.154 27.309 ( -1.969 0.512 3.009) 3.632 27.668 ( -0.235 -1.388 0.768) 1.603 27.766 ( -0.355 -1.228 -2.784) 3.064 27.792 ( 0.686 -11.377 -1.668) 11.519 29.733 ( -1.274 2.849 2.966) 4.305 29.932 ( -0.212 -2.610 -4.265) 5.005 30.941 ( -0.469 13.180 -1.096) 13.234 31.116 ( 2.446 8.366 -7.414) 11.443 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -9.568 4.139 12.486) 16.266 1.988 ( 4.123 -2.325 13.826) 14.614 2.227 ( 0.514 3.324 9.361) 9.947 2.315 ( -4.311 3.755 4.576) 7.323 2.553 ( -6.967 -1.456 -2.082) 7.416 2.660 ( 5.299 -2.169 -0.162) 5.728 2.753 ( 7.016 7.582 -1.680) 10.466 2.830 ( 3.134 6.191 -1.106) 7.027 2.891 ( 4.754 2.273 0.435) 5.288 3.108 ( -0.628 3.085 -2.216) 3.851 3.219 ( -2.159 9.304 -0.600) 9.570 3.295 ( -0.329 7.461 -2.543) 7.890 3.356 ( -2.922 0.358 -0.221) 2.952 3.425 ( -0.442 -0.535 -3.233) 3.306 3.739 ( 0.649 5.579 8.385) 10.092 3.915 ( 6.495 -0.406 2.428) 6.946 4.079 ( -3.097 1.626 -6.377) 7.274 4.181 ( -9.883 -2.287 -8.181) 13.032 4.266 ( -5.559 15.068 10.281) 19.070 4.492 ( -3.956 4.873 1.702) 6.503 4.622 ( -2.787 8.724 14.858) 17.454 4.709 ( 0.785 2.344 8.582) 8.931 4.905 ( 1.301 4.961 1.528) 5.352 5.100 ( 3.513 -3.194 -9.475) 10.599 5.361 ( -2.026 -2.686 2.482) 4.181 5.500 ( 4.727 -4.965 -4.147) 8.012 5.763 ( -2.008 -11.219 4.047) 12.095 5.870 ( -0.462 -9.793 -0.289) 9.808 6.092 ( 3.425 3.489 -0.867) 4.965 6.114 ( -2.822 0.839 2.061) 3.594 6.489 ( 3.187 7.142 2.899) 8.341 6.627 ( 2.130 5.717 -2.851) 6.734 6.912 ( -3.548 1.633 1.995) 4.386 7.107 ( 9.090 -10.882 -5.138) 15.082 7.167 ( 6.185 -6.720 1.367) 9.235 7.384 ( -6.426 -6.487 -3.650) 9.833 7.477 ( 0.016 5.254 -0.864) 5.324 7.542 ( -7.724 5.558 -2.628) 9.872 7.994 ( -1.205 -1.279 -1.698) 2.443 8.060 ( -3.101 -4.785 0.827) 5.762 8.276 ( -5.199 0.272 -2.241) 5.668 8.399 ( 5.671 3.611 -4.772) 8.245 8.539 ( -4.647 -3.454 2.715) 6.395 8.754 ( 4.580 -1.772 -0.508) 4.937 8.791 ( 5.790 8.735 3.040) 10.912 9.165 ( -1.607 5.455 -10.240) 11.713 9.398 ( 3.091 0.370 4.968) 5.863 9.450 ( 1.345 -4.728 2.690) 5.604 10.343 ( -6.689 5.259 6.837) 10.915 10.555 ( 4.775 2.505 -0.298) 5.401 10.790 ( -5.449 -0.198 3.407) 6.429 10.909 ( 0.562 0.571 -1.056) 1.326 11.139 ( 1.686 -6.806 2.160) 7.337 11.206 ( -2.303 -0.905 1.939) 3.144 11.282 ( -3.169 -1.711 -6.594) 7.514 11.626 ( 4.290 -10.951 -10.926) 16.053 11.842 ( 8.039 -3.631 3.516) 9.496 11.922 ( -0.735 -2.454 0.374) 2.589 12.393 ( 0.487 1.713 4.146) 4.513 12.669 ( 0.631 0.219 -8.870) 8.895 12.749 ( 2.184 6.954 1.325) 7.408 12.845 ( -3.508 6.651 -5.424) 9.272 13.368 ( 2.929 -4.333 4.922) 7.181 13.438 ( 7.844 -10.180 1.441) 12.931 13.857 ( 0.953 -1.189 4.588) 4.834 14.023 ( -2.773 -1.527 0.657) 3.233 14.207 ( -7.726 -1.720 -8.053) 11.291 14.285 ( -4.254 -2.215 -6.705) 8.244 14.436 ( 2.560 -2.613 9.275) 9.970 14.754 ( -0.691 -9.493 -4.134) 10.377 15.018 ( 7.147 5.249 6.513) 11.002 15.220 ( -7.118 0.664 -1.219) 7.252 15.969 ( 4.719 7.084 -0.841) 8.553 16.031 ( -6.640 1.804 -1.951) 7.151 16.307 ( -0.429 2.591 7.629) 8.068 16.436 ( -2.880 2.967 -0.648) 4.185 16.564 ( 2.297 4.385 -3.497) 6.061 16.711 ( 0.509 2.586 -10.717) 11.037 17.146 ( -0.533 -1.731 4.767) 5.099 17.235 ( 2.619 -2.837 0.366) 3.878 24.961 ( -0.643 1.237 4.055) 4.288 25.035 ( 3.939 1.445 3.467) 5.443 25.082 ( -1.440 -0.260 2.659) 3.035 25.297 ( -4.525 -3.181 -5.397) 7.728 25.622 ( 0.835 -0.685 4.710) 4.833 25.675 ( -0.973 -1.752 1.665) 2.606 25.900 ( 1.267 -7.160 3.900) 8.251 25.946 ( -1.656 -4.164 -0.073) 4.482 27.325 ( 1.000 3.030 5.062) 5.983 27.580 ( -4.637 2.656 -6.403) 8.340 27.774 ( -1.667 -3.359 3.140) 4.891 27.820 ( 3.496 -8.278 -1.275) 9.076 29.748 ( 0.945 1.528 3.044) 3.535 29.905 ( 0.039 -2.669 -4.636) 5.350 30.936 ( 0.349 12.655 -0.307) 12.664 31.114 ( 1.923 7.843 -8.234) 11.533 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -5.654 7.408 15.190) 17.821 2.113 ( 0.397 4.812 12.118) 13.045 2.190 ( -4.368 7.908 9.544) 13.142 2.343 ( -0.396 -0.999 -0.965) 1.444 2.541 ( 7.006 -2.148 -1.018) 7.398 2.670 ( 1.326 -4.500 -6.148) 7.734 2.819 ( 1.125 5.945 -0.606) 6.081 2.951 ( 1.983 5.720 -2.125) 6.416 3.018 ( 0.587 -0.926 -6.087) 6.185 3.096 ( 12.776 4.731 5.516) 14.698 3.140 ( -1.504 10.383 -1.595) 10.612 3.240 ( -4.029 1.015 1.466) 4.406 3.365 ( 3.690 12.184 -0.750) 12.753 3.479 ( 4.259 -1.364 -0.512) 4.501 3.725 ( -6.289 5.549 7.972) 11.571 3.919 ( -10.123 4.928 4.627) 12.173 3.940 ( -6.679 0.140 -9.356) 11.496 4.087 ( 3.099 0.670 2.938) 4.323 4.302 ( 3.145 9.367 8.778) 13.217 4.505 ( 3.259 5.875 2.124) 7.046 4.623 ( -4.193 6.710 11.049) 13.590 4.750 ( 0.082 0.639 6.329) 6.362 4.911 ( -1.602 6.696 1.016) 6.960 5.107 ( 1.578 -11.610 -6.169) 13.241 5.362 ( 2.570 1.005 -2.432) 3.678 5.539 ( 0.502 -3.678 -2.996) 4.771 5.758 ( -0.078 -13.472 4.650) 14.252 5.880 ( 0.909 -6.399 -0.075) 6.464 6.092 ( -0.355 0.743 1.061) 1.343 6.184 ( 6.164 0.397 -1.007) 6.258 6.507 ( -3.266 7.461 0.094) 8.145 6.628 ( 0.303 7.014 -4.432) 8.303 6.806 ( -7.866 -1.979 1.019) 8.175 7.048 ( -7.816 -2.288 -8.760) 11.960 7.195 ( -7.187 -5.378 -6.079) 10.841 7.293 ( 3.354 -9.992 5.255) 11.778 7.474 ( 1.288 3.005 0.819) 3.370 7.592 ( 8.740 7.833 4.322) 12.507 7.938 ( -6.119 -4.948 -2.366) 8.218 8.103 ( 8.235 -5.552 3.647) 10.580 8.222 ( -1.264 3.932 1.153) 4.288 8.450 ( -1.313 0.628 0.679) 1.606 8.499 ( 3.033 -3.424 -1.481) 4.808 8.808 ( 3.389 -2.522 -5.615) 7.027 8.908 ( 1.896 8.098 6.791) 10.738 9.051 ( -2.996 6.656 -12.848) 14.776 9.400 ( -2.137 0.465 0.334) 2.213 9.538 ( 3.949 -4.454 1.014) 6.038 10.284 ( -3.422 3.648 7.238) 8.798 10.624 ( 1.742 -0.351 0.008) 1.777 10.718 ( -3.244 1.918 4.718) 6.038 10.901 ( -0.967 -0.007 -1.159) 1.509 11.067 ( -7.484 -0.349 -2.334) 7.847 11.155 ( -0.705 -6.938 -1.061) 7.054 11.282 ( 0.851 -2.359 3.694) 4.464 11.668 ( 2.883 -4.350 -6.275) 8.161 11.888 ( 3.020 -6.616 -5.680) 9.228 12.015 ( 6.198 -2.427 -0.802) 6.704 12.430 ( 1.194 4.205 3.401) 5.538 12.601 ( -0.973 -0.712 -8.777) 8.860 12.814 ( 1.050 8.528 -2.161) 8.860 12.853 ( 7.405 5.491 -0.159) 9.220 13.334 ( -5.390 -8.910 -4.580) 11.377 13.593 ( 5.897 -8.508 -1.007) 10.401 13.918 ( 1.280 -0.364 4.486) 4.680 13.983 ( -1.082 2.141 -0.980) 2.591 14.075 ( -4.269 -5.823 3.462) 8.008 14.192 ( -0.484 0.098 -1.322) 1.411 14.519 ( -0.075 -6.164 7.556) 9.752 14.736 ( 2.178 -7.671 -5.043) 9.435 15.071 ( -4.946 5.034 -2.049) 7.348 15.239 ( 10.307 2.771 6.959) 12.741 15.864 ( -9.291 3.336 -1.716) 10.020 16.068 ( 4.338 1.528 2.915) 5.445 16.336 ( -0.946 5.700 4.654) 7.419 16.430 ( 2.571 2.627 2.402) 4.391 16.576 ( 1.338 3.528 -4.371) 5.774 16.668 ( 0.530 3.964 -8.771) 9.640 17.104 ( -5.982 -2.089 2.943) 6.986 17.236 ( -2.318 -3.978 -1.195) 4.757 24.871 ( -7.412 2.237 2.299) 8.077 25.049 ( -4.209 1.131 -1.211) 4.523 25.161 ( 3.139 -0.911 6.175) 6.987 25.222 ( 0.588 -4.181 -0.703) 4.280 25.654 ( -0.156 -1.426 1.678) 2.208 25.671 ( 0.149 -0.817 2.494) 2.629 25.893 ( -2.434 -4.197 1.054) 4.965 25.967 ( 2.158 -9.026 2.264) 9.553 27.371 ( -0.095 2.059 4.997) 5.406 27.499 ( 0.134 4.493 -3.151) 5.490 27.731 ( -3.817 -6.144 1.383) 7.364 27.882 ( 3.290 -3.850 -0.894) 5.143 29.791 ( 1.847 1.120 2.270) 3.133 29.891 ( 1.229 -1.701 -4.550) 5.011 30.950 ( 1.456 12.303 -0.673) 12.408 31.101 ( 1.345 8.159 -8.090) 11.568 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.244 9.994 16.257) 19.085 2.002 ( -14.550 15.116 10.831) 23.612 2.255 ( 2.724 -2.452 -0.839) 3.760 2.350 ( 3.945 3.478 -1.366) 5.434 2.623 ( 4.993 -7.099 -5.367) 10.204 2.743 ( 4.761 -2.274 0.548) 5.304 2.816 ( -2.712 -1.395 2.961) 4.250 2.891 ( -2.838 -3.604 -3.187) 5.586 3.047 ( 3.117 8.259 -5.795) 10.560 3.145 ( 3.710 3.332 -1.706) 5.270 3.202 ( -0.936 1.729 1.353) 2.387 3.289 ( 4.743 5.255 -3.043) 7.705 3.474 ( 1.377 4.710 4.673) 6.776 3.559 ( 0.911 4.670 5.526) 7.292 3.678 ( -1.230 3.141 9.725) 10.293 3.756 ( -6.036 5.787 6.919) 10.853 3.795 ( -2.190 -1.862 -10.731) 11.109 4.132 ( -1.386 11.110 10.526) 15.368 4.390 ( 0.833 5.130 2.896) 5.950 4.535 ( -2.494 6.964 2.804) 7.911 4.656 ( 0.802 7.183 8.906) 11.470 4.805 ( 4.942 -5.931 0.690) 7.751 4.878 ( -1.561 9.317 1.877) 9.632 5.100 ( -0.229 -11.219 -0.564) 11.235 5.430 ( 6.888 2.053 -7.288) 10.236 5.507 ( -1.234 -6.309 -0.626) 6.459 5.785 ( -0.628 -7.523 4.356) 8.715 5.899 ( 1.764 -5.631 -1.453) 6.077 6.100 ( -0.374 -0.603 0.889) 1.137 6.224 ( -2.902 -2.996 -4.640) 6.240 6.410 ( -3.923 7.654 -0.090) 8.601 6.573 ( -2.810 5.637 -4.659) 7.834 6.679 ( -4.631 -0.298 -1.862) 5.000 6.882 ( -8.261 1.722 -4.584) 9.603 7.087 ( 2.259 -2.492 -4.130) 5.327 7.309 ( -4.100 -5.007 2.486) 6.933 7.543 ( 2.901 2.511 3.776) 5.383 7.839 ( 0.072 4.267 0.399) 4.286 7.852 ( 13.363 0.750 7.245) 15.220 8.174 ( -1.429 3.241 -2.938) 4.602 8.302 ( 5.104 1.619 5.572) 7.728 8.408 ( -3.397 -5.963 3.332) 7.629 8.608 ( 8.606 -4.719 -1.859) 9.989 8.808 ( -1.065 -4.114 -1.866) 4.641 8.903 ( -1.412 4.695 -8.397) 9.723 8.980 ( 0.400 8.756 -0.410) 8.775 9.340 ( -3.512 0.232 -3.332) 4.846 9.556 ( -1.591 -4.418 -4.310) 6.374 10.299 ( 0.474 1.054 8.203) 8.284 10.596 ( -4.429 -1.362 4.806) 6.676 10.745 ( 2.124 0.954 0.484) 2.378 10.839 ( -3.357 -1.155 -2.400) 4.286 10.976 ( -0.515 2.686 -3.858) 4.729 11.122 ( -2.410 -3.422 -3.311) 5.337 11.271 ( -5.320 -4.744 8.829) 11.348 11.662 ( 2.839 1.071 -7.514) 8.104 11.990 ( 7.978 -10.825 -7.878) 15.585 12.110 ( 6.861 -1.916 2.798) 7.653 12.423 ( -2.798 1.279 -2.608) 4.033 12.619 ( 5.277 -0.239 -0.834) 5.348 12.782 ( -4.352 7.047 -2.237) 8.580 12.963 ( 3.549 1.341 -1.902) 4.245 13.192 ( -4.665 -5.900 -9.214) 11.894 13.536 ( -5.795 -2.628 -11.359) 13.020 13.958 ( 1.846 0.957 1.832) 2.771 14.030 ( -2.959 -5.140 8.717) 10.543 14.037 ( 2.312 -0.085 7.133) 7.499 14.320 ( 10.069 -1.306 6.584) 12.101 14.518 ( -0.756 -5.654 2.148) 6.095 14.733 ( -0.386 -5.254 -4.800) 7.127 14.995 ( -3.188 4.256 -0.759) 5.371 15.487 ( 7.094 -6.165 3.486) 10.025 15.700 ( -2.112 11.895 2.462) 12.330 16.156 ( 2.389 -0.539 4.015) 4.703 16.378 ( 3.272 3.831 5.392) 7.380 16.500 ( 3.967 6.454 -3.039) 8.162 16.577 ( 1.056 1.887 -1.963) 2.920 16.624 ( -2.189 3.070 -4.317) 5.732 16.981 ( -7.251 -2.629 0.811) 7.756 17.145 ( -5.782 -5.257 -2.590) 8.233 24.766 ( -4.523 2.271 1.945) 5.422 24.915 ( -6.823 -0.586 -2.776) 7.390 25.230 ( 0.671 0.091 6.198) 6.235 25.279 ( 2.931 -2.152 4.173) 5.535 25.647 ( -0.514 -0.699 -0.333) 0.929 25.686 ( -0.639 -1.074 2.484) 2.780 25.864 ( -1.395 -3.163 1.975) 3.982 26.003 ( 0.661 -8.902 0.205) 8.929 27.387 ( 1.030 -1.808 2.648) 3.368 27.535 ( 1.441 1.370 2.911) 3.525 27.663 ( -3.022 -4.989 0.436) 5.849 27.920 ( 1.741 -3.599 -2.918) 4.950 29.826 ( 0.347 1.353 1.451) 2.014 29.903 ( 2.579 -0.183 -4.176) 4.911 30.980 ( 2.306 12.484 -2.264) 12.896 31.079 ( 0.697 9.097 -6.727) 11.335 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -14.882 12.521 2.726) 19.639 2.171 ( 6.538 10.729 8.014) 14.903 2.253 ( -3.426 -3.769 -7.510) 9.075 2.355 ( -3.016 -7.515 1.342) 8.208 2.545 ( -1.422 -0.047 5.773) 5.945 2.627 ( 5.747 -5.222 -0.023) 7.765 2.725 ( 1.493 -2.992 -2.566) 4.215 2.769 ( 2.270 -4.217 -3.406) 5.877 3.198 ( -3.216 4.841 -0.075) 5.812 3.240 ( -3.962 3.186 0.788) 5.145 3.250 ( -1.844 3.125 -1.772) 4.038 3.312 ( -2.134 -5.565 1.847) 6.240 3.408 ( -4.246 3.624 -5.875) 8.105 3.482 ( -8.996 -2.470 -2.637) 9.695 3.664 ( 1.705 3.033 0.028) 3.480 3.732 ( 5.302 -3.265 -5.698) 8.441 4.256 ( 6.140 13.145 11.224) 18.343 4.407 ( -0.509 4.168 12.250) 12.950 4.464 ( -0.947 3.961 8.249) 9.200 4.546 ( -2.538 -2.799 3.360) 5.056 4.749 ( -1.619 7.146 8.203) 10.999 4.902 ( 1.678 1.586 7.385) 7.737 4.986 ( 0.396 -1.348 4.196) 4.425 5.094 ( 2.988 0.453 2.329) 3.816 5.274 ( -1.643 -1.343 -3.902) 4.442 5.481 ( 5.535 -8.851 -11.290) 15.377 5.712 ( -2.468 -2.064 -4.696) 5.692 5.722 ( -0.833 -5.037 -3.094) 5.970 6.111 ( 0.029 1.419 2.949) 3.273 6.122 ( 0.027 0.271 1.129) 1.161 6.499 ( -0.602 5.027 0.266) 5.070 6.574 ( 1.398 -1.707 -0.592) 2.284 6.667 ( -2.962 3.824 -3.543) 5.996 6.731 ( -6.826 -0.858 -4.166) 8.043 7.141 ( 2.437 0.407 -0.186) 2.478 7.173 ( 1.691 -1.787 -0.880) 2.613 7.763 ( 3.451 8.661 8.813) 12.829 7.954 ( -0.944 -6.448 6.320) 9.078 8.107 ( 5.783 3.452 0.956) 6.802 8.196 ( 5.412 -1.573 -3.365) 6.564 8.343 ( -0.984 6.304 2.257) 6.768 8.492 ( 5.467 1.501 6.706) 8.782 8.539 ( -2.378 -2.095 -6.788) 7.492 8.690 ( 5.914 -8.167 1.837) 10.249 8.931 ( -5.293 7.384 -7.446) 11.747 9.090 ( -5.032 -5.473 -2.022) 7.705 9.254 ( 0.252 5.245 -5.119) 7.333 9.372 ( -2.058 -4.733 -4.018) 6.541 10.381 ( 0.872 2.909 5.594) 6.365 10.476 ( 2.759 -5.980 1.364) 6.726 10.764 ( -3.590 5.382 3.552) 7.380 10.853 ( 3.823 -1.887 -0.922) 4.362 10.947 ( -2.425 -0.531 2.155) 3.287 10.989 ( -6.124 -4.270 5.717) 9.403 11.349 ( 2.705 10.315 -10.747) 15.139 11.543 ( -0.248 -7.583 -14.764) 16.599 12.024 ( 8.375 2.253 3.461) 9.338 12.178 ( 11.265 -10.869 3.339) 16.006 12.294 ( -11.088 4.361 -7.574) 14.119 12.434 ( -11.543 -8.395 -7.277) 16.021 12.855 ( -0.423 5.836 4.618) 7.454 12.948 ( -0.086 -1.875 4.008) 4.426 13.182 ( 1.009 6.455 -5.435) 8.499 13.326 ( -1.748 -5.511 -7.741) 9.662 13.962 ( -3.887 1.820 8.776) 9.769 14.029 ( -1.738 -3.754 8.850) 9.770 14.186 ( 6.024 6.057 -1.287) 8.639 14.333 ( 4.632 -7.473 -2.811) 9.231 14.569 ( 2.042 2.139 0.939) 3.102 14.623 ( 1.106 -3.354 -1.153) 3.715 15.103 ( -1.518 7.902 4.436) 9.188 15.262 ( -5.717 -6.513 -1.684) 8.829 16.094 ( 8.784 5.615 6.483) 12.277 16.168 ( 2.665 -1.581 3.087) 4.375 16.512 ( 0.426 1.310 -0.487) 1.461 16.543 ( -2.039 -0.955 -2.587) 3.429 16.591 ( -5.720 5.264 -0.154) 7.775 16.680 ( 2.984 -0.983 -4.209) 5.252 16.853 ( 0.313 -0.223 -0.414) 0.565 16.915 ( -1.318 -4.734 -2.470) 5.500 24.779 ( -0.636 1.885 1.502) 2.493 24.808 ( -1.745 -0.726 0.242) 1.906 25.278 ( 0.013 1.605 4.901) 5.158 25.317 ( 1.892 -1.914 4.329) 5.098 25.629 ( -1.484 0.391 2.341) 2.799 25.652 ( -1.245 -1.656 2.931) 3.589 25.830 ( 0.049 1.122 -0.164) 1.135 25.891 ( 1.075 -4.301 -1.587) 4.709 27.367 ( -1.516 -0.337 1.762) 2.349 27.408 ( -1.622 -4.174 -0.579) 4.516 27.718 ( 0.762 3.664 1.463) 4.018 27.811 ( -0.318 -4.954 -2.748) 5.674 29.868 ( -1.069 2.618 1.820) 3.363 29.913 ( 0.505 -1.637 0.001) 1.713 31.189 ( 1.574 5.200 -5.730) 7.896 31.209 ( 2.399 3.115 -5.819) 7.023 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -8.352 7.966 9.703) 15.078 2.054 ( -10.832 -11.116 2.784) 15.769 2.310 ( 1.937 9.031 6.198) 11.123 2.399 ( 4.393 2.238 -1.210) 5.076 2.546 ( -0.995 3.717 -0.144) 3.850 2.676 ( -2.299 -8.195 0.450) 8.523 2.750 ( 2.463 -1.180 -1.410) 3.074 2.802 ( 3.354 -4.571 -2.087) 6.041 3.104 ( -3.910 5.983 1.853) 7.384 3.144 ( -6.584 7.147 0.460) 9.729 3.227 ( -0.325 -2.579 3.774) 4.583 3.287 ( -5.292 -0.824 -1.450) 5.549 3.340 ( 2.366 -4.387 2.190) 5.444 3.372 ( -0.107 -1.604 -1.429) 2.151 3.704 ( 2.530 4.957 -0.489) 5.587 3.793 ( 3.034 -2.929 -4.319) 6.037 4.351 ( -1.549 6.128 7.697) 9.959 4.436 ( -6.666 -1.402 4.361) 8.088 4.515 ( 4.000 6.531 4.363) 8.814 4.572 ( 4.024 5.069 12.681) 14.237 4.727 ( -5.142 8.948 5.229) 11.569 4.904 ( -5.052 -0.201 4.123) 6.524 4.989 ( -0.090 4.288 0.252) 4.297 5.103 ( -2.500 -4.901 -0.462) 5.521 5.262 ( 2.591 2.329 -4.577) 5.752 5.494 ( 1.383 -9.471 -8.820) 13.016 5.639 ( -2.500 -2.306 -2.546) 4.249 5.703 ( -0.478 -6.531 -0.601) 6.576 6.145 ( 1.935 2.780 0.871) 3.497 6.174 ( 2.321 0.045 1.307) 2.664 6.504 ( 0.039 7.149 2.540) 7.587 6.609 ( 3.204 1.479 -3.654) 5.080 6.635 ( 1.009 -1.585 1.068) 2.162 6.677 ( 4.360 -4.174 0.755) 6.083 7.127 ( -0.782 7.057 -1.534) 7.264 7.254 ( 4.486 -4.730 -1.063) 6.605 7.809 ( -7.064 1.326 -0.436) 7.200 7.835 ( -6.449 -1.739 2.733) 7.217 8.115 ( 0.414 7.432 -1.579) 7.609 8.266 ( -3.796 -4.668 -1.759) 6.268 8.382 ( 6.096 5.171 2.931) 8.514 8.533 ( 2.133 -2.571 -2.805) 4.362 8.581 ( -1.357 4.763 2.075) 5.370 8.669 ( -4.126 -1.412 -10.466) 11.338 8.838 ( -3.464 3.118 -0.406) 4.678 9.008 ( 2.160 -10.404 0.408) 10.634 9.295 ( 3.102 3.132 -0.094) 4.409 9.339 ( 0.922 -0.960 -1.677) 2.142 10.464 ( 5.275 5.693 3.833) 8.656 10.600 ( 5.577 -6.567 2.148) 8.879 10.728 ( -0.781 6.345 5.203) 8.243 10.900 ( -5.155 -9.132 11.225) 15.361 10.936 ( 1.784 1.819 -2.495) 3.566 10.959 ( 5.491 -0.775 -4.111) 6.903 11.328 ( 1.745 7.686 -9.252) 12.154 11.484 ( 2.014 -8.160 -8.337) 11.838 11.991 ( -13.607 2.333 -8.753) 16.347 12.063 ( -11.437 -4.513 -3.625) 12.818 12.287 ( 4.084 0.651 2.364) 4.764 12.418 ( 9.251 -10.655 5.918) 15.302 12.881 ( -0.628 6.411 6.485) 9.141 12.984 ( 0.960 -1.008 4.526) 4.736 13.174 ( 1.241 3.600 -3.867) 5.427 13.259 ( -0.755 -2.651 -8.877) 9.295 13.913 ( -5.089 3.244 6.670) 8.995 14.017 ( -4.097 -6.232 8.294) 11.154 14.290 ( 5.635 3.126 -3.434) 7.302 14.375 ( 2.477 -4.267 -7.405) 8.898 14.560 ( -4.155 1.990 -0.950) 4.703 14.602 ( -0.757 -1.912 -0.939) 2.260 15.074 ( -4.473 5.590 3.390) 7.921 15.206 ( -0.426 -6.299 3.942) 7.443 16.153 ( -0.508 8.316 -2.774) 8.781 16.263 ( 1.250 -2.063 -0.789) 2.538 16.418 ( -5.681 3.398 1.944) 6.899 16.487 ( -2.757 -3.061 1.733) 4.469 16.574 ( 1.874 4.656 -1.846) 5.348 16.697 ( 2.902 -5.150 -4.174) 7.236 16.950 ( 7.648 -0.513 0.040) 7.665 16.959 ( 5.923 -0.710 -0.259) 5.971 24.810 ( 2.619 1.063 1.967) 3.443 24.824 ( 2.844 -0.153 1.631) 3.282 25.281 ( -2.040 3.182 2.828) 4.721 25.354 ( -0.011 -3.303 1.961) 3.842 25.610 ( -2.034 1.024 3.263) 3.979 25.644 ( -1.393 -2.043 3.215) 4.056 25.828 ( -0.122 1.504 -0.308) 1.540 25.895 ( 0.442 -4.319 -2.092) 4.819 27.346 ( -0.967 1.635 2.173) 2.886 27.433 ( 3.107 -6.628 2.095) 7.614 27.731 ( -0.342 1.254 1.685) 2.128 27.776 ( -1.608 -2.956 -3.382) 4.771 29.842 ( -2.530 3.600 1.902) 4.794 29.906 ( -1.182 -2.489 -0.097) 2.757 31.177 ( 0.563 6.296 -5.496) 8.376 31.221 ( 2.099 2.032 -6.380) 7.017 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.080 2.920 14.159) 14.457 1.932 ( -6.057 -5.367 9.341) 12.359 2.298 ( -3.454 9.357 5.243) 11.268 2.471 ( 2.472 -4.166 2.042) 5.257 2.507 ( -4.682 3.747 2.357) 6.443 2.593 ( -5.284 -6.082 -0.727) 8.089 2.800 ( 4.731 3.100 -3.032) 6.417 2.853 ( 2.453 -0.042 2.515) 3.514 3.017 ( -4.186 7.126 0.371) 8.273 3.120 ( 2.016 -0.620 1.644) 2.674 3.242 ( 2.128 0.795 0.367) 2.301 3.285 ( 1.587 -0.111 3.537) 3.879 3.381 ( 3.845 2.329 -1.149) 4.640 3.468 ( 6.075 -5.944 2.503) 8.860 3.754 ( 2.844 3.870 2.151) 5.262 3.802 ( 1.170 -0.046 -2.911) 3.138 4.239 ( -9.032 3.414 -3.321) 10.211 4.317 ( -8.760 -3.625 0.309) 9.485 4.617 ( -5.198 4.775 4.007) 8.116 4.634 ( 1.892 0.671 6.151) 6.470 4.709 ( -0.590 12.975 12.836) 18.261 4.818 ( -5.061 6.526 4.616) 9.461 4.977 ( -0.312 0.205 -0.901) 0.976 5.032 ( -3.506 -5.386 -3.669) 7.400 5.314 ( 5.608 2.053 -2.869) 6.626 5.472 ( 0.805 -1.676 -4.059) 4.465 5.594 ( -1.003 -5.442 -1.841) 5.832 5.677 ( -2.836 -7.962 0.813) 8.491 6.145 ( -1.474 2.177 -0.947) 2.795 6.169 ( -2.927 -0.299 1.174) 3.168 6.552 ( 3.541 7.433 3.226) 8.843 6.674 ( 4.751 -0.110 -1.211) 4.905 6.752 ( 7.912 -2.018 2.783) 8.627 6.836 ( 11.291 -5.966 -0.259) 12.773 7.086 ( -2.984 8.526 -2.759) 9.445 7.281 ( -1.308 -9.204 -2.908) 9.741 7.634 ( -5.324 4.774 -2.389) 7.539 7.741 ( -5.198 -3.980 -0.971) 6.619 8.106 ( -5.010 4.048 0.708) 6.480 8.154 ( -6.337 0.967 -6.302) 8.989 8.391 ( -3.626 2.044 -1.616) 4.466 8.429 ( -5.588 -1.097 -5.469) 7.895 8.552 ( 1.448 0.822 -2.361) 2.890 8.627 ( 1.673 -5.648 -5.696) 8.195 8.872 ( 5.306 11.768 5.584) 14.065 9.122 ( 5.666 -10.777 7.347) 14.221 9.312 ( 0.638 4.190 -3.233) 5.331 9.380 ( 1.454 -2.244 1.722) 3.181 10.560 ( -2.158 6.055 7.936) 10.213 10.580 ( -2.202 3.959 0.906) 4.620 10.804 ( 0.384 -1.715 1.997) 2.660 10.878 ( -2.272 -7.989 13.303) 15.683 10.975 ( 5.769 3.678 -7.373) 10.058 11.093 ( 10.594 -6.796 -8.876) 15.401 11.334 ( 2.754 9.002 -6.908) 11.676 11.526 ( 3.507 -9.368 -6.774) 12.080 11.727 ( -7.988 3.497 -2.371) 9.037 11.846 ( -6.462 -7.182 0.391) 9.669 12.394 ( 3.096 4.898 5.702) 8.130 12.562 ( 3.062 -10.019 3.966) 11.202 12.904 ( -0.084 9.134 5.562) 10.694 13.007 ( 0.510 2.161 -1.841) 2.885 13.189 ( 0.306 -4.058 0.028) 4.070 13.209 ( 0.748 -3.718 -5.398) 6.597 13.871 ( -2.380 3.915 5.792) 7.385 13.980 ( -3.612 -6.175 6.474) 9.648 14.322 ( 0.278 0.730 -8.742) 8.776 14.350 ( -0.502 -1.259 -9.615) 9.710 14.461 ( -4.289 4.497 0.644) 6.248 14.582 ( -1.009 -6.807 -0.778) 6.926 15.052 ( 0.293 6.966 4.435) 8.263 15.208 ( -2.012 -7.473 4.792) 9.102 16.120 ( -1.128 7.451 -4.652) 8.856 16.184 ( -6.324 -0.109 -1.295) 6.456 16.362 ( -1.689 4.072 3.806) 5.824 16.467 ( -0.663 -4.079 1.100) 4.276 16.626 ( 4.151 5.067 -3.824) 7.585 16.723 ( 2.625 -3.648 -7.453) 8.703 17.067 ( 4.861 0.459 2.032) 5.288 17.094 ( 5.927 -1.933 1.495) 6.411 24.892 ( 4.628 0.926 2.886) 5.532 24.912 ( 4.663 -0.829 3.615) 5.958 25.228 ( -4.531 4.260 0.211) 6.223 25.324 ( -3.452 -4.372 -1.627) 5.804 25.599 ( -1.197 1.160 4.763) 5.046 25.637 ( -1.224 -2.274 3.654) 4.474 25.825 ( 0.052 1.122 -0.284) 1.158 25.885 ( -0.285 -4.045 -2.034) 4.536 27.368 ( 1.505 5.109 3.636) 6.449 27.521 ( 4.250 -9.328 3.389) 10.796 27.707 ( -2.572 0.695 -2.207) 3.459 27.736 ( -0.952 -1.692 -0.226) 1.955 29.807 ( -2.004 3.711 2.007) 4.671 29.877 ( -1.575 -2.869 -0.330) 3.290 31.158 ( 0.543 6.874 -5.119) 8.588 31.218 ( 1.515 1.128 -6.957) 7.208 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -3.092 3.055 12.048) 12.808 1.956 ( 3.357 -1.580 13.454) 13.956 2.323 ( 3.455 6.769 3.249) 8.265 2.414 ( -6.501 4.550 8.366) 11.531 2.476 ( -2.698 -5.312 -4.789) 7.645 2.530 ( 0.666 -6.448 5.095) 8.245 2.908 ( 4.926 3.330 0.991) 6.028 2.934 ( 5.873 1.504 -1.237) 6.188 3.022 ( 4.978 10.731 1.397) 11.912 3.147 ( -2.730 -0.061 -2.199) 3.506 3.264 ( -1.518 -1.908 1.918) 3.102 3.299 ( 0.414 -4.778 0.015) 4.796 3.476 ( 4.926 8.656 -1.464) 10.066 3.537 ( 3.045 4.620 -3.635) 6.620 3.831 ( 4.640 3.371 2.357) 6.200 3.881 ( 6.591 -1.161 1.925) 6.964 4.080 ( -6.836 -0.835 -1.314) 7.011 4.114 ( -9.842 -3.996 -3.277) 11.116 4.496 ( -7.137 7.129 4.134) 10.902 4.631 ( -5.273 -2.275 3.926) 6.956 4.726 ( -0.958 9.334 8.999) 13.001 4.786 ( -4.689 5.568 7.619) 10.537 4.935 ( -4.379 -5.720 -1.334) 7.326 5.010 ( 1.589 -1.384 2.049) 2.940 5.436 ( 7.268 4.496 -1.096) 8.616 5.472 ( 1.736 4.453 -4.021) 6.246 5.576 ( -3.639 -5.389 -0.414) 6.516 5.633 ( 2.373 -11.444 -1.333) 11.763 6.119 ( -2.568 -0.153 2.091) 3.315 6.124 ( 0.018 -0.231 0.556) 0.602 6.643 ( 3.764 7.489 2.604) 8.777 6.744 ( 3.579 2.494 -2.889) 5.232 6.881 ( 0.586 -3.481 3.164) 4.740 6.953 ( 0.952 -4.376 -4.255) 6.177 7.053 ( 4.059 0.370 -1.366) 4.299 7.182 ( -5.811 -9.466 -5.256) 12.289 7.629 ( 3.542 5.623 1.374) 6.786 7.657 ( -4.320 3.508 -0.542) 5.591 7.954 ( -8.426 -2.464 -3.221) 9.351 7.961 ( -5.997 -3.281 -3.179) 7.539 8.330 ( -2.050 4.007 -1.350) 4.699 8.410 ( 1.055 -3.007 -1.227) 3.414 8.544 ( 0.356 4.481 -1.896) 4.879 8.660 ( 4.482 -5.680 -4.886) 8.731 9.015 ( 5.138 11.251 6.655) 14.045 9.225 ( -0.071 -5.556 1.275) 5.701 9.322 ( 3.959 0.883 -0.197) 4.061 9.394 ( -0.116 -2.941 -0.112) 2.946 10.473 ( -7.209 6.788 7.892) 12.663 10.584 ( -2.291 -2.045 4.152) 5.165 10.794 ( -1.693 2.537 3.837) 4.902 10.897 ( -1.561 -5.334 4.322) 7.041 11.050 ( 6.363 4.460 -8.239) 11.325 11.198 ( 4.215 -6.084 -8.339) 11.150 11.293 ( -2.898 4.890 -4.431) 7.207 11.419 ( -3.715 -7.520 -8.524) 11.959 11.804 ( 8.898 0.694 4.475) 9.985 11.860 ( 3.609 -3.556 2.320) 5.573 12.458 ( 1.990 4.769 3.035) 5.993 12.585 ( -0.098 -6.477 -2.410) 6.912 12.936 ( 0.872 9.948 2.721) 10.350 12.993 ( 0.237 7.216 -2.663) 7.695 13.197 ( -1.866 -9.626 2.128) 10.033 13.225 ( 4.876 -9.604 -1.953) 10.946 13.894 ( 0.762 3.151 6.737) 7.476 13.962 ( -2.163 -3.412 5.993) 7.227 14.218 ( -4.518 2.026 -9.463) 10.680 14.261 ( -2.470 -1.195 -9.661) 10.043 14.433 ( -0.631 2.984 2.938) 4.235 14.561 ( -0.401 -8.330 -2.069) 8.592 15.123 ( 3.954 4.512 5.433) 8.093 15.199 ( -1.058 -2.537 2.673) 3.834 16.054 ( -5.735 1.497 -0.075) 5.927 16.063 ( -3.848 0.769 -0.696) 3.985 16.400 ( 2.722 5.405 3.959) 7.231 16.470 ( 0.106 -0.506 0.853) 0.998 16.656 ( 1.803 3.862 -6.027) 7.382 16.716 ( 1.859 -1.764 -9.449) 9.790 17.127 ( -0.274 0.430 2.915) 2.959 17.168 ( 1.159 -3.101 0.838) 3.415 24.988 ( 1.825 1.342 4.890) 5.389 25.019 ( 3.853 -1.616 5.563) 6.957 25.132 ( -3.971 3.705 -1.741) 5.703 25.216 ( -5.943 -4.221 -3.666) 8.159 25.614 ( -0.209 0.323 5.007) 5.022 25.638 ( -0.775 -1.727 3.584) 4.053 25.828 ( 0.400 -0.110 -0.063) 0.420 25.866 ( -0.547 -3.199 -1.743) 3.684 27.424 ( 1.487 6.407 4.594) 8.023 27.583 ( -0.374 -7.585 -0.232) 7.598 27.660 ( -0.610 1.811 0.299) 1.934 27.729 ( 1.065 -3.590 -0.660) 3.802 29.798 ( -0.082 2.862 2.069) 3.532 29.854 ( -0.377 -2.423 -0.475) 2.498 31.146 ( 1.139 6.762 -4.712) 8.320 31.208 ( 1.611 0.894 -7.235) 7.466 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -0.614 7.970 10.510) 13.204 2.078 ( 3.890 -5.311 7.297) 9.828 2.371 ( 0.829 4.268 1.788) 4.701 2.413 ( -1.576 6.238 14.308) 15.688 2.488 ( 5.209 -0.731 -4.750) 7.088 2.585 ( 3.173 -4.530 1.529) 5.738 2.879 ( -8.649 1.320 -8.315) 12.070 2.920 ( -6.734 -2.285 -5.365) 8.908 3.092 ( 5.514 3.421 -1.794) 6.732 3.159 ( 2.212 -2.649 0.642) 3.511 3.237 ( 3.661 6.166 4.641) 8.542 3.367 ( 2.329 -3.071 2.367) 4.523 3.482 ( 1.180 11.403 -6.496) 13.177 3.632 ( 7.411 4.349 -5.698) 10.311 3.829 ( -6.217 3.737 -1.684) 7.447 3.904 ( -8.790 -0.696 -3.417) 9.456 3.957 ( -2.797 3.565 2.734) 5.292 4.110 ( 10.329 -2.454 5.483) 11.949 4.483 ( -0.028 4.322 11.267) 12.068 4.605 ( -0.533 -3.964 6.683) 7.789 4.696 ( -6.271 5.855 4.598) 9.734 4.773 ( 0.929 3.993 9.157) 10.032 4.843 ( -5.672 -3.623 4.200) 7.933 5.036 ( -0.817 -3.121 4.224) 5.316 5.439 ( -0.580 2.542 -7.337) 7.786 5.473 ( -3.550 -2.899 -4.068) 6.128 5.599 ( 8.107 2.186 -1.726) 8.572 5.718 ( 4.819 -8.011 -0.694) 9.375 6.103 ( -0.560 1.050 2.521) 2.787 6.154 ( 2.048 -3.033 0.530) 3.698 6.654 ( -4.416 5.943 -0.530) 7.423 6.741 ( -5.824 -2.028 -1.572) 6.364 6.813 ( 0.543 8.479 -2.582) 8.880 7.008 ( 0.444 -5.192 -4.966) 7.198 7.035 ( -3.731 -4.293 -2.960) 6.412 7.102 ( 1.432 -6.831 2.090) 7.286 7.589 ( -0.828 6.340 1.139) 6.494 7.681 ( 1.646 -1.051 1.499) 2.462 7.894 ( 1.177 1.317 1.934) 2.619 7.973 ( 6.353 -5.733 3.312) 9.176 8.307 ( -0.123 3.732 0.833) 3.826 8.382 ( -2.247 -3.832 0.856) 4.524 8.562 ( 2.092 6.189 -4.819) 8.118 8.705 ( 2.181 -6.559 -4.760) 8.393 9.097 ( -0.106 8.724 4.606) 9.866 9.172 ( -2.277 3.314 -4.670) 6.162 9.380 ( -0.506 -1.915 -3.450) 3.978 9.410 ( 3.243 -6.160 0.599) 6.987 10.397 ( -5.349 6.905 7.593) 11.573 10.549 ( -4.377 -6.605 6.497) 10.247 10.788 ( -0.548 4.184 1.592) 4.510 10.871 ( -2.460 -3.527 0.852) 4.384 11.116 ( 0.485 2.440 -4.990) 5.576 11.124 ( -2.451 4.060 -3.828) 6.094 11.247 ( -0.633 1.312 0.669) 1.604 11.444 ( 9.422 -13.391 -8.383) 18.394 11.880 ( 0.181 3.153 -4.059) 5.143 11.955 ( 4.508 -3.410 -1.780) 5.926 12.516 ( 1.949 3.431 2.051) 4.447 12.568 ( 0.893 -1.896 -4.046) 4.557 12.943 ( 0.381 4.668 -2.034) 5.106 13.008 ( -0.866 5.103 -0.812) 5.240 13.157 ( 0.319 -2.509 -2.496) 3.554 13.346 ( 6.256 -13.052 0.693) 14.490 13.931 ( -1.005 0.156 6.004) 6.089 13.943 ( -3.240 -1.888 6.590) 7.582 14.122 ( -0.838 5.621 -3.922) 6.904 14.207 ( 1.585 -0.996 -4.385) 4.768 14.446 ( -0.161 1.003 3.406) 3.555 14.561 ( 2.031 -8.186 -1.921) 8.650 15.174 ( -1.232 4.548 0.156) 4.714 15.247 ( 4.912 -1.946 3.392) 6.279 15.949 ( -5.206 4.520 3.150) 7.580 16.038 ( -0.400 -3.542 4.894) 6.054 16.455 ( 0.246 4.745 1.471) 4.974 16.494 ( 3.275 1.551 0.822) 3.715 16.643 ( 0.960 3.338 -6.735) 7.578 16.701 ( 1.692 -1.137 -8.787) 9.020 17.082 ( -5.967 0.722 1.960) 6.322 17.142 ( -4.272 -4.436 0.121) 6.160 24.933 ( -7.030 3.744 1.587) 8.121 25.020 ( -7.178 -3.949 -0.094) 8.193 25.148 ( 3.727 0.568 3.811) 5.361 25.170 ( 2.734 -1.311 2.554) 3.965 25.634 ( -0.387 -0.231 3.487) 3.516 25.646 ( -0.376 -1.258 3.598) 3.830 25.833 ( -0.029 -0.771 -0.300) 0.828 25.857 ( 0.644 -2.815 -0.874) 3.017 27.439 ( -2.314 4.384 2.672) 5.631 27.539 ( -2.568 -3.608 -1.484) 4.671 27.662 ( 0.487 3.083 0.768) 3.214 27.775 ( 3.192 -6.007 -0.628) 6.831 29.823 ( 1.406 1.905 1.997) 3.098 29.861 ( 1.261 -1.543 -0.365) 2.026 31.151 ( 2.105 6.291 -4.621) 8.085 31.203 ( 1.967 1.346 -6.949) 7.347 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 3.971 10.441 8.663) 14.136 2.191 ( 5.993 -5.663 0.537) 8.263 2.333 ( -14.200 15.124 3.401) 21.023 2.427 ( 0.915 4.513 0.320) 4.616 2.516 ( 3.711 -3.590 -1.335) 5.334 2.637 ( -5.459 -9.479 4.407) 11.793 2.721 ( -1.343 -2.912 -4.140) 5.236 2.759 ( -1.282 -5.643 -6.118) 8.422 3.200 ( 5.080 2.592 -0.229) 5.708 3.221 ( 3.616 0.980 0.925) 3.858 3.268 ( -2.070 7.319 -2.195) 7.916 3.376 ( -1.084 -1.300 -0.371) 1.733 3.492 ( 1.229 4.946 -7.333) 8.930 3.648 ( -4.509 -2.038 -3.901) 6.301 3.685 ( -3.911 -1.240 -6.509) 7.694 3.734 ( -5.860 -1.096 -0.519) 5.984 4.046 ( 8.050 18.323 11.116) 22.893 4.320 ( 6.054 -0.123 6.585) 8.945 4.526 ( -8.260 1.965 7.683) 11.451 4.531 ( -0.909 -3.610 9.211) 9.935 4.727 ( 0.281 4.747 6.815) 8.310 4.811 ( 0.982 6.968 9.864) 12.116 4.889 ( 5.098 -4.875 8.252) 10.856 5.042 ( -0.222 -2.857 4.435) 5.281 5.348 ( -3.774 -1.601 -4.336) 5.967 5.449 ( 3.920 -3.352 -11.663) 12.753 5.704 ( 4.135 0.169 -2.655) 4.917 5.764 ( 0.703 -5.168 -2.704) 5.874 6.108 ( -0.752 1.410 2.306) 2.806 6.160 ( -1.971 -3.228 -0.738) 3.854 6.544 ( -4.911 4.737 0.383) 6.834 6.612 ( -5.860 -1.852 0.333) 6.154 6.757 ( -2.807 7.476 -8.491) 11.657 6.895 ( -7.168 -3.342 -6.029) 9.945 7.048 ( 5.230 2.100 -0.272) 5.643 7.170 ( 0.969 -7.447 3.772) 8.404 7.650 ( 4.288 7.312 4.693) 9.689 7.799 ( 8.826 -5.470 6.629) 12.319 7.961 ( 5.393 6.529 2.664) 8.877 8.123 ( 5.257 -7.943 3.773) 10.245 8.352 ( 3.835 3.171 3.619) 6.153 8.371 ( -0.475 1.654 2.862) 3.339 8.563 ( 2.533 1.202 -5.907) 6.539 8.672 ( -2.809 -7.403 -4.125) 8.927 9.051 ( -3.683 8.014 -4.960) 10.119 9.135 ( -1.452 3.256 1.323) 3.803 9.328 ( -2.097 0.270 -7.498) 7.790 9.426 ( -0.953 -7.132 -2.334) 7.564 10.361 ( -2.384 4.918 6.567) 8.544 10.493 ( -4.579 -6.967 4.923) 9.682 10.795 ( 0.133 2.751 1.559) 3.165 10.826 ( -1.719 -0.457 -0.797) 1.949 11.008 ( -5.241 1.605 1.188) 5.609 11.083 ( -5.443 -4.173 1.757) 7.080 11.309 ( 6.301 10.504 -5.716) 13.517 11.570 ( 7.309 -11.492 -13.004) 18.831 11.885 ( 4.570 2.921 -2.588) 6.009 12.008 ( 5.085 -6.852 -2.211) 8.814 12.481 ( -5.189 4.593 -3.390) 7.715 12.584 ( -1.008 -3.731 -0.368) 3.883 12.901 ( -5.493 2.840 -1.789) 6.438 12.947 ( -0.246 -1.974 -2.233) 2.990 13.182 ( 2.082 6.818 -4.025) 8.187 13.390 ( -0.471 -10.547 -4.918) 11.647 13.950 ( -0.836 -0.093 9.599) 9.636 13.973 ( 2.228 -0.908 7.095) 7.492 14.121 ( 1.290 6.221 -0.084) 6.354 14.258 ( 4.134 -5.657 -0.425) 7.020 14.485 ( 3.585 3.083 3.033) 5.617 14.598 ( 2.109 -6.702 -1.373) 7.159 15.137 ( -2.437 8.494 -0.619) 8.859 15.324 ( 0.793 -8.844 0.744) 8.910 15.933 ( 2.000 9.598 6.721) 11.887 16.092 ( 2.212 -5.495 7.256) 9.367 16.472 ( 1.678 5.138 0.663) 5.446 16.558 ( 2.252 -2.234 -0.600) 3.229 16.633 ( 2.446 4.340 -6.209) 7.960 16.680 ( -0.099 0.631 -6.652) 6.682 16.945 ( -8.317 0.660 0.446) 8.355 17.024 ( -7.512 -5.755 -0.632) 9.484 24.824 ( -4.816 3.042 1.027) 5.788 24.884 ( -6.109 -2.386 -0.721) 6.598 25.231 ( 2.021 0.325 5.672) 6.030 25.247 ( 2.871 -1.065 4.654) 5.571 25.638 ( -0.768 0.056 2.267) 2.394 25.655 ( -0.793 -1.543 3.298) 3.726 25.830 ( 0.017 0.312 -0.298) 0.432 25.874 ( 1.316 -3.857 -0.743) 4.143 27.394 ( -2.542 2.239 0.682) 3.456 27.472 ( -3.896 -4.904 -0.636) 6.295 27.689 ( 1.567 5.210 0.893) 5.513 27.814 ( 1.442 -6.062 -1.695) 6.458 29.858 ( 0.935 1.748 1.851) 2.712 29.890 ( 1.766 -1.114 -0.120) 2.092 31.173 ( 2.827 5.512 -5.066) 8.002 31.204 ( 1.864 2.459 -6.304) 7.018 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 5.526 0.000 -13.712) 14.783 1.936 ( -5.526 0.000 13.712) 14.783 2.286 ( -4.000 0.000 -20.282) 20.673 2.286 ( 4.000 0.000 20.282) 20.673 2.734 ( 5.022 0.000 -2.257) 5.506 2.734 ( -5.022 0.000 2.257) 5.506 2.895 ( -8.888 0.000 -0.472) 8.900 2.895 ( 8.888 0.000 0.472) 8.900 2.958 ( -1.502 0.000 -5.538) 5.738 2.958 ( 1.502 0.000 5.538) 5.738 3.238 ( 0.055 0.000 -0.668) 0.671 3.238 ( -0.055 0.000 0.668) 0.671 3.577 ( -5.333 0.000 0.496) 5.356 3.577 ( 5.333 0.000 -0.496) 5.356 3.669 ( -2.027 0.000 0.342) 2.056 3.669 ( 2.027 0.000 -0.342) 2.056 3.993 ( -8.534 0.000 -6.842) 10.938 3.993 ( 8.534 0.000 6.842) 10.938 4.329 ( -2.400 0.000 -1.374) 2.765 4.329 ( 2.400 0.000 1.374) 2.765 4.746 ( 8.743 0.000 -4.295) 9.741 4.746 ( -8.743 0.000 4.295) 9.741 4.818 ( -2.794 0.000 -12.661) 12.966 4.818 ( 2.794 0.000 12.661) 12.966 5.517 ( 4.388 0.000 -4.189) 6.066 5.517 ( -4.388 0.000 4.189) 6.066 5.868 ( 0.280 0.000 -0.169) 0.327 5.868 ( -0.280 0.000 0.169) 0.327 6.164 ( -1.967 0.000 -1.937) 2.760 6.164 ( 1.967 0.000 1.937) 2.760 6.344 ( 1.611 0.000 -5.510) 5.741 6.344 ( -1.611 0.000 5.510) 5.741 6.571 ( -0.707 0.000 -0.299) 0.768 6.571 ( 0.707 0.000 0.299) 0.768 7.347 ( -13.436 0.000 -3.237) 13.821 7.347 ( 13.436 0.000 3.237) 13.821 7.564 ( -1.132 0.000 -1.339) 1.753 7.564 ( 1.132 0.000 1.339) 1.753 8.101 ( 1.162 0.000 -8.897) 8.972 8.101 ( -1.162 0.000 8.897) 8.972 8.182 ( -10.359 0.000 -5.926) 11.934 8.182 ( 10.359 0.000 5.926) 11.934 8.748 ( -3.218 0.000 -0.581) 3.270 8.748 ( 3.218 0.000 0.581) 3.270 9.064 ( -2.922 0.000 -8.409) 8.902 9.064 ( 2.922 0.000 8.409) 8.902 9.282 ( 8.395 0.000 -6.386) 10.548 9.282 ( -8.395 0.000 6.386) 10.548 10.607 ( -6.743 0.000 -3.802) 7.741 10.607 ( 6.743 0.000 3.802) 7.741 10.670 ( -3.452 0.000 -7.135) 7.927 10.670 ( 3.452 0.000 7.135) 7.927 11.002 ( -4.399 0.000 -4.099) 6.013 11.002 ( 4.399 0.000 4.099) 6.013 11.802 ( 1.425 0.000 -2.151) 2.581 11.802 ( -1.425 0.000 2.151) 2.581 12.227 ( -11.152 0.000 -1.817) 11.299 12.227 ( 11.152 0.000 1.817) 11.299 12.443 ( 3.453 0.000 -1.651) 3.828 12.443 ( -3.453 0.000 1.651) 3.828 12.645 ( -8.020 0.000 -3.083) 8.592 12.645 ( 8.020 0.000 3.083) 8.592 13.327 ( -7.009 0.000 -4.752) 8.468 13.327 ( 7.009 0.000 4.752) 8.468 13.999 ( 7.997 0.000 -3.338) 8.665 13.999 ( -7.997 0.000 3.338) 8.665 14.392 ( -5.766 0.000 -13.962) 15.106 14.392 ( 5.766 0.000 13.962) 15.106 14.745 ( -6.572 0.000 -4.190) 7.794 14.745 ( 6.572 0.000 4.190) 7.794 15.197 ( -11.010 0.000 -4.552) 11.914 15.197 ( 11.010 0.000 4.552) 11.914 15.891 ( -15.132 0.000 -2.604) 15.354 15.891 ( 15.132 0.000 2.604) 15.354 16.395 ( -7.139 0.000 -2.316) 7.505 16.395 ( 7.139 0.000 2.316) 7.505 16.597 ( -3.103 0.000 -3.966) 5.036 16.597 ( 3.103 0.000 3.966) 5.036 17.047 ( 0.291 0.000 -6.739) 6.745 17.047 ( -0.291 0.000 6.739) 6.745 24.748 ( -1.106 0.000 -2.957) 3.157 24.748 ( 1.106 0.000 2.957) 3.157 25.364 ( 1.127 0.000 -5.848) 5.955 25.364 ( -1.127 0.000 5.848) 5.955 25.667 ( -2.848 0.000 -2.171) 3.581 25.667 ( 2.848 0.000 2.171) 3.581 26.066 ( -2.933 0.000 -4.767) 5.597 26.066 ( 2.933 0.000 4.767) 5.597 27.744 ( -1.334 0.000 -8.193) 8.300 27.744 ( 1.334 0.000 8.193) 8.300 27.878 ( 11.485 0.000 -12.436) 16.928 27.878 ( -11.485 0.000 12.436) 16.928 29.773 ( 0.701 0.000 -4.257) 4.314 29.773 ( -0.701 0.000 4.257) 4.314 30.639 ( 0.496 0.000 -3.091) 3.131 30.639 ( -0.496 0.000 3.091) 3.131 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.913 0.000 1.447) 1.711 1.990 ( 7.710 0.000 -15.899) 17.670 2.167 ( 0.995 0.000 -8.486) 8.544 2.469 ( 2.829 0.000 17.283) 17.513 2.583 ( -11.448 0.000 2.433) 11.703 2.631 ( -12.363 0.000 -0.089) 12.363 2.754 ( -3.819 0.000 -1.795) 4.220 2.905 ( -3.159 0.000 2.718) 4.167 2.934 ( 0.382 0.000 -5.573) 5.586 3.065 ( 1.998 0.000 -3.744) 4.244 3.194 ( -5.167 0.000 0.590) 5.200 3.215 ( -2.305 0.000 3.056) 3.828 3.481 ( -4.477 0.000 1.892) 4.860 3.605 ( -1.822 0.000 -4.797) 5.132 3.659 ( 0.431 0.000 1.501) 1.562 3.703 ( 1.538 0.000 -4.411) 4.672 3.887 ( 1.952 0.000 -4.066) 4.510 4.081 ( -4.758 0.000 -6.960) 8.431 4.262 ( 1.434 0.000 5.157) 5.353 4.282 ( -4.836 0.000 -4.107) 6.345 4.656 ( -1.415 0.000 4.027) 4.269 4.734 ( -1.012 0.000 -8.640) 8.699 4.832 ( 4.639 0.000 -8.617) 9.787 4.941 ( -2.254 0.000 17.163) 17.310 5.479 ( -0.434 0.000 2.994) 3.026 5.581 ( 3.575 0.000 -0.006) 3.575 5.891 ( 1.307 0.000 1.957) 2.353 5.904 ( 3.141 0.000 4.406) 5.411 6.156 ( 0.065 0.000 1.302) 1.304 6.231 ( 2.254 0.000 3.589) 4.238 6.316 ( -2.551 0.000 4.411) 5.095 6.355 ( 3.346 0.000 -2.948) 4.459 6.638 ( 3.848 0.000 -0.491) 3.879 6.675 ( 9.197 0.000 3.437) 9.818 7.198 ( 0.608 0.000 -2.958) 3.020 7.515 ( -1.713 0.000 -4.867) 5.160 7.548 ( -1.975 0.000 -5.022) 5.396 7.668 ( 17.759 0.000 3.664) 18.133 7.961 ( -9.467 0.000 -0.247) 9.471 8.067 ( -0.594 0.000 -3.093) 3.150 8.143 ( -0.233 0.000 7.225) 7.229 8.384 ( 7.012 0.000 3.748) 7.951 8.701 ( -2.201 0.000 1.677) 2.767 8.803 ( -1.384 0.000 -0.656) 1.531 8.899 ( -2.834 0.000 -8.076) 8.559 8.925 ( -13.312 0.000 -0.353) 13.316 9.346 ( 2.922 0.000 13.290) 13.608 9.433 ( 7.654 0.000 -5.839) 9.627 10.446 ( -6.469 0.000 -1.134) 6.567 10.520 ( -8.059 0.000 4.191) 9.084 10.765 ( 7.398 0.000 -6.609) 9.921 10.804 ( 6.708 0.000 3.687) 7.655 10.949 ( -0.715 0.000 -1.409) 1.580 11.200 ( 13.792 0.000 6.838) 15.394 11.713 ( -8.216 0.000 -5.502) 9.887 11.796 ( 1.671 0.000 -7.933) 8.108 12.046 ( -5.760 0.000 -1.512) 5.955 12.308 ( -9.155 0.000 -1.948) 9.360 12.367 ( -6.282 0.000 -3.918) 7.403 12.407 ( 6.095 0.000 2.364) 6.537 12.598 ( -0.776 0.000 5.053) 5.112 12.836 ( 3.476 0.000 11.322) 11.844 13.142 ( -6.027 0.000 -7.815) 9.869 13.457 ( 5.272 0.000 3.664) 6.420 13.974 ( 2.329 0.000 7.804) 8.144 14.145 ( 3.900 0.000 -4.060) 5.630 14.231 ( -1.098 0.000 -7.051) 7.136 14.550 ( 1.253 0.000 11.581) 11.649 14.634 ( -1.013 0.000 -2.987) 3.154 14.878 ( 5.052 0.000 -0.454) 5.072 14.959 ( -10.921 0.000 -4.332) 11.748 15.374 ( 3.449 0.000 -1.514) 3.766 15.603 ( -10.259 0.000 1.264) 10.336 16.126 ( 7.038 0.000 2.530) 7.479 16.235 ( -5.741 0.000 -4.841) 7.510 16.455 ( -4.261 0.000 -6.859) 8.075 16.506 ( 1.303 0.000 -1.997) 2.385 16.601 ( -3.569 0.000 1.100) 3.735 17.093 ( 6.317 0.000 -2.416) 6.763 17.142 ( 4.763 0.000 7.907) 9.230 24.765 ( 4.162 0.000 -1.891) 4.571 24.830 ( 5.128 0.000 4.175) 6.613 25.336 ( -0.567 0.000 -5.862) 5.890 25.348 ( -3.657 0.000 4.598) 5.874 25.630 ( -0.473 0.000 0.168) 0.502 25.736 ( 2.642 0.000 1.000) 2.825 26.019 ( 0.493 0.000 -2.026) 2.085 26.159 ( 2.932 0.000 8.283) 8.786 27.645 ( -4.164 0.000 -9.806) 10.653 27.650 ( -15.493 0.000 5.589) 16.470 27.812 ( 0.121 0.000 7.286) 7.287 27.955 ( 4.657 0.000 -13.396) 14.183 29.794 ( 3.747 0.000 -4.602) 5.934 29.810 ( 1.419 0.000 5.253) 5.441 30.635 ( 0.765 0.000 -2.327) 2.449 30.647 ( -0.385 0.000 2.917) 2.942 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 7.832 0.000 -9.215) 12.093 2.024 ( 4.781 0.000 -12.339) 13.233 2.212 ( 0.743 0.000 2.775) 2.873 2.375 ( -10.519 0.000 -1.171) 10.584 2.401 ( -6.848 0.000 5.266) 8.639 2.564 ( -6.006 0.000 1.231) 6.131 2.708 ( 0.909 0.000 12.757) 12.790 2.854 ( -3.317 0.000 3.260) 4.651 2.932 ( 3.564 0.000 -8.418) 9.141 2.978 ( -5.419 0.000 -8.541) 10.115 3.063 ( -8.648 0.000 1.412) 8.763 3.143 ( -6.844 0.000 0.837) 6.895 3.457 ( -0.221 0.000 4.017) 4.023 3.533 ( -1.634 0.000 -5.581) 5.815 3.676 ( 0.474 0.000 -5.988) 6.007 3.678 ( -0.078 0.000 2.485) 2.486 3.948 ( 2.623 0.000 2.921) 3.926 3.992 ( 0.349 0.000 -5.582) 5.593 4.182 ( 0.021 0.000 -10.276) 10.276 4.276 ( -5.108 0.000 7.501) 9.075 4.691 ( 2.381 0.000 -10.185) 10.459 4.726 ( 4.203 0.000 6.373) 7.634 4.833 ( -0.932 0.000 -7.608) 7.665 4.885 ( -9.093 0.000 13.709) 16.451 5.555 ( 5.547 0.000 2.264) 5.992 5.641 ( 2.036 0.000 1.466) 2.509 5.929 ( 1.852 0.000 1.338) 2.285 5.999 ( 2.047 0.000 6.220) 6.548 6.133 ( -1.124 0.000 -1.029) 1.524 6.248 ( -2.103 0.000 1.815) 2.778 6.349 ( 1.852 0.000 6.307) 6.573 6.404 ( 2.132 0.000 -3.256) 3.892 6.722 ( 6.932 0.000 -0.327) 6.939 6.845 ( 4.660 0.000 4.025) 6.157 7.308 ( 9.842 0.000 -2.258) 10.098 7.464 ( -2.493 0.000 -5.915) 6.419 7.475 ( 0.649 0.000 -3.011) 3.080 7.776 ( -8.998 0.000 -2.241) 9.273 8.023 ( 15.185 0.000 5.049) 16.002 8.067 ( 1.334 0.000 2.124) 2.508 8.176 ( -0.589 0.000 5.431) 5.463 8.454 ( -1.488 0.000 0.306) 1.519 8.653 ( -5.812 0.000 -7.353) 9.373 8.670 ( -4.790 0.000 3.248) 5.787 8.742 ( -2.085 0.000 0.484) 2.141 8.910 ( 0.281 0.000 -2.574) 2.590 9.419 ( -1.614 0.000 10.830) 10.950 9.473 ( 1.101 0.000 -7.442) 7.523 10.378 ( 0.446 0.000 -4.797) 4.818 10.426 ( -5.545 0.000 8.183) 9.885 10.846 ( 5.720 0.000 -6.739) 8.839 10.920 ( -0.804 0.000 5.459) 5.518 10.987 ( 8.665 0.000 1.728) 8.835 11.435 ( -5.925 0.000 -3.628) 6.947 11.568 ( 8.217 0.000 6.071) 10.217 11.794 ( 3.402 0.000 -11.212) 11.717 11.983 ( -0.180 0.000 -3.771) 3.775 12.121 ( -9.911 0.000 1.983) 10.108 12.276 ( -1.612 0.000 1.285) 2.062 12.485 ( 1.244 0.000 1.744) 2.142 12.593 ( -2.105 0.000 2.775) 3.483 12.695 ( -14.554 0.000 -3.137) 14.888 13.229 ( 10.470 0.000 6.569) 12.360 13.544 ( 1.116 0.000 0.544) 1.241 14.065 ( -0.389 0.000 -5.882) 5.895 14.111 ( 6.434 0.000 6.846) 9.394 14.296 ( 1.628 0.000 1.044) 1.934 14.426 ( -11.124 0.000 -6.680) 12.975 14.764 ( 6.946 0.000 11.146) 13.133 14.820 ( -2.186 0.000 2.002) 2.964 14.880 ( -1.681 0.000 -7.787) 7.966 15.223 ( -9.172 0.000 -7.605) 11.914 15.669 ( 7.334 0.000 6.571) 9.847 16.027 ( -8.190 0.000 -5.417) 9.819 16.306 ( 5.724 0.000 2.891) 6.412 16.356 ( -1.149 0.000 -3.545) 3.726 16.499 ( -0.513 0.000 -5.854) 5.876 16.509 ( -6.215 0.000 1.278) 6.345 17.208 ( 6.106 0.000 -1.143) 6.212 17.253 ( 2.596 0.000 5.259) 5.865 24.866 ( 6.984 0.000 -1.276) 7.100 24.947 ( 4.027 0.000 3.753) 5.505 25.288 ( -4.830 0.000 4.518) 6.613 25.289 ( -0.983 0.000 -5.751) 5.835 25.645 ( 1.258 0.000 2.246) 2.574 25.744 ( -1.191 0.000 -2.257) 2.552 26.080 ( 6.489 0.000 -1.233) 6.605 26.235 ( -1.282 0.000 10.603) 10.680 27.417 ( -9.039 0.000 0.280) 9.043 27.495 ( -6.047 0.000 -9.102) 10.928 27.854 ( 0.135 0.000 7.295) 7.296 27.938 ( 1.093 0.000 -10.777) 10.832 29.844 ( 4.055 0.000 -5.561) 6.882 29.859 ( 0.216 0.000 5.999) 6.003 30.642 ( 0.919 0.000 -1.292) 1.586 30.653 ( -0.422 0.000 2.001) 2.045 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -1.920 0.000 -5.170) 5.515 2.084 ( 1.920 0.000 5.170) 5.515 2.178 ( -5.134 0.000 -8.470) 9.904 2.178 ( 5.134 0.000 8.470) 9.904 2.445 ( -4.960 0.000 -2.080) 5.379 2.445 ( 4.960 0.000 2.080) 5.379 2.834 ( -4.240 0.000 -11.098) 11.880 2.834 ( 4.240 0.000 11.098) 11.880 2.876 ( -3.874 0.000 -6.277) 7.376 2.876 ( 3.874 0.000 6.277) 7.376 3.028 ( -4.578 0.000 -0.541) 4.610 3.028 ( 4.578 0.000 0.541) 4.610 3.487 ( -0.608 0.000 -4.876) 4.914 3.487 ( 0.608 0.000 4.876) 4.914 3.676 ( 1.538 0.000 -3.304) 3.644 3.676 ( -1.538 0.000 3.304) 3.644 3.982 ( 1.485 0.000 -7.414) 7.562 3.982 ( -1.485 0.000 7.414) 7.562 4.199 ( 7.441 0.000 -12.379) 14.443 4.199 ( -7.441 0.000 12.379) 14.443 4.730 ( 6.419 0.000 -5.516) 8.463 4.730 ( -6.419 0.000 5.516) 8.463 4.822 ( -3.535 0.000 -0.744) 3.612 4.822 ( 3.535 0.000 0.744) 3.612 5.645 ( -2.347 0.000 -0.698) 2.449 5.645 ( 2.347 0.000 0.698) 2.449 5.982 ( -3.785 0.000 1.058) 3.930 5.982 ( 3.785 0.000 -1.058) 3.930 6.182 ( -4.949 0.000 0.313) 4.959 6.182 ( 4.949 0.000 -0.313) 4.959 6.400 ( 0.292 0.000 -6.093) 6.100 6.400 ( -0.292 0.000 6.093) 6.100 6.849 ( -5.254 0.000 1.464) 5.454 6.849 ( 5.254 0.000 -1.464) 5.454 7.415 ( -1.613 0.000 -1.613) 2.281 7.415 ( 1.613 0.000 1.613) 2.281 7.575 ( -10.466 0.000 -0.573) 10.482 7.575 ( 10.466 0.000 0.573) 10.482 8.134 ( -3.118 0.000 -3.622) 4.779 8.134 ( 3.118 0.000 3.622) 4.779 8.305 ( -10.621 0.000 -7.180) 12.821 8.305 ( 10.621 0.000 7.180) 12.821 8.603 ( 2.090 0.000 -2.414) 3.193 8.603 ( -2.090 0.000 2.414) 3.193 8.828 ( -5.839 0.000 -4.895) 7.620 8.828 ( 5.839 0.000 4.895) 7.620 9.440 ( 0.881 0.000 -8.538) 8.583 9.440 ( -0.881 0.000 8.538) 8.583 10.387 ( 3.831 0.000 -8.581) 9.398 10.387 ( -3.831 0.000 8.581) 9.398 10.903 ( 3.854 0.000 -6.231) 7.327 10.903 ( -3.854 0.000 6.231) 7.327 11.203 ( -11.545 0.000 -5.245) 12.681 11.203 ( 11.545 0.000 5.245) 12.681 11.762 ( -2.422 0.000 -10.456) 10.732 11.762 ( 2.422 0.000 10.456) 10.732 12.001 ( 4.057 0.000 -2.667) 4.855 12.001 ( -4.057 0.000 2.667) 4.855 12.369 ( -10.869 0.000 -1.718) 11.004 12.369 ( 10.869 0.000 1.718) 11.004 12.563 ( 1.673 0.000 -1.890) 2.524 12.563 ( -1.673 0.000 1.890) 2.524 13.452 ( -8.068 0.000 -7.437) 10.973 13.452 ( 8.068 0.000 7.437) 10.973 14.161 ( -9.438 0.000 -3.871) 10.201 14.161 ( 9.438 0.000 3.871) 10.201 14.259 ( -3.788 0.000 -2.128) 4.345 14.259 ( 3.788 0.000 2.128) 4.345 14.815 ( -0.038 0.000 -6.870) 6.870 14.815 ( 0.038 0.000 6.870) 6.870 15.002 ( -10.127 0.000 -9.804) 14.095 15.002 ( 10.127 0.000 9.804) 14.095 15.846 ( -8.061 0.000 -5.744) 9.898 15.846 ( 8.061 0.000 5.744) 9.898 16.374 ( -1.183 0.000 -2.022) 2.343 16.374 ( 1.183 0.000 2.022) 2.343 16.443 ( 0.382 0.000 -8.423) 8.432 16.443 ( -0.382 0.000 8.423) 8.432 17.279 ( 2.120 0.000 -2.544) 3.311 17.279 ( -2.120 0.000 2.544) 3.311 24.971 ( 3.610 0.000 -1.476) 3.900 24.971 ( -3.610 0.000 1.476) 3.900 25.253 ( 1.234 0.000 -5.943) 6.070 25.253 ( -1.234 0.000 5.943) 6.070 25.693 ( -2.209 0.000 -2.978) 3.708 25.693 ( 2.209 0.000 2.978) 3.708 26.199 ( 7.085 0.000 -6.202) 9.416 26.199 ( -7.085 0.000 6.202) 9.416 27.368 ( -2.338 0.000 -3.893) 4.541 27.368 ( 2.338 0.000 3.893) 4.541 27.896 ( 0.089 0.000 -8.494) 8.494 27.896 ( -0.089 0.000 8.494) 8.494 29.873 ( 2.230 0.000 -6.018) 6.417 29.873 ( -2.230 0.000 6.018) 6.417 30.651 ( 0.680 0.000 -1.149) 1.335 30.651 ( -0.680 0.000 1.149) 1.335 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 5.481 2.817 -12.197) 13.666 1.967 ( -5.481 2.817 12.197) 13.666 2.257 ( -2.370 -1.937 -17.679) 17.942 2.257 ( 2.370 -1.937 17.679) 17.942 2.748 ( -6.963 0.406 -1.735) 7.188 2.748 ( 6.963 0.406 1.735) 7.188 2.910 ( 1.489 -0.988 -5.745) 6.017 2.910 ( -1.489 -0.988 5.745) 6.017 2.985 ( -8.372 4.103 -3.762) 10.053 2.985 ( 8.372 4.103 3.762) 10.053 3.195 ( -0.009 -2.564 -1.493) 2.967 3.195 ( 0.009 -2.564 1.493) 2.967 3.558 ( -3.574 -1.913 -2.315) 4.668 3.558 ( 3.574 -1.913 2.315) 4.668 3.683 ( 4.184 0.595 -3.463) 5.463 3.683 ( -4.184 0.595 3.463) 5.463 4.060 ( -8.865 6.936 -8.160) 13.903 4.060 ( 8.865 6.936 8.160) 13.903 4.319 ( -3.575 1.171 -2.491) 4.512 4.319 ( 3.575 1.171 2.491) 4.512 4.789 ( 0.239 2.270 -9.655) 9.921 4.789 ( -0.239 2.270 9.655) 9.921 4.883 ( 1.617 4.888 -12.457) 13.479 4.883 ( -1.617 4.888 12.457) 13.479 5.505 ( 2.283 -0.775 -3.568) 4.306 5.505 ( -2.283 -0.775 3.568) 4.306 5.901 ( 1.819 2.104 -1.767) 3.295 5.901 ( -1.819 2.104 1.767) 3.295 6.129 ( -2.847 -3.642 -1.170) 4.769 6.129 ( 2.847 -3.642 1.170) 4.769 6.354 ( 0.861 1.409 -5.550) 5.790 6.354 ( -0.861 1.409 5.550) 5.790 6.599 ( -3.245 2.835 -0.941) 4.411 6.599 ( 3.245 2.835 0.941) 4.411 7.259 ( -10.368 -5.773 -0.645) 11.884 7.259 ( 10.368 -5.773 0.645) 11.884 7.654 ( -1.661 6.598 -3.343) 7.581 7.654 ( 1.661 6.598 3.343) 7.581 8.131 ( -1.863 2.306 -5.680) 6.407 8.131 ( 1.863 2.306 5.680) 6.407 8.245 ( -13.020 5.068 -2.258) 14.153 8.245 ( 13.020 5.068 2.258) 14.153 8.697 ( -1.473 -4.052 -1.919) 4.719 8.697 ( 1.473 -4.052 1.919) 4.719 9.086 ( -1.360 1.524 -6.099) 6.432 9.086 ( 1.360 1.524 6.099) 6.432 9.258 ( 1.318 -2.109 -8.082) 8.457 9.258 ( -1.318 -2.109 8.082) 8.457 10.583 ( -2.400 -1.791 -6.753) 7.388 10.583 ( 2.400 -1.791 6.753) 7.388 10.714 ( -3.215 3.173 -2.402) 5.116 10.714 ( 3.215 3.173 2.402) 5.116 10.966 ( -3.530 -2.381 -4.174) 5.963 10.966 ( 3.530 -2.381 4.174) 5.963 11.683 ( 2.953 -9.628 -9.860) 14.094 11.683 ( -2.953 -9.628 9.860) 14.094 12.183 ( -10.926 -2.957 -0.875) 11.353 12.183 ( 10.926 -2.957 0.875) 11.353 12.486 ( -7.393 1.897 -3.103) 8.239 12.486 ( 7.393 1.897 3.103) 8.239 12.752 ( -8.616 8.164 -8.320) 14.496 12.752 ( 8.616 8.164 8.320) 14.496 13.220 ( -5.378 -7.765 -8.172) 12.490 13.220 ( 5.378 -7.765 8.172) 12.490 14.034 ( -3.244 2.540 -3.029) 5.114 14.034 ( 3.244 2.540 3.029) 5.114 14.374 ( -5.123 -1.684 -12.264) 13.397 14.374 ( 5.123 -1.684 12.264) 13.397 14.702 ( -6.034 -3.711 -5.238) 8.810 14.702 ( 6.034 -3.711 5.238) 8.810 15.178 ( -12.077 -1.092 -7.393) 14.202 15.178 ( 12.077 -1.092 7.393) 14.202 15.967 ( -12.616 6.068 -5.066) 14.888 15.967 ( 12.616 6.068 5.066) 14.888 16.417 ( -5.352 2.029 -2.921) 6.426 16.417 ( 5.352 2.029 2.921) 6.426 16.599 ( -2.403 0.092 -3.677) 4.393 16.599 ( 2.403 0.092 3.677) 4.393 17.021 ( -0.631 -2.380 -5.855) 6.351 17.021 ( 0.631 -2.380 5.855) 6.351 24.756 ( -1.145 0.777 -2.735) 3.065 24.756 ( 1.145 0.777 2.735) 3.065 25.361 ( 1.687 -0.324 -5.265) 5.538 25.361 ( -1.687 -0.324 5.265) 5.538 25.665 ( -2.033 -0.104 -2.182) 2.984 25.665 ( 2.033 -0.104 2.182) 2.984 26.030 ( -2.268 -3.401 -4.505) 6.083 26.030 ( 2.268 -3.401 4.505) 6.083 27.668 ( -4.940 -7.380 -2.632) 9.262 27.668 ( 4.940 -7.380 2.632) 9.262 27.831 ( -2.182 -2.752 -7.660) 8.427 27.831 ( 2.182 -2.752 7.660) 8.427 29.803 ( 2.821 2.481 -4.027) 5.507 29.803 ( -2.821 2.481 4.027) 5.507 30.760 ( 1.820 10.189 -4.214) 11.175 30.760 ( -1.820 10.189 4.214) 11.175 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.625 1.590 0.230) 1.724 2.033 ( 8.189 4.095 -14.017) 16.742 2.180 ( 1.981 1.696 -5.242) 5.855 2.375 ( -2.676 -7.737 10.729) 13.496 2.525 ( -9.969 -0.035 6.137) 11.706 2.764 ( -7.460 5.762 -1.064) 9.487 2.826 ( -5.538 5.111 2.887) 8.070 2.886 ( -1.778 -1.783 -6.386) 6.865 2.912 ( -0.887 -0.957 2.823) 3.110 3.077 ( -4.603 0.093 -2.223) 5.112 3.132 ( 0.706 -0.444 2.291) 2.438 3.241 ( 1.263 -0.384 0.218) 1.338 3.482 ( -4.229 -0.110 1.416) 4.461 3.618 ( -0.625 -0.021 1.740) 1.849 3.687 ( 2.218 2.189 -0.546) 3.164 3.739 ( 2.642 0.449 -1.240) 2.953 3.849 ( -4.919 1.983 -8.686) 10.177 4.183 ( 3.112 8.149 -9.507) 12.903 4.261 ( -1.137 2.030 2.704) 3.567 4.360 ( -0.152 6.455 0.397) 6.469 4.706 ( -1.104 3.673 -6.750) 7.764 4.751 ( -3.704 2.660 4.026) 6.083 4.889 ( 2.465 1.976 -5.630) 6.456 4.964 ( -2.459 2.422 12.539) 13.006 5.463 ( -0.392 -2.482 0.738) 2.619 5.528 ( 0.675 -2.643 0.571) 2.787 5.897 ( 0.656 0.229 2.945) 3.026 5.933 ( 1.555 1.795 0.402) 2.408 6.107 ( -0.843 -4.372 1.439) 4.680 6.216 ( 2.925 -2.360 3.303) 5.003 6.341 ( 0.058 1.852 1.699) 2.514 6.390 ( 3.007 4.055 -0.294) 5.056 6.626 ( 6.909 0.810 1.248) 7.067 6.747 ( 8.642 4.490 2.150) 9.974 7.122 ( -1.525 -5.574 -0.121) 5.780 7.418 ( 4.154 -5.793 -0.690) 7.162 7.595 ( -2.451 3.416 -5.435) 6.871 7.754 ( 8.829 5.793 -0.371) 10.566 7.973 ( -11.681 0.699 -5.648) 12.993 8.082 ( -0.869 0.967 -0.898) 1.580 8.208 ( 1.151 6.103 7.846) 10.007 8.437 ( 5.070 3.507 1.862) 6.439 8.658 ( -2.420 -1.939 1.215) 3.330 8.729 ( -0.414 -6.907 2.377) 7.317 8.883 ( -10.800 1.267 -5.414) 12.147 9.002 ( -3.810 3.028 -5.102) 7.051 9.312 ( 3.921 -2.372 7.122) 8.469 9.441 ( 7.359 0.102 1.860) 7.591 10.427 ( -5.266 -0.929 -1.853) 5.660 10.577 ( -8.266 4.415 4.756) 10.509 10.753 ( 7.940 -1.085 -6.591) 10.376 10.829 ( 6.599 2.183 1.141) 7.044 10.915 ( -0.816 -2.388 -0.742) 2.631 11.152 ( 12.852 -4.237 6.229) 14.897 11.611 ( -4.253 -9.984 0.703) 10.875 11.684 ( -0.934 -5.629 -11.782) 13.091 11.999 ( -7.632 -5.668 4.965) 10.725 12.271 ( -9.920 -1.928 -5.718) 11.611 12.360 ( 3.542 -1.238 3.673) 5.251 12.559 ( -1.981 10.773 -5.521) 12.266 12.610 ( -1.816 1.752 3.811) 4.571 12.934 ( 0.652 5.606 8.038) 9.821 13.103 ( 1.219 -1.577 -5.900) 6.227 13.375 ( 6.559 -6.964 7.976) 12.455 13.950 ( -0.934 -0.866 3.984) 4.183 14.186 ( 3.312 2.039 -4.099) 5.651 14.210 ( -2.286 -1.360 -5.921) 6.491 14.516 ( 0.837 -2.547 8.127) 8.558 14.573 ( -2.698 -6.156 -4.264) 7.960 14.808 ( 1.355 -4.822 -0.831) 5.078 14.950 ( -5.653 -0.343 -1.094) 5.768 15.452 ( 12.157 3.724 4.884) 13.620 15.633 ( -17.404 4.424 -5.423) 18.758 16.171 ( 4.012 3.388 0.463) 5.271 16.276 ( -3.862 4.128 -1.015) 5.743 16.459 ( -3.445 0.271 -5.162) 6.212 16.537 ( 0.252 2.538 -1.418) 2.918 16.604 ( -2.152 0.401 -1.046) 2.426 17.061 ( 6.253 -2.862 -1.113) 6.966 17.127 ( 5.341 -1.570 6.447) 8.518 24.773 ( 4.063 0.741 -1.682) 4.459 24.838 ( 5.308 0.746 3.917) 6.638 25.329 ( -3.825 -1.223 2.711) 4.845 25.344 ( -0.605 0.275 -4.798) 4.844 25.633 ( -0.499 0.333 0.291) 0.667 25.723 ( 2.139 -1.114 1.193) 2.690 25.982 ( -0.215 -3.256 -1.876) 3.763 26.107 ( 2.266 -4.910 6.075) 8.133 27.513 ( -9.397 -7.426 0.378) 11.983 27.685 ( -5.918 0.435 -7.534) 9.590 27.768 ( 3.104 -4.748 1.924) 5.990 27.916 ( 2.955 -3.337 -2.114) 4.934 29.775 ( -1.229 0.751 3.464) 3.752 29.847 ( 2.642 1.501 -2.846) 4.163 30.753 ( -1.251 9.347 4.257) 10.347 30.773 ( 1.783 10.870 -3.917) 11.691 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 4.376 0.456 -10.663) 11.535 2.121 ( 1.075 4.119 -4.984) 6.554 2.168 ( 0.034 0.532 1.805) 1.882 2.317 ( 3.074 -0.950 1.727) 3.652 2.528 ( -4.245 -0.582 11.146) 11.941 2.622 ( -7.043 9.665 0.086) 11.959 2.716 ( -6.132 2.325 4.059) 7.712 2.805 ( -2.731 -5.334 -7.763) 9.807 2.917 ( 0.410 3.258 2.798) 4.314 2.964 ( -3.988 -1.870 3.202) 5.446 3.112 ( -3.160 5.021 -3.656) 6.969 3.199 ( -6.748 3.363 -2.986) 8.109 3.430 ( -1.491 -2.980 -0.353) 3.351 3.480 ( -5.011 -0.878 -4.549) 6.824 3.752 ( 3.088 4.207 5.741) 7.758 3.797 ( 3.852 7.663 -5.802) 10.355 3.880 ( 5.827 -2.528 2.582) 6.856 4.167 ( -7.432 8.855 0.778) 11.587 4.198 ( 4.958 5.088 -15.654) 17.191 4.323 ( -5.586 4.840 4.541) 8.674 4.712 ( 4.861 2.701 -10.760) 12.112 4.744 ( -0.942 2.531 9.527) 9.903 4.873 ( -1.088 1.424 -3.500) 3.932 4.917 ( -6.391 3.236 8.982) 11.489 5.519 ( 4.666 -5.121 -0.339) 6.936 5.557 ( 1.015 -5.734 3.684) 6.891 5.932 ( 1.489 -1.030 1.858) 2.594 5.987 ( 3.305 -0.380 3.437) 4.783 6.065 ( -3.797 -4.744 -0.417) 6.091 6.203 ( -4.509 -2.869 -0.319) 5.354 6.394 ( 2.666 3.059 5.494) 6.830 6.454 ( 3.133 4.452 -1.863) 5.754 6.801 ( 10.399 5.264 -1.195) 11.716 6.904 ( 5.692 3.507 4.748) 8.200 7.214 ( 9.269 -6.785 0.883) 11.521 7.428 ( -0.301 -2.367 -1.177) 2.660 7.504 ( -3.934 2.646 -5.392) 7.180 7.706 ( -10.962 -5.689 -5.409) 13.483 7.971 ( 8.119 -2.919 2.128) 8.886 8.119 ( 4.767 2.602 4.158) 6.840 8.223 ( -2.301 3.432 -1.506) 4.398 8.435 ( -5.844 -2.415 -0.024) 6.323 8.633 ( -0.623 2.835 4.460) 5.321 8.687 ( -2.492 -3.564 -0.491) 4.377 8.756 ( -1.288 2.223 0.729) 2.671 8.945 ( -1.104 3.546 -5.947) 7.011 9.401 ( 2.398 -0.924 4.755) 5.404 9.505 ( -0.562 1.527 0.307) 1.655 10.377 ( 1.504 0.734 -5.323) 5.580 10.469 ( -6.546 3.510 6.975) 10.189 10.832 ( 5.110 -1.154 -5.946) 7.924 10.899 ( -1.239 -1.687 3.252) 3.867 10.993 ( 9.139 0.988 1.871) 9.381 11.372 ( -0.779 -6.485 -2.049) 6.845 11.540 ( 3.048 -2.956 2.093) 4.734 11.622 ( 2.030 -9.933 -6.201) 11.885 11.947 ( -2.809 -7.582 4.666) 9.335 12.061 ( -8.302 -1.688 -0.724) 8.503 12.401 ( 0.807 6.386 -3.702) 7.426 12.491 ( -2.074 1.209 0.970) 2.589 12.610 ( -1.428 4.555 2.384) 5.335 12.787 ( -10.352 5.399 -3.878) 12.302 13.274 ( 10.680 3.096 6.756) 13.011 13.523 ( 4.025 -2.460 5.201) 7.022 13.985 ( -0.721 -4.340 -0.100) 4.401 14.091 ( 1.377 -4.352 -0.546) 4.597 14.262 ( -1.062 -0.310 -3.016) 3.213 14.351 ( -7.711 -6.672 -7.764) 12.816 14.669 ( 2.788 -7.365 9.676) 12.476 14.827 ( 4.127 -2.243 -2.970) 5.557 14.899 ( -2.231 3.126 1.159) 4.011 15.303 ( -12.585 5.363 -7.445) 15.575 15.696 ( 9.948 3.257 5.905) 12.018 16.063 ( -7.602 3.037 -4.355) 9.272 16.354 ( 4.607 4.047 4.923) 7.863 16.378 ( -0.106 1.562 -5.438) 5.659 16.501 ( -5.283 0.531 2.623) 5.923 16.540 ( -1.770 2.571 -6.798) 7.480 17.186 ( 6.389 -2.034 -0.422) 6.718 17.238 ( 2.790 -1.448 4.438) 5.438 24.874 ( 7.112 0.774 -1.054) 7.231 24.962 ( 4.622 1.318 3.786) 6.118 25.259 ( -4.882 -2.312 3.370) 6.367 25.292 ( -1.816 -0.003 -5.598) 5.885 25.647 ( 1.139 0.132 1.961) 2.272 25.732 ( -0.993 -1.057 -1.474) 2.068 26.017 ( 4.413 -5.231 -0.461) 6.860 26.153 ( -1.516 -7.243 6.133) 9.611 27.376 ( -4.359 -1.870 1.310) 4.921 27.525 ( -6.160 1.787 -9.053) 11.095 27.829 ( 1.897 -2.698 4.052) 5.225 27.922 ( -0.041 -1.959 -4.399) 4.816 29.794 ( 1.089 -1.694 3.232) 3.808 29.861 ( 0.362 -0.733 -2.679) 2.801 30.759 ( -0.645 9.145 4.423) 10.179 30.780 ( 1.136 10.624 -4.031) 11.420 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 5.072 -1.408 -10.224) 11.499 2.021 ( -5.072 -1.408 10.224) 11.499 2.324 ( 0.633 7.055 -9.857) 12.138 2.324 ( -0.633 7.055 9.857) 12.138 2.492 ( -3.943 4.362 -6.889) 9.057 2.492 ( 3.943 4.362 6.889) 9.057 2.717 ( -1.841 -3.682 -6.905) 8.039 2.717 ( 1.841 -3.682 6.905) 8.039 2.969 ( -1.213 3.002 -2.153) 3.888 2.969 ( 1.213 3.002 2.153) 3.888 3.051 ( -2.605 3.437 -3.763) 5.723 3.051 ( 2.605 3.437 3.763) 5.723 3.429 ( 1.062 -2.566 -2.528) 3.755 3.429 ( -1.062 -2.566 2.528) 3.755 3.812 ( 1.306 7.552 -8.874) 11.725 3.812 ( -1.306 7.552 8.874) 11.725 4.014 ( -1.364 2.318 -8.309) 8.733 4.014 ( 1.364 2.318 8.309) 8.733 4.240 ( 7.022 5.004 -12.464) 15.156 4.240 ( -7.022 5.004 12.464) 15.156 4.747 ( 4.393 2.912 -10.755) 11.977 4.747 ( -4.393 2.912 10.755) 11.977 4.867 ( 2.503 3.061 -10.029) 10.781 4.867 ( -2.503 3.061 10.029) 10.781 5.576 ( 1.703 -6.887 -3.205) 7.785 5.576 ( -1.703 -6.887 3.205) 7.785 5.982 ( -3.389 -1.264 -0.612) 3.669 5.982 ( 3.389 -1.264 0.612) 3.669 6.094 ( -4.668 -4.152 -3.082) 6.966 6.094 ( 4.668 -4.152 3.082) 6.966 6.458 ( -0.389 3.921 -5.273) 6.582 6.458 ( 0.389 3.921 5.273) 6.582 6.945 ( 3.069 5.907 -4.856) 8.240 6.945 ( -3.069 5.907 4.856) 8.240 7.393 ( -6.261 -0.634 -3.263) 7.089 7.393 ( 6.261 -0.634 3.263) 7.089 7.485 ( -7.177 -7.264 -4.206) 11.044 7.485 ( 7.177 -7.264 4.206) 11.044 8.111 ( -5.900 -3.048 -4.490) 8.016 8.111 ( 5.900 -3.048 4.490) 8.016 8.283 ( -8.698 -0.305 -1.740) 8.876 8.283 ( 8.698 -0.305 1.740) 8.876 8.650 ( 1.310 1.905 -2.477) 3.389 8.650 ( -1.310 1.905 2.477) 3.389 8.844 ( -4.862 2.850 -8.171) 9.926 8.844 ( 4.862 2.850 8.171) 9.926 9.463 ( 0.146 1.417 -5.844) 6.015 9.463 ( -0.146 1.417 5.844) 6.015 10.405 ( 4.729 1.929 -8.132) 9.603 10.405 ( -4.729 1.929 8.132) 9.603 10.882 ( 3.108 -1.609 -5.078) 6.167 10.882 ( -3.108 -1.609 5.078) 6.167 11.192 ( -10.202 -0.854 -4.599) 11.223 11.192 ( 10.202 -0.854 4.599) 11.223 11.634 ( 5.321 -10.633 -12.073) 16.945 11.634 ( -5.321 -10.633 12.073) 16.945 11.961 ( -0.341 -2.572 -2.664) 3.719 11.961 ( 0.341 -2.572 2.664) 3.719 12.432 ( 4.831 3.887 -4.834) 7.862 12.432 ( -4.831 3.887 4.834) 7.862 12.631 ( -3.723 5.981 -1.840) 7.281 12.631 ( 3.723 5.981 1.840) 7.281 13.489 ( -6.163 2.088 -6.799) 9.411 13.489 ( 6.163 2.088 6.799) 9.411 14.039 ( -6.686 -7.778 -5.230) 11.513 14.039 ( 6.686 -7.778 5.230) 11.513 14.248 ( -3.674 -2.681 -2.970) 5.432 14.248 ( 3.674 -2.681 2.970) 5.432 14.758 ( -2.415 -5.048 -9.757) 11.248 14.758 ( 2.415 -5.048 9.757) 11.248 15.054 ( -10.547 4.274 -7.547) 13.655 15.054 ( 10.547 4.274 7.547) 13.655 15.892 ( -8.360 4.052 -4.908) 10.507 15.892 ( 8.360 4.052 4.908) 10.507 16.405 ( -0.067 1.668 -2.141) 2.715 16.405 ( 0.067 1.668 2.141) 2.715 16.462 ( -1.927 2.571 -7.912) 8.540 16.462 ( 1.927 2.571 7.912) 8.540 17.262 ( 1.791 -1.554 -2.512) 3.454 17.262 ( -1.791 -1.554 2.512) 3.454 24.988 ( -0.390 1.541 -0.986) 1.871 24.988 ( 0.390 1.541 0.986) 1.871 25.233 ( -0.136 -1.849 -6.070) 6.347 25.233 ( 0.136 -1.849 6.070) 6.347 25.689 ( -1.995 -0.354 -2.406) 3.146 25.689 ( 1.995 -0.354 2.406) 3.146 26.108 ( 2.981 -7.547 -2.931) 8.628 26.108 ( -2.981 -7.547 2.931) 8.628 27.389 ( -3.208 1.853 -5.716) 6.812 27.389 ( 3.208 1.853 5.716) 6.812 27.883 ( -0.711 -1.696 -5.656) 5.948 27.883 ( 0.711 -1.696 5.656) 5.948 29.836 ( 0.436 -2.211 -5.735) 6.162 29.836 ( -0.436 -2.211 5.735) 6.162 30.772 ( 1.077 9.745 -5.620) 11.301 30.772 ( -1.077 9.745 5.620) 11.301 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 6.505 3.515 -9.881) 12.341 2.038 ( -6.505 3.515 9.881) 12.341 2.255 ( -1.566 2.495 -12.402) 12.747 2.255 ( 1.566 2.495 12.402) 12.747 2.700 ( -7.891 -4.801 -1.135) 9.306 2.700 ( 7.891 -4.801 1.135) 9.306 2.847 ( 1.587 -5.436 -2.451) 6.171 2.847 ( -1.587 -5.436 2.451) 6.171 3.084 ( -6.733 5.543 -3.728) 9.484 3.084 ( 6.733 5.543 3.728) 9.484 3.211 ( 1.940 3.868 -4.171) 6.011 3.211 ( -1.940 3.868 4.171) 6.011 3.493 ( -3.719 -4.363 -2.460) 6.239 3.493 ( 3.719 -4.363 2.460) 6.239 3.686 ( 3.139 -0.072 -3.520) 4.717 3.686 ( -3.139 -0.072 3.520) 4.717 4.256 ( -7.889 10.219 -10.534) 16.662 4.256 ( 7.889 10.219 10.534) 16.662 4.439 ( -3.718 10.064 -7.423) 13.047 4.439 ( 3.718 10.064 7.423) 13.047 4.815 ( 0.170 0.848 -5.346) 5.416 4.815 ( -0.170 0.848 5.346) 5.416 4.973 ( -0.701 3.584 -6.971) 7.870 4.973 ( 0.701 3.584 6.971) 7.870 5.466 ( 0.255 -3.956 -3.284) 5.148 5.466 ( -0.255 -3.956 3.284) 5.148 5.855 ( 2.639 -8.562 -4.346) 9.958 5.855 ( -2.639 -8.562 4.346) 9.958 6.087 ( -3.113 2.153 0.379) 3.804 6.087 ( 3.113 2.153 -0.379) 3.804 6.416 ( -0.099 4.289 -4.339) 6.102 6.416 ( 0.099 4.289 4.339) 6.102 6.669 ( -5.896 2.683 -0.931) 6.544 6.669 ( 5.896 2.683 0.931) 6.544 7.166 ( -9.485 -2.444 0.435) 9.804 7.166 ( 9.485 -2.444 -0.435) 9.804 7.800 ( -4.858 6.913 -7.527) 11.315 7.800 ( 4.858 6.913 7.527) 11.315 8.190 ( -7.567 1.963 -4.963) 9.260 8.190 ( 7.567 1.963 4.963) 9.260 8.327 ( -10.546 2.848 -7.895) 13.478 8.327 ( 10.546 2.848 7.895) 13.478 8.626 ( -3.225 -1.784 -1.880) 4.138 8.626 ( 3.225 -1.784 1.880) 4.138 9.076 ( -3.245 -4.109 -8.493) 9.977 9.076 ( 3.245 -4.109 8.493) 9.977 9.234 ( -4.376 1.264 -10.966) 11.874 9.234 ( 4.376 1.264 10.966) 11.874 10.527 ( -1.097 -3.662 -6.059) 7.164 10.527 ( 1.097 -3.662 6.059) 7.164 10.771 ( 5.478 2.208 -4.806) 7.615 10.771 ( -5.478 2.208 4.806) 7.615 10.969 ( -0.312 3.447 -3.333) 4.804 10.969 ( 0.312 3.447 3.333) 4.804 11.462 ( 3.123 -10.658 -12.557) 16.764 11.462 ( -3.123 -10.658 12.557) 16.764 12.128 ( -11.448 -1.908 -5.197) 12.717 12.128 ( 11.448 -1.909 5.197) 12.717 12.463 ( -12.750 -5.449 -5.677) 14.983 12.463 ( 12.750 -5.449 5.677) 14.983 12.870 ( -3.963 3.365 -7.750) 9.333 12.870 ( 3.963 3.365 7.750) 9.333 13.147 ( -2.963 1.690 -9.883) 10.455 13.147 ( 2.963 1.690 9.883) 10.455 14.074 ( 1.132 1.169 -2.486) 2.971 14.074 ( -1.132 1.169 2.486) 2.971 14.316 ( -1.869 -4.095 -10.588) 11.506 14.316 ( 1.869 -4.095 10.588) 11.506 14.624 ( -4.612 -2.716 -4.951) 7.291 14.624 ( 4.612 -2.716 4.951) 7.291 15.174 ( -10.977 0.802 -9.646) 14.635 15.174 ( 10.977 0.802 9.646) 14.635 16.095 ( -10.896 5.488 -5.148) 13.242 16.095 ( 10.896 5.488 5.148) 13.242 16.471 ( -1.894 2.783 -1.358) 3.630 16.471 ( 1.894 2.783 1.358) 3.630 16.600 ( 0.166 0.166 -3.409) 3.417 16.600 ( -0.166 0.166 3.409) 3.417 16.951 ( -2.565 -4.158 -3.935) 6.273 16.951 ( 2.565 -4.158 3.935) 6.273 24.779 ( -1.061 1.281 -2.007) 2.607 24.779 ( 1.061 1.281 2.007) 2.607 25.352 ( 2.307 -0.458 -3.726) 4.406 25.352 ( -2.307 -0.458 3.726) 4.406 25.665 ( -0.479 0.181 -2.066) 2.129 25.665 ( 0.479 0.181 2.066) 2.129 25.935 ( -0.194 -5.099 -3.982) 6.472 25.935 ( 0.194 -5.099 3.982) 6.472 27.497 ( -4.111 -7.275 -1.904) 8.570 27.497 ( 4.111 -7.275 1.904) 8.570 27.785 ( -2.327 -1.753 -6.600) 7.214 27.785 ( 2.327 -1.753 6.600) 7.214 29.860 ( 2.681 2.606 -3.413) 5.062 29.860 ( -2.681 2.606 3.413) 5.062 30.989 ( 1.478 10.098 -2.636) 10.540 30.989 ( -1.478 10.098 2.636) 10.540 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -1.392 1.595 4.434) 4.913 2.152 ( 3.415 6.119 -8.621) 11.109 2.211 ( 7.872 0.389 -2.519) 8.274 2.306 ( -4.178 3.059 5.813) 7.784 2.503 ( -7.562 -1.281 4.658) 8.973 2.782 ( -2.886 -3.212 -3.556) 5.593 2.813 ( -2.761 -5.666 2.814) 6.902 2.888 ( 2.552 -3.279 -1.264) 4.343 2.968 ( -2.775 8.648 1.059) 9.144 3.091 ( -7.540 3.200 3.582) 8.940 3.201 ( 2.528 3.173 2.236) 4.633 3.248 ( 0.676 3.548 -1.130) 3.784 3.449 ( -3.098 -3.494 3.921) 6.098 3.604 ( 4.408 -3.543 5.986) 8.235 3.678 ( 4.666 -0.611 1.476) 4.932 3.724 ( -1.476 0.326 -3.035) 3.391 4.027 ( -6.224 11.940 -15.196) 20.303 4.353 ( -1.424 6.260 -3.929) 7.527 4.417 ( 5.739 12.747 -2.740) 14.245 4.547 ( 1.805 11.482 4.332) 12.404 4.791 ( -1.706 0.589 1.397) 2.282 4.796 ( -1.272 1.355 -4.412) 4.787 4.878 ( -3.805 2.154 3.288) 5.471 5.029 ( -0.536 2.017 1.849) 2.788 5.378 ( -2.906 -4.682 -1.392) 5.683 5.489 ( -0.736 -2.779 0.037) 2.875 5.828 ( -2.371 -8.597 2.672) 9.309 5.882 ( 1.676 -8.143 -2.604) 8.712 6.069 ( -0.561 3.131 2.095) 3.808 6.178 ( 4.181 -0.201 1.169) 4.346 6.403 ( 1.216 4.574 1.276) 4.902 6.495 ( 4.440 5.084 1.332) 6.880 6.649 ( 5.379 0.677 1.535) 5.635 6.837 ( 9.574 2.790 1.445) 10.076 7.019 ( -5.503 -2.844 2.510) 6.684 7.325 ( 6.334 -3.464 0.378) 7.230 7.655 ( -5.937 2.465 -7.014) 9.514 7.897 ( 1.970 7.882 -3.711) 8.932 7.970 ( -12.962 -2.068 -2.361) 13.336 8.126 ( -2.522 4.242 -1.842) 5.267 8.343 ( 2.958 5.080 2.889) 6.550 8.469 ( -0.111 -0.329 -3.831) 3.847 8.568 ( -1.016 -6.934 2.264) 7.365 8.686 ( 1.770 4.218 5.980) 7.529 8.851 ( -10.523 -5.855 -3.189) 12.458 9.085 ( 0.208 6.664 -6.635) 9.406 9.261 ( 5.119 -3.389 4.410) 7.559 9.424 ( 6.136 -1.665 6.995) 9.452 10.419 ( -1.721 0.310 -2.564) 3.103 10.675 ( -4.966 2.240 1.314) 5.604 10.712 ( 7.489 -1.115 -1.526) 7.723 10.867 ( 7.367 0.574 -4.613) 8.711 10.911 ( -1.390 3.071 2.422) 4.151 11.070 ( 5.926 -1.681 1.528) 6.347 11.409 ( -1.641 -8.626 5.505) 10.364 11.533 ( 2.264 -9.176 -4.371) 10.413 11.884 ( -11.434 -3.609 0.607) 12.005 12.185 ( -12.934 -7.266 -2.651) 15.070 12.334 ( 7.140 -0.015 4.418) 8.396 12.646 ( 1.569 -0.237 1.131) 1.949 12.769 ( -1.034 8.946 -3.916) 9.821 12.958 ( 0.146 -2.077 2.275) 3.084 13.097 ( 3.542 -0.236 -3.462) 4.959 13.294 ( 6.150 0.660 12.251) 13.724 13.956 ( -5.234 1.296 2.062) 5.773 14.170 ( 2.176 -2.593 -5.727) 6.652 14.199 ( -2.461 -0.404 -7.252) 7.669 14.393 ( -0.633 -8.891 3.194) 9.468 14.500 ( -5.136 0.462 -1.831) 5.473 14.698 ( 1.330 -5.533 0.296) 5.698 14.983 ( -3.052 4.031 -0.130) 5.058 15.432 ( 6.471 -4.664 6.568) 10.333 15.820 ( -9.517 11.714 -7.646) 16.919 16.227 ( -0.140 1.542 -2.827) 3.223 16.398 ( -1.758 6.412 4.912) 8.267 16.467 ( -2.710 0.797 -3.060) 4.165 16.572 ( -2.182 0.016 1.129) 2.457 16.623 ( 1.419 1.242 -4.644) 5.012 16.987 ( 7.028 -3.571 -0.096) 7.884 17.074 ( 6.446 -3.422 4.545) 8.597 24.796 ( 3.766 1.496 -0.957) 4.164 24.856 ( 5.381 0.690 3.052) 6.224 25.303 ( -4.547 -0.925 1.758) 4.961 25.347 ( -0.228 -0.209 -5.446) 5.454 25.644 ( -0.538 0.755 0.542) 1.074 25.698 ( 1.082 -1.051 1.164) 1.905 25.899 ( -0.971 -4.195 -0.871) 4.393 25.974 ( 0.935 -6.955 1.699) 7.220 27.396 ( -4.072 -3.134 0.870) 5.211 27.618 ( 6.043 -8.330 -1.306) 10.374 27.693 ( -3.642 0.586 -5.804) 6.877 27.844 ( 0.570 -3.421 4.924) 6.023 29.822 ( -3.004 3.006 3.641) 5.596 29.874 ( 0.677 1.208 -3.257) 3.539 30.969 ( -1.268 9.888 1.786) 10.127 31.006 ( 1.037 9.726 -2.078) 10.000 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 2.521 2.006 -5.670) 6.522 2.127 ( -6.821 -0.656 5.627) 8.866 2.233 ( 1.887 3.407 5.853) 7.030 2.419 ( 10.694 6.941 -5.326) 13.817 2.490 ( 1.097 1.573 3.388) 3.893 2.657 ( -6.770 -3.609 -5.742) 9.583 2.746 ( -5.504 -2.651 6.488) 8.911 2.883 ( -2.853 7.184 4.089) 8.745 2.912 ( -3.906 2.498 3.210) 5.639 3.067 ( 2.981 8.031 1.580) 8.711 3.237 ( -1.577 4.191 -2.758) 5.259 3.257 ( 2.284 1.694 0.401) 2.872 3.395 ( -4.800 1.204 -0.643) 4.991 3.482 ( -10.484 1.759 -4.869) 11.693 3.783 ( 6.578 -1.515 5.586) 8.762 3.829 ( 7.004 -1.386 4.174) 8.270 3.956 ( 3.454 6.923 -8.171) 11.253 4.246 ( -7.751 2.714 -8.799) 12.036 4.464 ( 0.945 14.031 -6.071) 15.317 4.486 ( -5.791 10.955 2.465) 12.635 4.796 ( 3.501 -0.930 -3.766) 5.225 4.825 ( 1.385 4.307 4.504) 6.384 4.862 ( 0.405 2.688 4.731) 5.456 4.987 ( -3.722 1.822 0.253) 4.152 5.365 ( 2.186 -6.044 -2.539) 6.910 5.469 ( -2.626 -2.810 3.478) 5.185 5.806 ( -0.327 -11.041 0.673) 11.066 5.879 ( -1.025 -8.780 -1.357) 8.943 6.071 ( 0.016 3.489 2.202) 4.126 6.186 ( -3.153 0.610 -0.258) 3.222 6.474 ( 4.119 5.163 3.782) 7.611 6.571 ( 2.199 6.238 0.608) 6.642 6.830 ( 11.254 -2.807 -1.925) 11.757 6.946 ( 2.722 1.618 1.817) 3.651 7.087 ( 8.439 -6.344 5.619) 11.960 7.379 ( 0.246 -4.910 -2.252) 5.408 7.514 ( -5.549 -0.071 -3.822) 6.739 7.683 ( -11.879 4.423 -4.588) 13.480 7.933 ( 3.130 -0.155 -3.838) 4.955 8.139 ( -1.935 -1.352 2.011) 3.101 8.285 ( -2.746 2.875 -5.238) 6.576 8.396 ( -5.971 -0.485 2.553) 6.512 8.577 ( 2.952 -5.832 -5.004) 8.232 8.710 ( -5.676 -1.779 3.130) 6.722 8.801 ( 5.637 7.232 10.010) 13.575 9.064 ( -0.157 7.496 -7.106) 10.330 9.374 ( 4.683 -2.446 3.289) 6.224 9.499 ( -0.693 -2.376 3.716) 4.465 10.420 ( 3.577 3.403 -5.687) 7.531 10.566 ( -7.109 5.443 4.788) 10.154 10.810 ( 4.731 -0.784 -4.134) 6.332 10.879 ( -1.149 0.535 1.460) 1.933 11.037 ( 8.726 2.753 -0.864) 9.191 11.175 ( 5.062 -10.247 -3.063) 11.832 11.445 ( -2.524 -8.690 9.922) 13.428 11.451 ( -5.455 -5.114 -7.123) 10.327 11.789 ( 0.962 -4.764 4.115) 6.368 12.010 ( -5.427 -3.917 0.945) 6.759 12.446 ( 2.613 0.728 4.622) 5.359 12.565 ( -3.622 3.729 -6.981) 8.704 12.774 ( -0.861 9.690 2.215) 9.977 12.875 ( -6.199 3.069 -3.071) 7.568 13.247 ( 10.117 -6.726 2.748) 12.455 13.463 ( 3.431 -3.468 10.485) 11.565 13.912 ( -1.385 -0.894 2.331) 2.855 14.063 ( -4.259 1.156 -4.701) 6.448 14.186 ( -0.178 -5.594 -7.392) 9.272 14.255 ( -6.266 -2.732 -7.055) 9.823 14.529 ( 2.482 -5.241 7.553) 9.523 14.707 ( -0.680 -7.528 -3.099) 8.170 15.003 ( 2.997 5.885 4.407) 7.940 15.352 ( -10.436 -1.331 -3.361) 11.045 15.834 ( 8.290 9.393 0.314) 12.532 16.128 ( -6.311 2.479 -2.732) 7.310 16.397 ( -0.665 1.217 1.032) 1.728 16.459 ( 2.433 4.660 0.049) 5.257 16.526 ( -3.186 1.695 1.105) 3.775 16.594 ( -1.427 1.819 -4.713) 5.249 17.133 ( 6.981 -2.635 0.258) 7.466 17.192 ( 3.387 -2.919 3.070) 5.424 24.897 ( 7.069 1.432 -0.232) 7.216 24.990 ( 6.287 0.838 3.867) 7.429 25.209 ( -6.026 -1.782 1.330) 6.423 25.286 ( -3.015 -0.812 -6.249) 6.985 25.652 ( 0.762 0.445 1.346) 1.609 25.706 ( -0.625 -1.286 -0.072) 1.432 25.900 ( 1.329 -5.174 0.300) 5.350 25.978 ( -1.220 -8.194 0.599) 8.306 27.372 ( 0.492 1.490 3.271) 3.628 27.563 ( -4.594 1.730 -7.983) 9.372 27.733 ( 4.749 -5.923 0.980) 7.655 27.854 ( -1.622 -4.227 2.511) 5.177 29.801 ( -1.197 1.854 3.740) 4.343 29.853 ( -0.877 0.189 -3.369) 3.487 30.965 ( -0.143 9.328 1.982) 9.537 31.002 ( -0.139 9.155 -2.266) 9.433 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 4.449 2.441 -7.600) 9.138 2.039 ( -4.449 2.441 7.600) 9.138 2.379 ( -6.860 -1.087 -8.090) 10.662 2.379 ( 6.860 -1.087 8.090) 10.662 2.549 ( 1.448 1.516 -9.136) 9.374 2.549 ( -1.448 1.516 9.136) 9.374 2.797 ( -4.695 8.283 -2.478) 9.839 2.797 ( 4.695 8.283 2.478) 9.839 2.997 ( -8.488 1.555 -8.701) 12.255 2.997 ( 8.488 1.555 8.701) 12.255 3.217 ( 2.256 11.781 -2.018) 12.164 3.217 ( -2.256 11.781 2.018) 12.164 3.380 ( 3.663 -2.920 -2.215) 5.182 3.380 ( -3.663 -2.920 2.215) 5.182 3.906 ( 0.822 1.322 -7.082) 7.251 3.906 ( -0.822 1.322 7.082) 7.251 4.036 ( -7.444 0.382 -5.331) 9.164 4.036 ( 7.444 0.382 5.331) 9.164 4.438 ( 1.019 12.370 -6.322) 13.929 4.438 ( -1.019 12.370 6.322) 13.929 4.839 ( 1.294 1.617 -2.739) 3.434 4.839 ( -1.294 1.617 2.739) 3.434 4.919 ( 0.095 3.623 -5.763) 6.808 4.919 ( -0.095 3.623 5.763) 6.808 5.417 ( 3.338 -5.415 -3.847) 7.434 5.417 ( -3.338 -5.415 3.847) 7.434 5.835 ( -0.350 -10.845 -2.914) 11.235 5.835 ( 0.350 -10.845 2.914) 11.235 6.111 ( -3.140 2.736 -1.940) 4.594 6.111 ( 3.140 2.736 1.940) 4.594 6.559 ( -1.359 5.877 -4.120) 7.305 6.559 ( 1.359 5.877 4.120) 7.305 6.971 ( 3.836 -2.786 -4.809) 6.753 6.971 ( -3.836 -2.786 4.809) 6.753 7.274 ( -8.159 -10.058 -6.207) 14.362 7.274 ( 8.159 -10.058 6.207) 14.362 7.503 ( -5.287 7.934 -1.782) 9.700 7.503 ( 5.287 7.934 1.782) 9.700 8.015 ( -6.126 -5.321 -3.317) 8.766 8.015 ( 6.126 -5.321 3.317) 8.766 8.312 ( 3.601 2.549 -3.879) 5.874 8.312 ( -3.601 2.549 3.879) 5.874 8.628 ( 3.948 -3.135 -6.278) 8.052 8.628 ( -3.948 -3.135 6.278) 8.052 8.968 ( -5.065 7.996 -9.804) 13.628 8.968 ( 5.065 7.996 9.804) 13.628 9.463 ( -2.066 -2.009 -1.147) 3.102 9.463 ( 2.066 -2.009 1.147) 3.102 10.476 ( 5.681 4.831 -6.477) 9.877 10.476 ( -5.681 4.831 6.477) 9.877 10.858 ( 2.153 -0.221 -3.596) 4.197 10.858 ( -2.153 -0.221 3.596) 4.197 11.172 ( -4.448 -1.634 -3.335) 5.795 11.172 ( 4.448 -1.634 3.335) 5.795 11.392 ( 6.802 -10.721 -12.083) 17.528 11.392 ( -6.802 -10.721 12.083) 17.528 11.911 ( -6.191 -2.206 -2.151) 6.915 11.911 ( 6.191 -2.206 2.151) 6.915 12.497 ( -0.299 2.038 -7.247) 7.534 12.497 ( 0.299 2.038 7.247) 7.534 12.777 ( -1.664 7.736 -1.827) 8.121 12.777 ( 1.664 7.736 1.827) 8.121 13.441 ( -6.693 -7.826 -1.198) 10.367 13.441 ( 6.693 -7.826 1.198) 10.367 13.960 ( -4.011 1.359 -6.440) 7.708 13.960 ( 4.011 1.359 6.440) 7.708 14.167 ( -0.768 -4.111 -4.381) 6.057 14.167 ( 0.768 -4.111 4.381) 6.057 14.626 ( -2.479 -6.980 -8.733) 11.451 14.626 ( 2.479 -6.980 8.733) 11.451 15.146 ( -8.479 3.926 -5.804) 11.000 15.146 ( 8.479 3.926 5.804) 11.000 15.990 ( -7.217 4.524 -2.187) 8.794 15.990 ( 7.217 4.524 2.187) 8.794 16.434 ( -2.340 1.880 -2.115) 3.672 16.434 ( 2.340 1.880 2.115) 3.672 16.537 ( -0.850 3.372 -4.283) 5.517 16.537 ( 0.850 3.372 4.283) 5.517 17.217 ( 1.126 -2.596 -2.223) 3.599 17.217 ( -1.126 -2.596 2.223) 3.599 25.029 ( -3.070 2.221 -1.973) 4.272 25.029 ( 3.070 2.221 1.973) 4.272 25.182 ( -3.357 -2.765 -6.075) 7.471 25.182 ( 3.357 -2.765 6.075) 7.471 25.681 ( -1.269 -0.378 -1.288) 1.847 25.681 ( 1.269 -0.378 1.288) 1.847 25.941 ( -2.232 -7.282 -0.658) 7.645 25.941 ( 2.232 -7.282 0.658) 7.645 27.442 ( -3.280 3.149 -6.803) 8.182 27.442 ( 3.280 3.149 6.803) 8.182 27.813 ( -2.782 -4.845 -0.087) 5.588 27.813 ( 2.782 -4.845 0.087) 5.588 29.817 ( -0.367 0.442 -4.088) 4.129 29.817 ( 0.367 0.442 4.088) 4.129 30.982 ( 0.761 8.966 -4.848) 10.221 30.982 ( -0.761 8.966 4.848) 10.221 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 5.288 3.014 -4.953) 7.847 2.110 ( -5.288 3.014 4.953) 7.847 2.323 ( -2.869 1.897 -4.867) 5.959 2.323 ( 2.869 1.897 4.867) 5.959 2.609 ( -4.665 -1.748 1.184) 5.121 2.609 ( 4.665 -1.748 -1.184) 5.121 2.720 ( 0.321 -5.327 -1.594) 5.569 2.720 ( -0.321 -5.327 1.594) 5.569 3.212 ( -3.766 5.749 -1.467) 7.027 3.212 ( 3.766 5.749 1.467) 7.027 3.291 ( 0.566 2.893 -4.243) 5.166 3.291 ( -0.566 2.893 4.243) 5.166 3.384 ( -2.741 -5.528 -5.119) 8.017 3.384 ( 2.741 -5.528 5.119) 8.017 3.680 ( 0.052 -0.385 -1.002) 1.074 3.680 ( -0.052 -0.385 1.002) 1.074 4.454 ( -3.095 8.294 -7.350) 11.506 4.454 ( 3.095 8.294 7.350) 11.506 4.580 ( -2.181 -0.685 -3.254) 3.977 4.580 ( 2.181 -0.685 3.254) 3.977 4.934 ( 0.900 11.262 -9.136) 14.530 4.934 ( -0.900 11.262 9.136) 14.530 5.038 ( 2.515 3.922 -5.572) 7.263 5.038 ( -2.515 3.922 5.572) 7.263 5.295 ( 5.686 -13.080 -6.420) 15.640 5.295 ( -5.686 -13.080 6.420) 15.640 5.674 ( 0.349 -5.318 -0.782) 5.387 5.674 ( -0.349 -5.318 0.782) 5.387 6.141 ( -0.549 1.585 -0.001) 1.677 6.141 ( 0.549 1.585 0.001) 1.677 6.508 ( -0.544 3.455 -2.259) 4.164 6.508 ( 0.544 3.455 2.259) 4.164 6.683 ( -3.419 -0.833 -1.787) 3.946 6.683 ( 3.419 -0.833 1.787) 3.946 7.155 ( -3.991 0.518 -0.972) 4.140 7.155 ( 3.991 0.518 0.972) 4.140 7.935 ( -4.598 5.447 -7.704) 10.496 7.935 ( 4.598 5.447 7.704) 10.496 8.144 ( -3.771 -4.532 -1.686) 6.132 8.144 ( 3.771 -4.532 1.686) 6.132 8.412 ( -2.666 3.457 -5.091) 6.707 8.412 ( 2.666 3.457 5.091) 6.707 8.634 ( -4.549 2.296 -7.609) 9.157 8.634 ( 4.549 2.296 7.609) 9.157 8.945 ( -6.820 -6.141 -8.733) 12.668 8.945 ( 6.820 -6.141 8.733) 12.668 9.281 ( -2.363 1.789 -4.731) 5.582 9.281 ( 2.363 1.789 4.731) 5.582 10.456 ( -0.652 -2.206 -2.319) 3.266 10.456 ( 0.652 -2.206 2.319) 3.266 10.818 ( 2.118 1.813 -1.958) 3.407 10.818 ( -2.118 1.813 1.958) 3.407 11.074 ( 4.176 5.253 -7.939) 10.395 11.074 ( -4.176 5.253 7.939) 10.395 11.263 ( 3.655 -7.538 -11.260) 14.035 11.263 ( -3.655 -7.538 11.260) 14.035 12.122 ( -9.535 1.394 -6.325) 11.527 12.122 ( 9.535 1.394 6.325) 11.527 12.299 ( -10.817 -7.253 -5.882) 14.290 12.299 ( 10.817 -7.253 5.882) 14.290 12.972 ( -0.275 5.308 -5.060) 7.339 12.972 ( 0.275 5.308 5.060) 7.339 13.167 ( -1.770 -1.239 -6.620) 6.963 13.167 ( 1.770 -1.239 6.620) 6.963 14.110 ( 5.387 3.112 -5.793) 8.501 14.110 ( -5.387 3.112 5.793) 8.501 14.209 ( 2.419 -5.565 -8.485) 10.431 14.209 ( -2.419 -5.565 8.485) 10.431 14.599 ( -1.515 -0.183 -1.657) 2.253 14.599 ( 1.515 -0.183 1.657) 2.253 15.196 ( -4.812 0.798 -4.480) 6.623 15.196 ( 4.812 0.798 4.480) 6.623 16.181 ( -5.067 2.368 -1.908) 5.909 16.181 ( 5.067 2.368 1.908) 5.909 16.509 ( -0.001 0.525 -0.803) 0.959 16.509 ( 0.001 0.525 0.803) 0.959 16.617 ( 2.876 1.254 -2.270) 3.873 16.617 ( -2.876 1.254 2.270) 3.873 16.868 ( -1.878 -2.905 -1.861) 3.929 16.868 ( 1.878 -2.905 1.861) 3.929 24.802 ( -0.470 0.700 -0.757) 1.133 24.802 ( 0.470 0.700 0.757) 1.133 25.344 ( 1.185 -0.238 -1.396) 1.847 25.344 ( -1.185 -0.238 1.396) 1.847 25.673 ( 0.210 0.405 -1.266) 1.345 25.673 ( -0.210 0.405 1.266) 1.345 25.845 ( 0.579 -2.750 -2.168) 3.550 25.845 ( -0.579 -2.750 2.168) 3.550 27.394 ( -1.528 -2.444 -0.773) 2.984 27.394 ( 1.528 -2.444 0.773) 2.984 27.758 ( -0.815 -0.729 -2.525) 2.751 27.758 ( 0.815 -0.729 2.525) 2.751 29.901 ( 0.890 1.095 -1.312) 1.927 29.901 ( -0.890 1.095 1.312) 1.927 31.140 ( 0.469 3.841 -0.730) 3.938 31.140 ( -0.469 3.841 0.730) 3.938 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.871 3.646 8.278) 9.839 2.136 ( -4.478 -4.339 4.097) 7.460 2.340 ( 7.588 7.530 -2.802) 11.051 2.401 ( 1.134 2.765 2.091) 3.648 2.539 ( 0.158 5.681 -0.223) 5.688 2.682 ( -3.363 -5.365 0.704) 6.371 2.708 ( -0.842 -3.713 -2.270) 4.433 2.738 ( 7.983 -8.159 -3.696) 11.998 3.176 ( -1.316 9.647 4.350) 10.664 3.189 ( -7.444 4.951 3.090) 9.459 3.248 ( -2.927 1.444 -1.806) 3.730 3.333 ( 1.244 3.384 3.500) 5.025 3.352 ( 0.942 -5.311 4.680) 7.141 3.454 ( 2.675 -8.687 8.271) 12.289 3.705 ( 4.495 1.777 -0.630) 4.874 3.730 ( 2.783 -0.393 -1.589) 3.229 4.291 ( -8.031 12.093 -11.587) 18.574 4.439 ( -5.620 0.154 -2.727) 6.248 4.609 ( 5.314 2.336 0.760) 5.854 4.654 ( 3.281 -4.651 -2.664) 6.284 4.850 ( -4.200 12.647 -2.865) 13.631 4.941 ( -3.139 11.635 3.315) 12.499 4.996 ( -2.687 4.327 -2.852) 5.838 5.030 ( -0.634 0.265 -2.591) 2.680 5.243 ( -1.694 -8.005 6.210) 10.273 5.352 ( 4.435 -12.186 -4.727) 13.803 5.650 ( -2.695 -2.848 2.584) 4.696 5.712 ( 0.822 -6.759 1.788) 7.039 6.140 ( 0.301 2.586 -1.157) 2.849 6.175 ( 2.055 -0.795 -1.004) 2.421 6.526 ( 3.113 5.807 1.255) 6.707 6.576 ( 4.950 1.678 1.375) 5.404 6.666 ( 2.405 2.275 2.699) 4.271 6.777 ( 4.422 -6.548 5.899) 9.861 7.082 ( -2.477 6.896 -2.808) 7.847 7.228 ( 2.635 -6.237 -2.076) 7.082 7.741 ( -9.623 6.036 -4.402) 12.182 7.879 ( -10.765 -6.158 -0.481) 12.412 8.064 ( -0.275 7.706 -5.557) 9.504 8.187 ( -1.396 -2.059 -4.156) 4.844 8.416 ( 4.643 5.399 -0.035) 7.121 8.467 ( -6.808 0.303 -7.338) 10.014 8.485 ( -2.856 -1.017 -0.008) 3.031 8.617 ( -3.243 -10.411 0.448) 10.913 8.896 ( 2.798 10.677 7.361) 13.267 9.125 ( 5.767 -9.547 7.592) 13.493 9.247 ( 1.059 7.416 -2.912) 8.037 9.369 ( 3.332 -4.003 3.332) 6.183 10.457 ( 3.685 3.654 -3.040) 6.014 10.570 ( 7.686 -6.650 -3.349) 10.701 10.798 ( -0.241 4.208 0.739) 4.279 10.859 ( 3.898 -1.587 -3.468) 5.453 11.020 ( -5.486 7.005 8.241) 12.127 11.103 ( 2.376 2.499 -4.537) 5.699 11.255 ( -1.311 -5.000 9.829) 11.105 11.327 ( 4.108 -9.124 -3.314) 10.541 11.879 ( -10.767 3.171 -2.408) 11.480 12.005 ( -10.712 -8.374 -1.645) 13.695 12.382 ( 7.800 4.873 6.051) 11.009 12.534 ( 7.739 -8.662 5.244) 12.745 12.932 ( 0.505 5.757 -4.983) 7.631 12.973 ( -1.561 2.881 -0.499) 3.315 13.125 ( -0.646 3.105 -1.406) 3.469 13.251 ( 2.457 -5.995 8.199) 10.449 14.016 ( -5.726 4.733 3.235) 8.103 14.119 ( -3.431 -3.309 -3.535) 5.935 14.181 ( 1.899 -0.273 -5.135) 5.482 14.233 ( 0.512 -5.437 -2.569) 6.035 14.532 ( -4.137 2.270 -1.730) 5.026 14.596 ( -1.612 -3.946 -0.674) 4.315 15.115 ( -1.488 8.027 1.494) 8.299 15.292 ( 0.801 -8.198 3.729) 9.042 16.062 ( -2.949 10.320 -6.013) 12.303 16.213 ( -1.064 -3.645 -4.538) 5.917 16.474 ( -3.747 2.306 2.160) 4.901 16.529 ( 0.896 -0.223 2.329) 2.505 16.554 ( -2.969 2.367 1.207) 3.984 16.622 ( 0.002 -1.854 -2.033) 2.752 16.946 ( 8.512 0.279 0.174) 8.518 16.994 ( 7.854 -3.698 2.197) 8.955 24.831 ( 3.755 1.697 0.271) 4.129 24.858 ( 4.604 -0.627 1.728) 4.958 25.302 ( -3.476 0.870 -0.932) 3.703 25.330 ( -1.377 -1.399 -3.689) 4.179 25.664 ( -0.427 1.061 0.618) 1.300 25.682 ( 0.137 -0.605 0.668) 0.911 25.831 ( -0.703 -1.627 0.105) 1.775 25.854 ( 0.220 -3.833 -0.504) 3.872 27.383 ( 0.797 1.763 1.501) 2.449 27.464 ( 4.444 -5.857 0.759) 7.391 27.719 ( -2.019 1.974 -2.145) 3.546 27.774 ( -0.598 -3.161 2.258) 3.931 29.876 ( -2.288 1.807 1.367) 3.220 29.892 ( -0.975 0.231 -1.352) 1.682 31.125 ( -0.940 4.484 0.207) 4.586 31.142 ( -0.079 2.962 -0.872) 3.089 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.814 2.274 2.632) 3.572 2.096 ( -1.694 -2.106 6.030) 6.608 2.337 ( -3.990 5.652 1.448) 7.068 2.429 ( -0.934 -2.256 -1.914) 3.102 2.590 ( -4.022 0.988 1.161) 4.302 2.652 ( -3.425 -3.198 -1.317) 4.868 2.709 ( 13.548 8.585 2.458) 16.226 2.873 ( 5.677 -4.701 0.352) 7.379 3.048 ( -6.162 5.940 2.372) 8.881 3.156 ( -1.128 -4.021 0.953) 4.283 3.268 ( 0.880 6.343 1.722) 6.631 3.369 ( -2.139 -3.343 2.693) 4.796 3.380 ( 3.113 7.837 2.541) 8.807 3.532 ( -1.023 -3.478 4.057) 5.441 3.768 ( 4.171 3.436 0.761) 5.457 3.825 ( 6.048 -0.727 4.500) 7.573 4.105 ( -3.921 8.067 -9.224) 12.866 4.249 ( -10.888 -3.411 -6.628) 13.195 4.637 ( -3.149 -0.181 -2.765) 4.195 4.685 ( -1.663 -2.829 -1.596) 3.649 4.765 ( 0.212 10.926 -3.221) 11.393 4.914 ( -2.209 8.078 -2.923) 8.870 4.934 ( 2.796 -0.994 -4.135) 5.089 5.021 ( -1.413 0.959 5.524) 5.782 5.302 ( 4.319 0.454 3.859) 5.810 5.429 ( 4.917 -6.606 -0.367) 8.243 5.584 ( -4.608 -2.394 0.271) 5.200 5.693 ( -3.858 -8.295 1.219) 9.229 6.131 ( -0.261 2.303 -0.572) 2.388 6.176 ( -1.323 -1.741 -0.767) 2.317 6.609 ( 4.031 6.745 3.446) 8.581 6.680 ( 3.550 2.042 2.391) 4.742 6.781 ( 7.249 1.065 0.984) 7.393 6.915 ( 6.096 -9.110 5.665) 12.339 7.022 ( -1.982 6.049 -2.820) 6.962 7.195 ( -3.675 -9.878 -5.332) 11.811 7.610 ( -1.929 6.390 -0.778) 6.721 7.716 ( -4.806 -2.545 -1.781) 5.723 7.979 ( -3.928 4.166 -7.687) 9.585 8.073 ( -9.111 -4.246 -5.360) 11.392 8.348 ( -0.216 2.505 -2.749) 3.726 8.393 ( -3.116 -1.457 1.164) 3.631 8.507 ( 3.861 1.697 -1.486) 4.472 8.608 ( -2.290 -5.958 3.980) 7.522 9.019 ( 5.105 11.557 8.009) 14.959 9.205 ( 0.724 0.193 -3.153) 3.241 9.291 ( 3.331 -0.516 4.736) 5.813 9.410 ( -0.308 -5.987 1.034) 6.083 10.521 ( 4.947 6.016 -4.793) 9.145 10.626 ( -0.300 -1.957 -1.495) 2.481 10.831 ( 3.907 3.709 -2.599) 5.982 10.924 ( 3.015 -0.699 -2.520) 3.991 10.972 ( -1.915 -0.192 4.912) 5.276 11.109 ( -2.067 -3.614 3.066) 5.170 11.269 ( -2.066 -2.381 5.364) 6.222 11.345 ( 0.637 -5.398 -8.460) 10.056 11.782 ( 0.688 3.501 5.208) 6.313 11.896 ( -1.984 -6.383 3.745) 7.662 12.492 ( 1.016 3.915 3.811) 5.557 12.581 ( -2.206 -2.888 -2.252) 4.276 12.933 ( -0.266 4.174 -1.690) 4.511 12.981 ( 2.799 5.768 1.603) 6.609 13.118 ( 1.296 -0.751 0.140) 1.505 13.302 ( -2.122 -11.225 5.093) 12.508 13.968 ( -0.573 4.713 3.325) 5.796 14.051 ( -1.016 -2.720 -1.075) 3.097 14.147 ( -1.891 1.046 -7.531) 7.835 14.188 ( -3.285 -2.972 -4.510) 6.322 14.476 ( -0.607 0.692 0.599) 1.098 14.555 ( -2.256 -6.220 -1.610) 6.810 15.136 ( 1.727 6.718 3.613) 7.821 15.271 ( -3.309 -5.710 1.194) 6.707 16.027 ( 1.513 7.815 -4.625) 9.206 16.135 ( -3.794 -2.326 -4.090) 6.044 16.446 ( -0.239 3.609 3.557) 5.072 16.511 ( -1.607 -1.048 2.130) 2.866 16.567 ( 1.228 2.484 -0.676) 2.852 16.603 ( -0.949 -0.751 -2.279) 2.581 17.097 ( 6.482 -0.252 0.444) 6.502 17.127 ( 4.677 -2.773 1.536) 5.650 24.935 ( 6.638 2.126 1.279) 7.086 24.980 ( 6.762 -1.765 3.173) 7.675 25.208 ( -5.686 1.615 -2.141) 6.286 25.254 ( -4.307 -2.184 -4.859) 6.850 25.666 ( 0.176 0.826 0.817) 1.176 25.684 ( -0.333 -0.869 0.558) 1.085 25.824 ( -0.068 -1.610 0.379) 1.656 25.847 ( -0.438 -3.861 -0.908) 3.990 27.434 ( 3.153 4.302 2.834) 6.040 27.541 ( 2.671 -4.982 -1.262) 5.792 27.674 ( -0.989 2.206 -0.454) 2.459 27.757 ( -2.275 -4.763 1.270) 5.429 29.843 ( -1.752 1.639 1.452) 2.804 29.859 ( -1.431 0.039 -1.455) 2.041 31.113 ( -0.425 4.238 0.291) 4.269 31.130 ( -0.622 2.731 -0.971) 2.964 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 1.512 1.701 -3.465) 4.146 2.090 ( -1.512 1.701 3.465) 4.146 2.339 ( -2.560 -1.540 -5.431) 6.199 2.339 ( 2.560 -1.540 5.431) 6.199 2.584 ( -0.747 1.274 -3.949) 4.216 2.584 ( 0.747 1.274 3.949) 4.216 2.906 ( -2.629 1.733 -0.795) 3.248 2.906 ( 2.629 1.733 0.795) 3.248 3.085 ( -8.850 5.754 -4.124) 11.333 3.085 ( 8.850 5.754 4.124) 11.333 3.292 ( -4.856 -4.592 0.170) 6.685 3.292 ( 4.856 -4.592 -0.170) 6.686 3.475 ( -3.397 9.307 -0.993) 9.957 3.475 ( 3.397 9.307 0.993) 9.957 3.884 ( -2.995 -2.000 -1.979) 4.109 3.884 ( 2.995 -2.000 1.979) 4.109 4.071 ( -1.451 2.359 -0.973) 2.935 4.071 ( 1.451 2.359 0.973) 2.935 4.592 ( 0.060 -2.114 -5.501) 5.893 4.592 ( -0.060 -2.114 5.501) 5.893 4.834 ( -3.569 5.565 -2.553) 7.087 4.834 ( 3.569 5.565 2.553) 7.087 5.001 ( 3.914 0.504 -4.155) 5.730 5.001 ( -3.914 0.504 4.155) 5.730 5.418 ( -5.989 4.663 -0.412) 7.601 5.418 ( 5.989 4.663 0.412) 7.601 5.596 ( -3.230 -10.439 -0.785) 10.956 5.596 ( 3.230 -10.439 0.785) 10.956 6.141 ( -1.421 0.236 -0.508) 1.527 6.141 ( 1.421 0.236 0.508) 1.527 6.690 ( -1.389 5.514 -2.548) 6.231 6.690 ( 1.389 5.514 2.548) 6.231 6.909 ( -5.769 -2.287 0.029) 6.206 6.909 ( 5.769 -2.287 -0.030) 6.206 7.084 ( -5.176 -6.462 -4.200) 9.284 7.084 ( 5.176 -6.462 4.200) 9.284 7.648 ( -3.668 4.395 -0.597) 5.756 7.648 ( 3.668 4.395 0.597) 5.756 7.917 ( -1.892 -3.222 -1.130) 3.904 7.917 ( 1.892 -3.222 1.130) 3.904 8.366 ( 2.309 1.879 -3.347) 4.480 8.366 ( -2.309 1.879 3.347) 4.480 8.564 ( 3.747 -2.100 -3.871) 5.782 8.564 ( -3.747 -2.100 3.871) 5.782 9.145 ( -3.751 7.917 -6.221) 10.745 9.145 ( 3.751 7.917 6.221) 10.745 9.374 ( -2.889 -5.702 -2.292) 6.791 9.374 ( 2.889 -5.702 2.292) 6.791 10.583 ( 3.199 4.084 -3.171) 6.080 10.583 ( -3.199 4.084 3.171) 6.080 10.890 ( 3.843 3.949 -5.958) 8.115 10.890 ( -3.843 3.949 5.958) 8.115 11.043 ( 6.454 -9.518 -7.358) 13.653 11.043 ( -6.454 -9.518 7.358) 13.653 11.288 ( -1.169 -0.194 -3.788) 3.969 11.288 ( 1.169 -0.194 3.788) 3.969 11.874 ( -3.375 -1.078 -1.574) 3.877 11.874 ( 3.375 -1.078 1.574) 3.877 12.514 ( -1.557 -0.011 -3.496) 3.827 12.514 ( 1.557 -0.011 3.496) 3.827 12.963 ( -2.722 9.962 0.029) 10.327 12.963 ( 2.722 9.962 -0.029) 10.327 13.218 ( -7.142 -11.609 -0.071) 13.630 13.218 ( 7.142 -11.609 0.071) 13.630 14.032 ( -2.599 3.591 -6.270) 7.678 14.032 ( 2.599 3.591 6.270) 7.678 14.100 ( -0.380 -2.255 -5.416) 5.878 14.100 ( 0.380 -2.255 5.416) 5.878 14.502 ( -0.876 -3.828 -3.661) 5.369 14.502 ( 0.876 -3.828 3.661) 5.369 15.204 ( -3.319 1.420 -2.240) 4.248 15.204 ( 3.319 1.420 2.240) 4.248 16.057 ( -2.947 1.607 -0.188) 3.362 16.057 ( 2.947 1.607 0.188) 3.362 16.486 ( -1.657 2.277 -2.250) 3.605 16.486 ( 1.657 2.277 2.250) 3.605 16.578 ( 0.526 0.548 -1.393) 1.587 16.578 ( -0.526 0.548 1.393) 1.587 17.168 ( 0.390 -1.538 -1.007) 1.880 17.168 ( -0.390 -1.538 1.007) 1.880 25.075 ( -5.488 2.150 -3.539) 6.875 25.075 ( 5.488 2.150 3.539) 6.875 25.126 ( -5.841 -2.436 -5.149) 8.158 25.126 ( 5.841 -2.436 5.149) 8.158 25.676 ( -0.205 -0.078 -0.535) 0.578 25.676 ( 0.205 -0.078 0.535) 0.578 25.832 ( -0.332 -2.782 -1.083) 3.004 25.832 ( 0.332 -2.782 1.083) 3.004 27.514 ( -2.078 3.131 -4.512) 5.872 27.514 ( 2.078 3.131 4.512) 5.872 27.706 ( -1.378 -4.255 -1.880) 4.851 27.706 ( 1.378 -4.255 1.880) 4.851 29.835 ( -0.074 0.734 -1.550) 1.717 29.835 ( 0.074 0.734 1.550) 1.717 31.115 ( 0.234 3.364 -1.742) 3.796 31.115 ( -0.234 3.364 1.742) 3.796 =================== 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 3/32256 10.0 634.262 572.931 782.931 0.000 -154.774 0.000 3/32256 20.0 86.860 103.216 116.600 0.000 -29.820 0.000 3/32256 30.0 34.359 43.180 47.806 0.000 -11.604 0.000 3/32256 40.0 19.604 25.069 27.354 0.000 -6.210 0.000 3/32256 50.0 13.169 17.068 18.408 0.000 -3.953 0.000 3/32256 60.0 9.723 12.749 13.621 0.000 -2.799 0.000 3/32256 70.0 7.638 10.108 10.718 0.000 -2.126 0.000 3/32256 80.0 6.267 8.351 8.801 0.000 -1.694 0.000 3/32256 90.0 5.309 7.108 7.456 0.000 -1.397 0.000 3/32256 100.0 4.607 6.187 6.468 0.000 -1.183 0.000 3/32256 110.0 4.074 5.480 5.714 0.000 -1.023 0.000 3/32256 120.0 3.656 4.922 5.122 0.000 -0.898 0.000 3/32256 130.0 3.320 4.470 4.646 0.000 -0.798 0.000 3/32256 140.0 3.044 4.098 4.254 0.000 -0.718 0.000 3/32256 150.0 2.814 3.786 3.927 0.000 -0.651 0.000 3/32256 160.0 2.618 3.521 3.650 0.000 -0.595 0.000 3/32256 170.0 2.451 3.293 3.411 0.000 -0.547 0.000 3/32256 180.0 2.305 3.094 3.204 0.000 -0.506 0.000 3/32256 190.0 2.177 2.920 3.023 0.000 -0.470 0.000 3/32256 200.0 2.064 2.766 2.862 0.000 -0.439 0.000 3/32256 210.0 1.962 2.629 2.719 0.000 -0.411 0.000 3/32256 220.0 1.872 2.506 2.591 0.000 -0.387 0.000 3/32256 230.0 1.790 2.395 2.475 0.000 -0.365 0.000 3/32256 240.0 1.715 2.294 2.370 0.000 -0.345 0.000 3/32256 250.0 1.647 2.202 2.274 0.000 -0.328 0.000 3/32256 260.0 1.584 2.118 2.187 0.000 -0.312 0.000 3/32256 270.0 1.527 2.041 2.106 0.000 -0.297 0.000 3/32256 280.0 1.474 1.970 2.031 0.000 -0.284 0.000 3/32256 290.0 1.424 1.904 1.962 0.000 -0.271 0.000 3/32256 300.0 1.378 1.842 1.898 0.000 -0.260 0.000 3/32256 310.0 1.335 1.785 1.838 0.000 -0.250 0.000 3/32256 320.0 1.295 1.732 1.782 0.000 -0.240 0.000 3/32256 330.0 1.257 1.682 1.730 0.000 -0.231 0.000 3/32256 340.0 1.222 1.635 1.681 0.000 -0.223 0.000 3/32256 350.0 1.189 1.591 1.634 0.000 -0.216 0.000 3/32256 360.0 1.157 1.549 1.590 0.000 -0.208 0.000 3/32256 370.0 1.127 1.510 1.549 0.000 -0.202 0.000 3/32256 380.0 1.099 1.473 1.510 0.000 -0.195 0.000 3/32256 390.0 1.072 1.437 1.473 0.000 -0.189 0.000 3/32256 400.0 1.046 1.404 1.438 0.000 -0.184 0.000 3/32256 410.0 1.022 1.372 1.404 0.000 -0.179 0.000 3/32256 420.0 0.999 1.341 1.372 0.000 -0.174 0.000 3/32256 430.0 0.977 1.312 1.342 0.000 -0.169 0.000 3/32256 440.0 0.956 1.284 1.312 0.000 -0.165 0.000 3/32256 450.0 0.935 1.258 1.285 0.000 -0.160 0.000 3/32256 460.0 0.916 1.232 1.258 0.000 -0.156 0.000 3/32256 470.0 0.898 1.208 1.232 0.000 -0.153 0.000 3/32256 480.0 0.880 1.185 1.208 0.000 -0.149 0.000 3/32256 490.0 0.863 1.162 1.184 0.000 -0.145 0.000 3/32256 500.0 0.846 1.140 1.162 0.000 -0.142 0.000 3/32256 510.0 0.830 1.120 1.140 0.000 -0.139 0.000 3/32256 520.0 0.815 1.100 1.119 0.000 -0.136 0.000 3/32256 530.0 0.800 1.080 1.099 0.000 -0.133 0.000 3/32256 540.0 0.786 1.062 1.079 0.000 -0.130 0.000 3/32256 550.0 0.772 1.044 1.060 0.000 -0.128 0.000 3/32256 560.0 0.759 1.026 1.042 0.000 -0.125 0.000 3/32256 570.0 0.746 1.009 1.025 0.000 -0.123 0.000 3/32256 580.0 0.734 0.993 1.008 0.000 -0.120 0.000 3/32256 590.0 0.722 0.977 0.991 0.000 -0.118 0.000 3/32256 600.0 0.711 0.962 0.976 0.000 -0.116 0.000 3/32256 610.0 0.699 0.947 0.960 0.000 -0.114 0.000 3/32256 620.0 0.689 0.933 0.945 0.000 -0.112 0.000 3/32256 630.0 0.678 0.919 0.931 0.000 -0.110 0.000 3/32256 640.0 0.668 0.906 0.917 0.000 -0.108 0.000 3/32256 650.0 0.658 0.892 0.903 0.000 -0.106 0.000 3/32256 660.0 0.648 0.880 0.890 0.000 -0.105 0.000 3/32256 670.0 0.639 0.867 0.877 0.000 -0.103 0.000 3/32256 680.0 0.630 0.855 0.865 0.000 -0.101 0.000 3/32256 690.0 0.621 0.844 0.853 0.000 -0.100 0.000 3/32256 700.0 0.613 0.832 0.841 0.000 -0.098 0.000 3/32256 710.0 0.604 0.821 0.830 0.000 -0.097 0.000 3/32256 720.0 0.596 0.810 0.819 0.000 -0.095 0.000 3/32256 730.0 0.588 0.800 0.808 0.000 -0.094 0.000 3/32256 740.0 0.580 0.790 0.797 0.000 -0.092 0.000 3/32256 750.0 0.573 0.780 0.787 0.000 -0.091 0.000 3/32256 760.0 0.566 0.770 0.777 0.000 -0.090 0.000 3/32256 770.0 0.559 0.760 0.767 0.000 -0.089 0.000 3/32256 780.0 0.552 0.751 0.758 0.000 -0.087 0.000 3/32256 790.0 0.545 0.742 0.748 0.000 -0.086 0.000 3/32256 800.0 0.538 0.733 0.739 0.000 -0.085 0.000 3/32256 810.0 0.532 0.725 0.730 0.000 -0.084 0.000 3/32256 820.0 0.525 0.716 0.722 0.000 -0.083 0.000 3/32256 830.0 0.519 0.708 0.713 0.000 -0.082 0.000 3/32256 840.0 0.513 0.700 0.705 0.000 -0.081 0.000 3/32256 850.0 0.507 0.692 0.697 0.000 -0.080 0.000 3/32256 860.0 0.502 0.684 0.689 0.000 -0.079 0.000 3/32256 870.0 0.496 0.677 0.681 0.000 -0.078 0.000 3/32256 880.0 0.491 0.670 0.674 0.000 -0.077 0.000 3/32256 890.0 0.485 0.662 0.667 0.000 -0.076 0.000 3/32256 900.0 0.480 0.655 0.659 0.000 -0.075 0.000 3/32256 910.0 0.475 0.648 0.652 0.000 -0.074 0.000 3/32256 920.0 0.470 0.642 0.645 0.000 -0.073 0.000 3/32256 930.0 0.465 0.635 0.639 0.000 -0.073 0.000 3/32256 940.0 0.460 0.628 0.632 0.000 -0.072 0.000 3/32256 950.0 0.455 0.622 0.626 0.000 -0.071 0.000 3/32256 960.0 0.451 0.616 0.619 0.000 -0.070 0.000 3/32256 970.0 0.446 0.610 0.613 0.000 -0.070 0.000 3/32256 980.0 0.442 0.604 0.607 0.000 -0.069 0.000 3/32256 990.0 0.437 0.598 0.601 0.000 -0.068 0.000 3/32256 1000.0 0.433 0.592 0.595 0.000 -0.067 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:40:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|