----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:10:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.912532490099201 0.000000000000000 0.000000000000000 b 0.000000000000000 4.747766049999999 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): *1 Mg 0.23893968937058 0.48888754518989 0.77738088168094 24.305 2 Mg 0.76106031062942 0.98888754518989 0.72261911831906 24.305 3 Mg 0.23893968937058 0.01111245481011 0.27738088168094 24.305 *4 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 5 Mg 0.76106031062942 0.51111245481011 0.22261911831906 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *7 P 0.74367351859381 0.07396320504366 0.40264472180340 30.974 8 P 0.25632648140619 0.57396320504365 0.09735527819660 30.974 9 P 0.25632648140619 0.92603679495635 0.59735527819661 30.974 10 P 0.74367351859381 0.42603679495634 0.90264472180339 30.974 *11 O 0.27554014619780 0.25210605907521 0.10457832044683 15.999 *12 O 0.74332795713728 0.31349015557690 0.04431860558975 15.999 13 O 0.72445985380220 0.74789394092479 0.89542167955317 15.999 *14 O 0.46794729348091 0.76961301241464 0.66201841630236 15.999 *15 O 0.94156177544725 0.18946916531770 0.32214378304076 15.999 16 O 0.94156177544725 0.31053083468230 0.82214378304076 15.999 17 O 0.05843822455275 0.68946916531770 0.17785621695924 15.999 18 O 0.25667204286272 0.68650984442310 0.95568139441025 15.999 19 O 0.25667204286272 0.81349015557690 0.45568139441025 15.999 20 O 0.05843822455275 0.81053083468230 0.67785621695924 15.999 21 O 0.46794729348091 0.73038698758536 0.16201841630236 15.999 22 O 0.72445985380220 0.75210605907521 0.39542167955317 15.999 23 O 0.53205270651909 0.26961301241465 0.83798158369764 15.999 24 O 0.53205270651909 0.23038698758536 0.33798158369764 15.999 25 O 0.27554014619780 0.24789394092479 0.60457832044683 15.999 26 O 0.74332795713728 0.18650984442310 0.54431860558975 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.912532490099201 0.000000000000000 0.000000000000000 b 0.000000000000000 4.747766049999999 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): *1 Mg 0.23893968937058 0.48888754518989 0.77738088168094 24.305 > 1 2 Mg 0.76106031062942 0.98888754518989 0.72261911831906 24.305 > 2 3 Mg 0.23893968937058 0.01111245481011 0.27738088168094 24.305 > 3 *4 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 4 5 Mg 0.76106031062942 0.51111245481011 0.22261911831906 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 6 *7 P 0.74367351859381 0.07396320504366 0.40264472180340 30.974 > 7 8 P 0.25632648140619 0.57396320504365 0.09735527819660 30.974 > 8 9 P 0.25632648140619 0.92603679495635 0.59735527819661 30.974 > 9 10 P 0.74367351859381 0.42603679495634 0.90264472180339 30.974 > 10 *11 O 0.27554014619780 0.25210605907521 0.10457832044683 15.999 > 11 *12 O 0.74332795713728 0.31349015557690 0.04431860558975 15.999 > 12 13 O 0.72445985380220 0.74789394092479 0.89542167955317 15.999 > 13 *14 O 0.46794729348091 0.76961301241464 0.66201841630236 15.999 > 14 *15 O 0.94156177544725 0.18946916531770 0.32214378304076 15.999 > 15 16 O 0.94156177544725 0.31053083468230 0.82214378304076 15.999 > 16 17 O 0.05843822455275 0.68946916531770 0.17785621695924 15.999 > 17 18 O 0.25667204286272 0.68650984442310 0.95568139441025 15.999 > 18 19 O 0.25667204286272 0.81349015557690 0.45568139441025 15.999 > 19 20 O 0.05843822455275 0.81053083468230 0.67785621695924 15.999 > 20 21 O 0.46794729348091 0.73038698758536 0.16201841630236 15.999 > 21 22 O 0.72445985380220 0.75210605907521 0.39542167955317 15.999 > 22 23 O 0.53205270651909 0.26961301241465 0.83798158369764 15.999 > 23 24 O 0.53205270651909 0.23038698758536 0.33798158369764 15.999 > 24 25 O 0.27554014619780 0.24789394092479 0.60457832044683 15.999 > 25 26 O 0.74332795713728 0.18650984442310 0.54431860558975 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.825064980198402 0.000000000000000 0.000000000000000 b 0.000000000000000 9.495532099999998 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): *1 Mg 0.11946984468529 0.24444377259494 0.77738088168094 24.305 > 1 2 Mg 0.61946984468529 0.24444377259494 0.77738088168094 24.305 > 1 3 Mg 0.11946984468529 0.74444377259494 0.77738088168094 24.305 > 1 4 Mg 0.61946984468529 0.74444377259494 0.77738088168094 24.305 > 1 5 Mg 0.38053015531471 0.49444377259494 0.72261911831906 24.305 > 2 6 Mg 0.88053015531471 0.49444377259494 0.72261911831906 24.305 > 2 7 Mg 0.38053015531471 0.99444377259494 0.72261911831906 24.305 > 2 8 Mg 0.88053015531471 0.99444377259494 0.72261911831906 24.305 > 2 9 Mg 0.11946984468529 0.00555622740506 0.27738088168094 24.305 > 3 10 Mg 0.61946984468529 0.00555622740506 0.27738088168094 24.305 > 3 11 Mg 0.11946984468529 0.50555622740506 0.27738088168094 24.305 > 3 12 Mg 0.61946984468529 0.50555622740506 0.27738088168094 24.305 > 3 *13 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 4 14 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 4 15 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 4 16 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 4 17 Mg 0.38053015531471 0.25555622740506 0.22261911831906 24.305 > 5 18 Mg 0.88053015531471 0.25555622740506 0.22261911831906 24.305 > 5 19 Mg 0.38053015531471 0.75555622740506 0.22261911831906 24.305 > 5 20 Mg 0.88053015531471 0.75555622740506 0.22261911831906 24.305 > 5 21 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 6 22 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 6 23 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 6 24 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 6 *25 P 0.37183675929690 0.03698160252183 0.40264472180340 30.974 > 7 26 P 0.87183675929690 0.03698160252183 0.40264472180340 30.974 > 7 27 P 0.37183675929690 0.53698160252183 0.40264472180340 30.974 > 7 28 P 0.87183675929690 0.53698160252183 0.40264472180340 30.974 > 7 29 P 0.12816324070310 0.28698160252183 0.09735527819660 30.974 > 8 30 P 0.62816324070310 0.28698160252183 0.09735527819660 30.974 > 8 31 P 0.12816324070310 0.78698160252183 0.09735527819660 30.974 > 8 32 P 0.62816324070310 0.78698160252183 0.09735527819660 30.974 > 8 33 P 0.12816324070310 0.46301839747817 0.59735527819661 30.974 > 9 34 P 0.62816324070310 0.46301839747817 0.59735527819661 30.974 > 9 35 P 0.12816324070310 0.96301839747817 0.59735527819661 30.974 > 9 36 P 0.62816324070310 0.96301839747817 0.59735527819661 30.974 > 9 37 P 0.37183675929690 0.21301839747817 0.90264472180339 30.974 > 10 38 P 0.87183675929690 0.21301839747817 0.90264472180339 30.974 > 10 39 P 0.37183675929690 0.71301839747817 0.90264472180339 30.974 > 10 40 P 0.87183675929690 0.71301839747817 0.90264472180339 30.974 > 10 *41 O 0.13777007309890 0.12605302953761 0.10457832044683 15.999 > 11 42 O 0.63777007309890 0.12605302953761 0.10457832044683 15.999 > 11 43 O 0.13777007309890 0.62605302953761 0.10457832044683 15.999 > 11 44 O 0.63777007309890 0.62605302953761 0.10457832044683 15.999 > 11 *45 O 0.37166397856864 0.15674507778845 0.04431860558975 15.999 > 12 46 O 0.87166397856864 0.15674507778845 0.04431860558975 15.999 > 12 47 O 0.37166397856864 0.65674507778845 0.04431860558975 15.999 > 12 48 O 0.87166397856864 0.65674507778845 0.04431860558975 15.999 > 12 49 O 0.36222992690110 0.37394697046239 0.89542167955317 15.999 > 13 50 O 0.86222992690110 0.37394697046239 0.89542167955317 15.999 > 13 51 O 0.36222992690110 0.87394697046239 0.89542167955317 15.999 > 13 52 O 0.86222992690110 0.87394697046239 0.89542167955317 15.999 > 13 *53 O 0.23397364674046 0.38480650620732 0.66201841630236 15.999 > 14 54 O 0.73397364674046 0.38480650620732 0.66201841630236 15.999 > 14 55 O 0.23397364674046 0.88480650620732 0.66201841630236 15.999 > 14 56 O 0.73397364674046 0.88480650620732 0.66201841630236 15.999 > 14 *57 O 0.47078088772363 0.09473458265885 0.32214378304076 15.999 > 15 58 O 0.97078088772363 0.09473458265885 0.32214378304076 15.999 > 15 59 O 0.47078088772363 0.59473458265885 0.32214378304076 15.999 > 15 60 O 0.97078088772363 0.59473458265885 0.32214378304076 15.999 > 15 61 O 0.47078088772363 0.15526541734115 0.82214378304076 15.999 > 16 62 O 0.97078088772363 0.15526541734115 0.82214378304076 15.999 > 16 63 O 0.47078088772363 0.65526541734115 0.82214378304076 15.999 > 16 64 O 0.97078088772363 0.65526541734115 0.82214378304076 15.999 > 16 65 O 0.02921911227637 0.34473458265885 0.17785621695924 15.999 > 17 66 O 0.52921911227637 0.34473458265885 0.17785621695924 15.999 > 17 67 O 0.02921911227637 0.84473458265885 0.17785621695924 15.999 > 17 68 O 0.52921911227637 0.84473458265885 0.17785621695924 15.999 > 17 69 O 0.12833602143136 0.34325492221155 0.95568139441025 15.999 > 18 70 O 0.62833602143136 0.34325492221155 0.95568139441025 15.999 > 18 71 O 0.12833602143136 0.84325492221155 0.95568139441025 15.999 > 18 72 O 0.62833602143136 0.84325492221155 0.95568139441025 15.999 > 18 73 O 0.12833602143136 0.40674507778845 0.45568139441025 15.999 > 19 74 O 0.62833602143136 0.40674507778845 0.45568139441025 15.999 > 19 75 O 0.12833602143136 0.90674507778845 0.45568139441025 15.999 > 19 76 O 0.62833602143136 0.90674507778845 0.45568139441025 15.999 > 19 77 O 0.02921911227637 0.40526541734115 0.67785621695924 15.999 > 20 78 O 0.52921911227637 0.40526541734115 0.67785621695924 15.999 > 20 79 O 0.02921911227637 0.90526541734115 0.67785621695924 15.999 > 20 80 O 0.52921911227637 0.90526541734115 0.67785621695924 15.999 > 20 81 O 0.23397364674046 0.36519349379268 0.16201841630236 15.999 > 21 82 O 0.73397364674046 0.36519349379268 0.16201841630236 15.999 > 21 83 O 0.23397364674046 0.86519349379268 0.16201841630236 15.999 > 21 84 O 0.73397364674046 0.86519349379268 0.16201841630236 15.999 > 21 85 O 0.36222992690110 0.37605302953761 0.39542167955317 15.999 > 22 86 O 0.86222992690110 0.37605302953761 0.39542167955317 15.999 > 22 87 O 0.36222992690110 0.87605302953761 0.39542167955317 15.999 > 22 88 O 0.86222992690110 0.87605302953761 0.39542167955317 15.999 > 22 89 O 0.26602635325954 0.13480650620732 0.83798158369764 15.999 > 23 90 O 0.76602635325954 0.13480650620732 0.83798158369764 15.999 > 23 91 O 0.26602635325954 0.63480650620732 0.83798158369764 15.999 > 23 92 O 0.76602635325954 0.63480650620732 0.83798158369764 15.999 > 23 93 O 0.26602635325954 0.11519349379268 0.33798158369764 15.999 > 24 94 O 0.76602635325954 0.11519349379268 0.33798158369764 15.999 > 24 95 O 0.26602635325954 0.61519349379268 0.33798158369764 15.999 > 24 96 O 0.76602635325954 0.61519349379268 0.33798158369764 15.999 > 24 97 O 0.13777007309890 0.12394697046239 0.60457832044683 15.999 > 25 98 O 0.63777007309890 0.12394697046239 0.60457832044683 15.999 > 25 99 O 0.13777007309890 0.62394697046239 0.60457832044683 15.999 > 25 100 O 0.63777007309890 0.62394697046239 0.60457832044683 15.999 > 25 101 O 0.37166397856864 0.09325492221155 0.54431860558975 15.999 > 26 102 O 0.87166397856864 0.09325492221155 0.54431860558975 15.999 > 26 103 O 0.37166397856864 0.59325492221155 0.54431860558975 15.999 > 26 104 O 0.87166397856864 0.59325492221155 0.54431860558975 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6463525 0.0000000 -0.0650322 0.0000000 2.7125479 0.0000000 -0.0650319 0.0000000 2.6627799 -------------------------- Born effective charges -------------------------- 1 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 2 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 3 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 4 Mg 1.8091900 0.1683985 -0.3031496 -0.0309396 2.4836927 0.0815975 -0.3704725 -0.0975878 1.7763087 5 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 6 Mg 1.8091900 -0.1683985 -0.3031496 0.0309396 2.4836927 -0.0815975 -0.3704725 0.0975878 1.7763087 7 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 8 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 9 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 10 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 11 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 12 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 13 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 14 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 15 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 16 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 17 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 18 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 19 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 20 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 21 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 22 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 23 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 24 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 25 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 26 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 167 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 167 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 8), data: (678, 21) @ (21, 8) |-- (178, 170), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 11), data: (678, 25) @ (25, 11) |-- (178, 167), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 11), data: (678, 25) @ (25, 11) |-- (178, 167), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.952 Solver_block: 200 / 800 - Time: 0.833 Solver_block: 300 / 800 - Time: 0.820 Solver_block: 400 / 800 - Time: 0.799 Solver_block: 500 / 800 - Time: 0.778 Solver_block: 600 / 800 - Time: 0.790 Solver_block: 700 / 800 - Time: 0.794 Solver_block: 800 / 800 - Time: 0.753 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.693 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 167 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 167 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 170 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 8), data: (678, 21) @ (21, 8) |-- (178, 170), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 11), data: (678, 25) @ (25, 11) |-- (178, 167), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 11), data: (678, 25) @ (25, 11) |-- (178, 167), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), 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 16:11:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:11:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.912532490099201 0.000000000000000 0.000000000000000 b 0.000000000000000 4.747766049999999 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): 1 Mg 0.23893968937058 0.48888754518989 0.77738088168094 24.305 2 Mg 0.76106031062942 0.98888754518989 0.72261911831906 24.305 3 Mg 0.23893968937058 0.01111245481011 0.27738088168094 24.305 4 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 5 Mg 0.76106031062942 0.51111245481011 0.22261911831906 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 7 P 0.74367351859381 0.07396320504366 0.40264472180340 30.974 8 P 0.25632648140619 0.57396320504365 0.09735527819660 30.974 9 P 0.25632648140619 0.92603679495635 0.59735527819661 30.974 10 P 0.74367351859381 0.42603679495634 0.90264472180339 30.974 11 O 0.27554014619780 0.25210605907521 0.10457832044683 15.999 12 O 0.74332795713728 0.31349015557690 0.04431860558975 15.999 13 O 0.72445985380220 0.74789394092479 0.89542167955317 15.999 14 O 0.46794729348091 0.76961301241464 0.66201841630236 15.999 15 O 0.94156177544725 0.18946916531770 0.32214378304076 15.999 16 O 0.94156177544725 0.31053083468230 0.82214378304076 15.999 17 O 0.05843822455275 0.68946916531770 0.17785621695924 15.999 18 O 0.25667204286272 0.68650984442310 0.95568139441025 15.999 19 O 0.25667204286272 0.81349015557690 0.45568139441025 15.999 20 O 0.05843822455275 0.81053083468230 0.67785621695924 15.999 21 O 0.46794729348091 0.73038698758536 0.16201841630236 15.999 22 O 0.72445985380220 0.75210605907521 0.39542167955317 15.999 23 O 0.53205270651909 0.26961301241465 0.83798158369764 15.999 24 O 0.53205270651909 0.23038698758536 0.33798158369764 15.999 25 O 0.27554014619780 0.24789394092479 0.60457832044683 15.999 26 O 0.74332795713728 0.18650984442310 0.54431860558975 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.825064980198402 0.000000000000000 0.000000000000000 b 0.000000000000000 9.495532099999998 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): 1 Mg 0.11946984468529 0.24444377259494 0.77738088168094 24.305 > 1 2 Mg 0.61946984468529 0.24444377259494 0.77738088168094 24.305 > 1 3 Mg 0.11946984468529 0.74444377259494 0.77738088168094 24.305 > 1 4 Mg 0.61946984468529 0.74444377259494 0.77738088168094 24.305 > 1 5 Mg 0.38053015531471 0.49444377259494 0.72261911831906 24.305 > 5 6 Mg 0.88053015531471 0.49444377259494 0.72261911831906 24.305 > 5 7 Mg 0.38053015531471 0.99444377259494 0.72261911831906 24.305 > 5 8 Mg 0.88053015531471 0.99444377259494 0.72261911831906 24.305 > 5 9 Mg 0.11946984468529 0.00555622740506 0.27738088168094 24.305 > 9 10 Mg 0.61946984468529 0.00555622740506 0.27738088168094 24.305 > 9 11 Mg 0.11946984468529 0.50555622740506 0.27738088168094 24.305 > 9 12 Mg 0.61946984468529 0.50555622740506 0.27738088168094 24.305 > 9 13 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 13 14 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 13 15 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 13 16 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 13 17 Mg 0.38053015531471 0.25555622740506 0.22261911831906 24.305 > 17 18 Mg 0.88053015531471 0.25555622740506 0.22261911831906 24.305 > 17 19 Mg 0.38053015531471 0.75555622740506 0.22261911831906 24.305 > 17 20 Mg 0.88053015531471 0.75555622740506 0.22261911831906 24.305 > 17 21 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 21 22 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 21 23 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 21 24 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 21 25 P 0.37183675929690 0.03698160252183 0.40264472180340 30.974 > 25 26 P 0.87183675929690 0.03698160252183 0.40264472180340 30.974 > 25 27 P 0.37183675929690 0.53698160252183 0.40264472180340 30.974 > 25 28 P 0.87183675929690 0.53698160252183 0.40264472180340 30.974 > 25 29 P 0.12816324070310 0.28698160252183 0.09735527819660 30.974 > 29 30 P 0.62816324070310 0.28698160252183 0.09735527819660 30.974 > 29 31 P 0.12816324070310 0.78698160252183 0.09735527819660 30.974 > 29 32 P 0.62816324070310 0.78698160252183 0.09735527819660 30.974 > 29 33 P 0.12816324070310 0.46301839747817 0.59735527819661 30.974 > 33 34 P 0.62816324070310 0.46301839747817 0.59735527819661 30.974 > 33 35 P 0.12816324070310 0.96301839747817 0.59735527819661 30.974 > 33 36 P 0.62816324070310 0.96301839747817 0.59735527819661 30.974 > 33 37 P 0.37183675929690 0.21301839747817 0.90264472180339 30.974 > 37 38 P 0.87183675929690 0.21301839747817 0.90264472180339 30.974 > 37 39 P 0.37183675929690 0.71301839747817 0.90264472180339 30.974 > 37 40 P 0.87183675929690 0.71301839747817 0.90264472180339 30.974 > 37 41 O 0.13777007309890 0.12605302953761 0.10457832044683 15.999 > 41 42 O 0.63777007309890 0.12605302953761 0.10457832044683 15.999 > 41 43 O 0.13777007309890 0.62605302953761 0.10457832044683 15.999 > 41 44 O 0.63777007309890 0.62605302953761 0.10457832044683 15.999 > 41 45 O 0.37166397856864 0.15674507778845 0.04431860558975 15.999 > 45 46 O 0.87166397856864 0.15674507778845 0.04431860558975 15.999 > 45 47 O 0.37166397856864 0.65674507778845 0.04431860558975 15.999 > 45 48 O 0.87166397856864 0.65674507778845 0.04431860558975 15.999 > 45 49 O 0.36222992690110 0.37394697046239 0.89542167955317 15.999 > 49 50 O 0.86222992690110 0.37394697046239 0.89542167955317 15.999 > 49 51 O 0.36222992690110 0.87394697046239 0.89542167955317 15.999 > 49 52 O 0.86222992690110 0.87394697046239 0.89542167955317 15.999 > 49 53 O 0.23397364674046 0.38480650620732 0.66201841630236 15.999 > 53 54 O 0.73397364674046 0.38480650620732 0.66201841630236 15.999 > 53 55 O 0.23397364674046 0.88480650620732 0.66201841630236 15.999 > 53 56 O 0.73397364674046 0.88480650620732 0.66201841630236 15.999 > 53 57 O 0.47078088772363 0.09473458265885 0.32214378304076 15.999 > 57 58 O 0.97078088772363 0.09473458265885 0.32214378304076 15.999 > 57 59 O 0.47078088772363 0.59473458265885 0.32214378304076 15.999 > 57 60 O 0.97078088772363 0.59473458265885 0.32214378304076 15.999 > 57 61 O 0.47078088772363 0.15526541734115 0.82214378304076 15.999 > 61 62 O 0.97078088772363 0.15526541734115 0.82214378304076 15.999 > 61 63 O 0.47078088772363 0.65526541734115 0.82214378304076 15.999 > 61 64 O 0.97078088772363 0.65526541734115 0.82214378304076 15.999 > 61 65 O 0.02921911227637 0.34473458265885 0.17785621695924 15.999 > 65 66 O 0.52921911227637 0.34473458265885 0.17785621695924 15.999 > 65 67 O 0.02921911227637 0.84473458265885 0.17785621695924 15.999 > 65 68 O 0.52921911227637 0.84473458265885 0.17785621695924 15.999 > 65 69 O 0.12833602143136 0.34325492221155 0.95568139441025 15.999 > 69 70 O 0.62833602143136 0.34325492221155 0.95568139441025 15.999 > 69 71 O 0.12833602143136 0.84325492221155 0.95568139441025 15.999 > 69 72 O 0.62833602143136 0.84325492221155 0.95568139441025 15.999 > 69 73 O 0.12833602143136 0.40674507778845 0.45568139441025 15.999 > 73 74 O 0.62833602143136 0.40674507778845 0.45568139441025 15.999 > 73 75 O 0.12833602143136 0.90674507778845 0.45568139441025 15.999 > 73 76 O 0.62833602143136 0.90674507778845 0.45568139441025 15.999 > 73 77 O 0.02921911227637 0.40526541734115 0.67785621695924 15.999 > 77 78 O 0.52921911227637 0.40526541734115 0.67785621695924 15.999 > 77 79 O 0.02921911227637 0.90526541734115 0.67785621695924 15.999 > 77 80 O 0.52921911227637 0.90526541734115 0.67785621695924 15.999 > 77 81 O 0.23397364674046 0.36519349379268 0.16201841630236 15.999 > 81 82 O 0.73397364674046 0.36519349379268 0.16201841630236 15.999 > 81 83 O 0.23397364674046 0.86519349379268 0.16201841630236 15.999 > 81 84 O 0.73397364674046 0.86519349379268 0.16201841630236 15.999 > 81 85 O 0.36222992690110 0.37605302953761 0.39542167955317 15.999 > 85 86 O 0.86222992690110 0.37605302953761 0.39542167955317 15.999 > 85 87 O 0.36222992690110 0.87605302953761 0.39542167955317 15.999 > 85 88 O 0.86222992690110 0.87605302953761 0.39542167955317 15.999 > 85 89 O 0.26602635325954 0.13480650620732 0.83798158369764 15.999 > 89 90 O 0.76602635325954 0.13480650620732 0.83798158369764 15.999 > 89 91 O 0.26602635325954 0.63480650620732 0.83798158369764 15.999 > 89 92 O 0.76602635325954 0.63480650620732 0.83798158369764 15.999 > 89 93 O 0.26602635325954 0.11519349379268 0.33798158369764 15.999 > 93 94 O 0.76602635325954 0.11519349379268 0.33798158369764 15.999 > 93 95 O 0.26602635325954 0.61519349379268 0.33798158369764 15.999 > 93 96 O 0.76602635325954 0.61519349379268 0.33798158369764 15.999 > 93 97 O 0.13777007309890 0.12394697046239 0.60457832044683 15.999 > 97 98 O 0.63777007309890 0.12394697046239 0.60457832044683 15.999 > 97 99 O 0.13777007309890 0.62394697046239 0.60457832044683 15.999 > 97 100 O 0.63777007309890 0.62394697046239 0.60457832044683 15.999 > 97 101 O 0.37166397856864 0.09325492221155 0.54431860558975 15.999 > 101 102 O 0.87166397856864 0.09325492221155 0.54431860558975 15.999 > 101 103 O 0.37166397856864 0.59325492221155 0.54431860558975 15.999 > 101 104 O 0.87166397856864 0.59325492221155 0.54431860558975 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6463525 0.0000000 -0.0650322 0.0000000 2.7125479 0.0000000 -0.0650319 0.0000000 2.6627799 -------------------------- Born effective charges -------------------------- 1 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 2 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 3 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 4 Mg 1.8091900 0.1683985 -0.3031496 -0.0309396 2.4836927 0.0815975 -0.3704725 -0.0975878 1.7763087 5 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 6 Mg 1.8091900 -0.1683985 -0.3031496 0.0309396 2.4836927 -0.0815975 -0.3704725 0.0975878 1.7763087 7 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 8 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 9 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 10 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 11 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 12 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 13 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 14 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 15 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 16 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 17 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 18 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 19 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 20 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 21 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 22 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 23 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 24 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 25 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 26 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 57, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:11:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.912532490099201 0.000000000000000 0.000000000000000 b 0.000000000000000 4.747766049999999 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): 1 Mg 0.23893968937058 0.48888754518989 0.77738088168094 24.305 2 Mg 0.76106031062942 0.98888754518989 0.72261911831906 24.305 3 Mg 0.23893968937058 0.01111245481011 0.27738088168094 24.305 4 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 5 Mg 0.76106031062942 0.51111245481011 0.22261911831906 24.305 6 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 7 P 0.74367351859381 0.07396320504366 0.40264472180340 30.974 8 P 0.25632648140619 0.57396320504365 0.09735527819660 30.974 9 P 0.25632648140619 0.92603679495635 0.59735527819661 30.974 10 P 0.74367351859381 0.42603679495634 0.90264472180339 30.974 11 O 0.27554014619780 0.25210605907521 0.10457832044683 15.999 12 O 0.74332795713728 0.31349015557690 0.04431860558975 15.999 13 O 0.72445985380220 0.74789394092479 0.89542167955317 15.999 14 O 0.46794729348091 0.76961301241464 0.66201841630236 15.999 15 O 0.94156177544725 0.18946916531770 0.32214378304076 15.999 16 O 0.94156177544725 0.31053083468230 0.82214378304076 15.999 17 O 0.05843822455275 0.68946916531770 0.17785621695924 15.999 18 O 0.25667204286272 0.68650984442310 0.95568139441025 15.999 19 O 0.25667204286272 0.81349015557690 0.45568139441025 15.999 20 O 0.05843822455275 0.81053083468230 0.67785621695924 15.999 21 O 0.46794729348091 0.73038698758536 0.16201841630236 15.999 22 O 0.72445985380220 0.75210605907521 0.39542167955317 15.999 23 O 0.53205270651909 0.26961301241465 0.83798158369764 15.999 24 O 0.53205270651909 0.23038698758536 0.33798158369764 15.999 25 O 0.27554014619780 0.24789394092479 0.60457832044683 15.999 26 O 0.74332795713728 0.18650984442310 0.54431860558975 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.825064980198402 0.000000000000000 0.000000000000000 b 0.000000000000000 9.495532099999998 0.000000000000000 c -0.104360032628788 0.000000000000000 10.232974994706401 Atomic positions (fractional): 1 Mg 0.11946984468529 0.24444377259494 0.77738088168094 24.305 > 1 2 Mg 0.61946984468529 0.24444377259494 0.77738088168094 24.305 > 1 3 Mg 0.11946984468529 0.74444377259494 0.77738088168094 24.305 > 1 4 Mg 0.61946984468529 0.74444377259494 0.77738088168094 24.305 > 1 5 Mg 0.38053015531471 0.49444377259494 0.72261911831906 24.305 > 5 6 Mg 0.88053015531471 0.49444377259494 0.72261911831906 24.305 > 5 7 Mg 0.38053015531471 0.99444377259494 0.72261911831906 24.305 > 5 8 Mg 0.88053015531471 0.99444377259494 0.72261911831906 24.305 > 5 9 Mg 0.11946984468529 0.00555622740506 0.27738088168094 24.305 > 9 10 Mg 0.61946984468529 0.00555622740506 0.27738088168094 24.305 > 9 11 Mg 0.11946984468529 0.50555622740506 0.27738088168094 24.305 > 9 12 Mg 0.61946984468529 0.50555622740506 0.27738088168094 24.305 > 9 13 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 13 14 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 13 15 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 13 16 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 13 17 Mg 0.38053015531471 0.25555622740506 0.22261911831906 24.305 > 17 18 Mg 0.88053015531471 0.25555622740506 0.22261911831906 24.305 > 17 19 Mg 0.38053015531471 0.75555622740506 0.22261911831906 24.305 > 17 20 Mg 0.88053015531471 0.75555622740506 0.22261911831906 24.305 > 17 21 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 21 22 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 21 23 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 21 24 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 21 25 P 0.37183675929690 0.03698160252183 0.40264472180340 30.974 > 25 26 P 0.87183675929690 0.03698160252183 0.40264472180340 30.974 > 25 27 P 0.37183675929690 0.53698160252183 0.40264472180340 30.974 > 25 28 P 0.87183675929690 0.53698160252183 0.40264472180340 30.974 > 25 29 P 0.12816324070310 0.28698160252183 0.09735527819660 30.974 > 29 30 P 0.62816324070310 0.28698160252183 0.09735527819660 30.974 > 29 31 P 0.12816324070310 0.78698160252183 0.09735527819660 30.974 > 29 32 P 0.62816324070310 0.78698160252183 0.09735527819660 30.974 > 29 33 P 0.12816324070310 0.46301839747817 0.59735527819661 30.974 > 33 34 P 0.62816324070310 0.46301839747817 0.59735527819661 30.974 > 33 35 P 0.12816324070310 0.96301839747817 0.59735527819661 30.974 > 33 36 P 0.62816324070310 0.96301839747817 0.59735527819661 30.974 > 33 37 P 0.37183675929690 0.21301839747817 0.90264472180339 30.974 > 37 38 P 0.87183675929690 0.21301839747817 0.90264472180339 30.974 > 37 39 P 0.37183675929690 0.71301839747817 0.90264472180339 30.974 > 37 40 P 0.87183675929690 0.71301839747817 0.90264472180339 30.974 > 37 41 O 0.13777007309890 0.12605302953761 0.10457832044683 15.999 > 41 42 O 0.63777007309890 0.12605302953761 0.10457832044683 15.999 > 41 43 O 0.13777007309890 0.62605302953761 0.10457832044683 15.999 > 41 44 O 0.63777007309890 0.62605302953761 0.10457832044683 15.999 > 41 45 O 0.37166397856864 0.15674507778845 0.04431860558975 15.999 > 45 46 O 0.87166397856864 0.15674507778845 0.04431860558975 15.999 > 45 47 O 0.37166397856864 0.65674507778845 0.04431860558975 15.999 > 45 48 O 0.87166397856864 0.65674507778845 0.04431860558975 15.999 > 45 49 O 0.36222992690110 0.37394697046239 0.89542167955317 15.999 > 49 50 O 0.86222992690110 0.37394697046239 0.89542167955317 15.999 > 49 51 O 0.36222992690110 0.87394697046239 0.89542167955317 15.999 > 49 52 O 0.86222992690110 0.87394697046239 0.89542167955317 15.999 > 49 53 O 0.23397364674046 0.38480650620732 0.66201841630236 15.999 > 53 54 O 0.73397364674046 0.38480650620732 0.66201841630236 15.999 > 53 55 O 0.23397364674046 0.88480650620732 0.66201841630236 15.999 > 53 56 O 0.73397364674046 0.88480650620732 0.66201841630236 15.999 > 53 57 O 0.47078088772363 0.09473458265885 0.32214378304076 15.999 > 57 58 O 0.97078088772363 0.09473458265885 0.32214378304076 15.999 > 57 59 O 0.47078088772363 0.59473458265885 0.32214378304076 15.999 > 57 60 O 0.97078088772363 0.59473458265885 0.32214378304076 15.999 > 57 61 O 0.47078088772363 0.15526541734115 0.82214378304076 15.999 > 61 62 O 0.97078088772363 0.15526541734115 0.82214378304076 15.999 > 61 63 O 0.47078088772363 0.65526541734115 0.82214378304076 15.999 > 61 64 O 0.97078088772363 0.65526541734115 0.82214378304076 15.999 > 61 65 O 0.02921911227637 0.34473458265885 0.17785621695924 15.999 > 65 66 O 0.52921911227637 0.34473458265885 0.17785621695924 15.999 > 65 67 O 0.02921911227637 0.84473458265885 0.17785621695924 15.999 > 65 68 O 0.52921911227637 0.84473458265885 0.17785621695924 15.999 > 65 69 O 0.12833602143136 0.34325492221155 0.95568139441025 15.999 > 69 70 O 0.62833602143136 0.34325492221155 0.95568139441025 15.999 > 69 71 O 0.12833602143136 0.84325492221155 0.95568139441025 15.999 > 69 72 O 0.62833602143136 0.84325492221155 0.95568139441025 15.999 > 69 73 O 0.12833602143136 0.40674507778845 0.45568139441025 15.999 > 73 74 O 0.62833602143136 0.40674507778845 0.45568139441025 15.999 > 73 75 O 0.12833602143136 0.90674507778845 0.45568139441025 15.999 > 73 76 O 0.62833602143136 0.90674507778845 0.45568139441025 15.999 > 73 77 O 0.02921911227637 0.40526541734115 0.67785621695924 15.999 > 77 78 O 0.52921911227637 0.40526541734115 0.67785621695924 15.999 > 77 79 O 0.02921911227637 0.90526541734115 0.67785621695924 15.999 > 77 80 O 0.52921911227637 0.90526541734115 0.67785621695924 15.999 > 77 81 O 0.23397364674046 0.36519349379268 0.16201841630236 15.999 > 81 82 O 0.73397364674046 0.36519349379268 0.16201841630236 15.999 > 81 83 O 0.23397364674046 0.86519349379268 0.16201841630236 15.999 > 81 84 O 0.73397364674046 0.86519349379268 0.16201841630236 15.999 > 81 85 O 0.36222992690110 0.37605302953761 0.39542167955317 15.999 > 85 86 O 0.86222992690110 0.37605302953761 0.39542167955317 15.999 > 85 87 O 0.36222992690110 0.87605302953761 0.39542167955317 15.999 > 85 88 O 0.86222992690110 0.87605302953761 0.39542167955317 15.999 > 85 89 O 0.26602635325954 0.13480650620732 0.83798158369764 15.999 > 89 90 O 0.76602635325954 0.13480650620732 0.83798158369764 15.999 > 89 91 O 0.26602635325954 0.63480650620732 0.83798158369764 15.999 > 89 92 O 0.76602635325954 0.63480650620732 0.83798158369764 15.999 > 89 93 O 0.26602635325954 0.11519349379268 0.33798158369764 15.999 > 93 94 O 0.76602635325954 0.11519349379268 0.33798158369764 15.999 > 93 95 O 0.26602635325954 0.61519349379268 0.33798158369764 15.999 > 93 96 O 0.76602635325954 0.61519349379268 0.33798158369764 15.999 > 93 97 O 0.13777007309890 0.12394697046239 0.60457832044683 15.999 > 97 98 O 0.63777007309890 0.12394697046239 0.60457832044683 15.999 > 97 99 O 0.13777007309890 0.62394697046239 0.60457832044683 15.999 > 97 100 O 0.63777007309890 0.62394697046239 0.60457832044683 15.999 > 97 101 O 0.37166397856864 0.09325492221155 0.54431860558975 15.999 > 101 102 O 0.87166397856864 0.09325492221155 0.54431860558975 15.999 > 101 103 O 0.37166397856864 0.59325492221155 0.54431860558975 15.999 > 101 104 O 0.87166397856864 0.59325492221155 0.54431860558975 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6463525 0.0000000 -0.0650322 0.0000000 2.7125479 0.0000000 -0.0650319 0.0000000 2.6627799 -------------------------- Born effective charges -------------------------- 1 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 2 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 3 Mg 2.1490369 -0.0243619 -0.0069781 0.0461212 2.0109055 -0.0553031 -0.0213388 0.0641305 2.3344310 4 Mg 1.8091900 0.1683985 -0.3031496 -0.0309396 2.4836927 0.0815975 -0.3704725 -0.0975878 1.7763087 5 Mg 2.1490369 0.0243619 -0.0069781 -0.0461212 2.0109055 0.0553031 -0.0213388 -0.0641305 2.3344310 6 Mg 1.8091900 -0.1683985 -0.3031496 0.0309396 2.4836927 -0.0815975 -0.3704725 0.0975878 1.7763087 7 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 8 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 9 P 3.1402758 0.0199102 -0.2352507 -0.1215599 3.2274593 -0.0834940 -0.1570026 -0.0193364 3.0771169 10 P 3.1402758 -0.0199102 -0.2352507 0.1215599 3.2274593 0.0834940 -0.1570026 0.0193364 3.0771169 11 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 12 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 13 O -1.1723036 0.1839871 0.1582782 0.1995403 -2.3111589 0.1565258 0.1522540 0.1040039 -1.2563886 14 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 15 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 16 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 17 O -1.9556136 0.1071620 0.5059471 0.0252882 -1.3217385 -0.2817456 0.3893940 -0.2926148 -1.4151014 18 O -1.2321866 -0.1419146 0.0171314 -0.1346139 -1.2909755 0.1147830 0.0441600 0.1926316 -2.1317949 19 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 20 O -1.9556136 -0.1071620 0.5059471 -0.0252882 -1.3217385 0.2817456 0.3893940 0.2926148 -1.4151014 21 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 22 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 23 O -1.8338040 -0.2203425 -0.2875531 -0.2158813 -1.5563383 -0.1992205 -0.2222304 -0.1746036 -1.4964173 24 O -1.8338040 0.2203425 -0.2875531 0.2158813 -1.5563383 0.1992205 -0.2222304 0.1746036 -1.4964173 25 O -1.1723036 -0.1839871 0.1582782 -0.1995403 -2.3111589 -0.1565258 0.1522540 -0.1040039 -1.2563886 26 O -1.2321866 0.1419146 0.0171314 0.1346139 -1.2909755 -0.1147830 0.0441600 -0.1926316 -2.1317949 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) 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 ... [ 8 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 295, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 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 3.397 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.860 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.163 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 13.356 ( 0.000 0.000 0.000) 0.000 13.737 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 15.229 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 0.000 0.000) 0.000 16.634 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.578 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.448 ( 0.000 0.000 0.000) 0.000 18.587 ( 0.000 0.000 0.000) 0.000 18.654 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 19.068 ( 0.000 0.000 0.000) 0.000 26.268 ( 0.000 0.000 0.000) 0.000 26.432 ( 0.000 0.000 0.000) 0.000 26.773 ( 0.000 0.000 0.000) 0.000 26.780 ( 0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 28.569 ( 0.000 0.000 0.000) 0.000 28.613 ( 0.000 0.000 0.000) 0.000 29.184 ( 0.000 0.000 0.000) 0.000 31.113 ( 0.000 0.000 0.000) 0.000 31.278 ( 0.000 0.000 0.000) 0.000 31.439 ( 0.000 0.000 0.000) 0.000 31.835 ( 0.000 0.000 0.000) 0.000 32.114 ( 0.000 0.000 0.000) 0.000 32.154 ( 0.000 0.000 0.000) 0.000 32.190 ( 0.000 0.000 0.000) 0.000 34.027 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 38.048 0.000 -9.214) 39.148 0.851 ( 39.456 0.000 16.267) 42.677 1.508 ( 69.039 0.000 -26.808) 74.062 3.373 ( -1.961 0.000 3.875) 4.343 3.760 ( -4.638 0.000 19.909) 20.443 4.120 ( 11.299 0.000 -0.016) 11.299 4.536 ( 7.895 0.000 -12.640) 14.903 4.866 ( 8.911 0.000 -13.489) 16.167 5.257 ( -3.597 0.000 3.089) 4.741 5.533 ( -8.829 0.000 8.190) 12.043 5.922 ( -17.310 0.000 9.952) 19.967 5.950 ( -0.920 0.000 -8.185) 8.237 6.023 ( -3.625 0.000 9.358) 10.036 6.269 ( -0.897 0.000 6.129) 6.195 6.506 ( 7.888 0.000 1.246) 7.986 6.559 ( 15.013 0.000 -16.381) 22.220 6.828 ( 16.535 0.000 -5.061) 17.292 7.572 ( -11.519 0.000 6.700) 13.326 7.633 ( 12.243 0.000 -4.978) 13.216 7.917 ( 3.654 0.000 6.039) 7.058 8.095 ( -7.179 0.000 14.453) 16.138 8.143 ( -5.290 0.000 11.548) 12.702 8.224 ( -2.849 0.000 6.232) 6.852 8.380 ( 3.668 0.000 -15.231) 15.667 8.567 ( 4.291 0.000 -0.454) 4.315 8.622 ( 4.951 0.000 7.430) 8.928 8.769 ( 7.927 0.000 7.418) 10.856 8.933 ( 8.808 0.000 1.056) 8.871 9.551 ( -1.045 0.000 1.258) 1.635 9.862 ( -4.138 0.000 -0.317) 4.150 10.007 ( -8.253 0.000 -6.711) 10.637 10.230 ( -2.111 0.000 1.594) 2.645 10.482 ( -6.008 0.000 0.263) 6.014 10.482 ( 1.582 0.000 3.165) 3.539 10.932 ( 5.379 0.000 -1.378) 5.553 11.039 ( -4.292 0.000 -20.947) 21.382 11.061 ( -4.911 0.000 1.317) 5.084 11.174 ( -3.790 0.000 1.026) 3.927 11.235 ( 0.088 0.000 -13.319) 13.319 11.703 ( -4.746 0.000 -5.856) 7.538 12.023 ( 1.588 0.000 1.390) 2.111 12.086 ( -4.110 0.000 -1.206) 4.284 12.637 ( -3.493 0.000 4.154) 5.427 13.171 ( -2.893 0.000 5.541) 6.251 13.707 ( -3.271 0.000 -27.344) 27.538 13.758 ( 1.348 0.000 7.184) 7.309 14.156 ( 5.147 0.000 -1.351) 5.322 14.604 ( 4.125 0.000 4.590) 6.171 15.201 ( -3.555 0.000 -0.932) 3.675 15.379 ( -1.918 0.000 -0.570) 2.000 15.421 ( -6.192 0.000 5.550) 8.316 16.348 ( -1.640 0.000 -0.145) 1.646 16.437 ( 2.813 0.000 7.605) 8.109 16.602 ( -2.936 0.000 -1.514) 3.303 17.418 ( 1.346 0.000 -26.600) 26.634 17.567 ( -1.189 0.000 -0.509) 1.294 18.044 ( 1.163 0.000 0.881) 1.460 18.404 ( -2.550 0.000 3.705) 4.498 18.613 ( 1.151 0.000 -3.452) 3.639 18.677 ( 2.145 0.000 -0.912) 2.331 18.989 ( 0.970 0.000 -1.035) 1.419 19.139 ( -1.036 0.000 7.014) 7.091 26.352 ( -5.260 0.000 -5.946) 7.939 26.738 ( -3.441 0.000 2.486) 4.246 26.866 ( 6.352 0.000 0.300) 6.359 27.244 ( 3.061 0.000 18.874) 19.121 28.485 ( 0.051 0.000 -0.481) 0.484 28.634 ( 1.858 0.000 -1.454) 2.359 29.232 ( 4.327 0.000 0.680) 4.380 29.586 ( -2.093 0.000 92.330) 92.354 31.133 ( 1.884 0.000 1.897) 2.674 31.274 ( -0.295 0.000 -0.170) 0.341 31.874 ( 2.876 0.000 -2.614) 3.887 31.886 ( -2.389 0.000 -39.187) 39.260 32.045 ( -5.341 0.000 0.109) 5.343 32.193 ( 0.150 0.000 5.761) 5.763 33.080 ( 0.321 0.000 -84.880) 84.880 33.985 ( -4.004 0.000 6.317) 7.479 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 37.325 0.000 -8.131) 38.201 1.651 ( 34.919 0.000 15.105) 38.046 2.836 ( 54.474 0.000 -26.193) 60.444 3.333 ( -1.506 0.000 7.119) 7.277 3.691 ( -0.148 0.000 20.669) 20.670 4.371 ( 10.544 0.000 -4.983) 11.662 4.679 ( 2.870 0.000 -10.387) 10.776 5.072 ( -16.775 0.000 12.619) 20.991 5.083 ( 11.503 0.000 -23.382) 26.058 5.361 ( -8.703 0.000 0.418) 8.713 5.511 ( -12.430 0.000 9.267) 15.504 5.975 ( 4.188 0.000 -5.782) 7.140 6.080 ( 5.143 0.000 8.793) 10.186 6.253 ( 0.243 0.000 9.625) 9.628 6.681 ( 6.938 0.000 0.254) 6.943 6.864 ( 12.170 0.000 -10.902) 16.339 7.153 ( 14.838 0.000 -0.324) 14.841 7.285 ( -15.743 0.000 10.238) 18.780 7.856 ( -7.863 0.000 8.348) 11.468 7.952 ( -2.596 0.000 8.232) 8.632 8.064 ( 23.728 0.000 -7.381) 24.850 8.186 ( 2.866 0.000 -7.064) 7.624 8.222 ( 8.048 0.000 -1.893) 8.267 8.457 ( 3.751 0.000 -9.223) 9.956 8.648 ( 3.021 0.000 3.823) 4.873 8.698 ( 2.893 0.000 6.369) 6.995 8.975 ( 10.247 0.000 8.806) 13.512 9.121 ( 7.857 0.000 5.248) 9.449 9.531 ( -0.414 0.000 -2.299) 2.336 9.734 ( -7.592 0.000 -1.381) 7.716 9.792 ( -11.216 0.000 -11.962) 16.398 10.152 ( -5.441 0.000 2.329) 5.918 10.363 ( -4.544 0.000 -0.549) 4.578 10.490 ( -1.358 0.000 4.178) 4.393 10.890 ( -10.006 0.000 10.710) 14.657 10.931 ( -6.933 0.000 0.629) 6.961 11.040 ( 3.820 0.000 -4.613) 5.989 11.085 ( -3.484 0.000 -11.349) 11.872 11.221 ( -1.116 0.000 -12.359) 12.409 11.495 ( -12.458 0.000 1.065) 12.503 12.078 ( 2.407 0.000 -6.116) 6.572 12.081 ( 3.691 0.000 1.633) 4.036 12.519 ( -7.603 0.000 6.522) 10.017 13.095 ( -3.990 0.000 2.266) 4.588 13.619 ( -4.231 0.000 -10.155) 11.001 13.775 ( -0.089 0.000 6.356) 6.357 14.303 ( 8.454 0.000 -1.300) 8.554 14.652 ( -0.714 0.000 7.475) 7.509 15.134 ( -2.435 0.000 -2.385) 3.408 15.248 ( -9.830 0.000 2.178) 10.068 15.370 ( 2.516 0.000 0.839) 2.653 16.308 ( -1.979 0.000 0.296) 2.001 16.506 ( 3.313 0.000 4.294) 5.423 16.518 ( -4.726 0.000 -2.395) 5.299 17.448 ( 1.790 0.000 -14.478) 14.588 17.523 ( -2.891 0.000 -0.160) 2.896 18.069 ( 0.972 0.000 1.452) 1.747 18.372 ( -0.614 0.000 2.677) 2.747 18.620 ( -0.117 0.000 -2.095) 2.098 18.740 ( 3.631 0.000 -1.702) 4.010 19.010 ( 0.830 0.000 -1.879) 2.055 19.109 ( -1.847 0.000 4.814) 5.156 26.262 ( -2.820 0.000 -5.737) 6.393 26.660 ( -3.500 0.000 2.341) 4.211 26.981 ( 4.110 0.000 -1.338) 4.322 27.317 ( 3.187 0.000 7.093) 7.776 28.485 ( -0.029 0.000 -0.580) 0.580 28.683 ( 2.618 0.000 -2.219) 3.432 29.346 ( 5.813 0.000 0.355) 5.824 29.554 ( -2.083 0.000 39.825) 39.879 31.190 ( 3.318 0.000 3.453) 4.789 31.272 ( 0.298 0.000 -1.294) 1.327 31.808 ( -4.193 0.000 -20.357) 20.784 31.811 ( -8.878 0.000 3.122) 9.411 32.048 ( 6.017 0.000 -5.932) 8.449 32.196 ( 0.047 0.000 7.350) 7.350 33.066 ( -0.387 0.000 -37.026) 37.029 33.870 ( -6.603 0.000 8.877) 11.063 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 21.712 0.000 11.012) 24.345 2.323 ( 29.310 0.000 -5.878) 29.893 3.328 ( 1.261 0.000 5.387) 5.533 3.532 ( 11.169 0.000 1.426) 11.259 3.988 ( 26.870 0.000 -14.606) 30.584 4.531 ( 5.077 0.000 -11.667) 12.724 4.581 ( -10.453 0.000 1.209) 10.523 4.589 ( -24.867 0.000 8.543) 26.293 5.145 ( -9.020 0.000 18.777) 20.831 5.342 ( 12.498 0.000 -19.649) 23.287 5.452 ( 1.301 0.000 -4.888) 5.058 6.097 ( 5.290 0.000 -0.837) 5.356 6.209 ( 5.775 0.000 3.740) 6.880 6.295 ( 3.142 0.000 3.596) 4.776 6.782 ( 2.964 0.000 0.433) 2.995 6.960 ( -13.091 0.000 13.447) 18.768 7.044 ( 5.261 0.000 -2.744) 5.934 7.472 ( 14.668 0.000 -0.664) 14.683 7.733 ( -3.994 0.000 1.784) 4.374 7.841 ( -7.305 0.000 2.741) 7.802 8.115 ( -2.238 0.000 -2.835) 3.612 8.471 ( 13.948 0.000 -3.341) 14.343 8.509 ( 2.745 0.000 -6.673) 7.215 8.649 ( 3.137 0.000 2.761) 4.179 8.729 ( 17.402 0.000 -8.360) 19.306 8.748 ( 1.208 0.000 8.467) 8.553 9.230 ( 16.114 0.000 11.165) 19.604 9.253 ( 4.608 0.000 11.454) 12.346 9.525 ( -4.596 0.000 -4.206) 6.230 9.574 ( -3.943 0.000 -16.532) 16.995 9.580 ( -5.276 0.000 -4.526) 6.952 10.004 ( -8.758 0.000 1.318) 8.856 10.298 ( -1.440 0.000 -0.222) 1.457 10.412 ( -6.294 0.000 3.632) 7.267 10.665 ( -8.958 0.000 9.450) 13.021 10.787 ( -6.759 0.000 0.833) 6.810 10.996 ( -8.839 0.000 -7.208) 11.406 11.042 ( -0.588 0.000 -6.651) 6.677 11.191 ( -1.270 0.000 -6.544) 6.666 11.328 ( -1.204 0.000 5.586) 5.714 12.135 ( 2.763 0.000 -7.857) 8.329 12.162 ( 3.308 0.000 0.846) 3.414 12.343 ( -8.275 0.000 7.727) 11.321 13.022 ( -2.614 0.000 0.724) 2.712 13.540 ( -2.812 0.000 -3.827) 4.749 13.761 ( -1.005 0.000 2.830) 3.003 14.499 ( 9.655 0.000 -0.794) 9.687 14.605 ( -2.591 0.000 4.838) 5.488 15.026 ( -10.638 0.000 1.005) 10.685 15.081 ( -2.352 0.000 -2.618) 3.519 15.491 ( 7.132 0.000 2.833) 7.674 16.271 ( -1.350 0.000 0.354) 1.396 16.414 ( -4.563 0.000 -2.149) 5.044 16.567 ( 2.132 0.000 2.174) 3.045 17.459 ( -2.740 0.000 0.240) 2.751 17.481 ( 1.306 0.000 -7.556) 7.668 18.083 ( 0.375 0.000 1.186) 1.244 18.365 ( -0.360 0.000 0.952) 1.018 18.622 ( 0.423 0.000 -0.498) 0.653 18.816 ( 3.282 0.000 -1.886) 3.785 19.019 ( 0.100 0.000 -1.508) 1.512 19.067 ( -2.003 0.000 3.411) 3.956 26.227 ( -0.671 0.000 -3.138) 3.209 26.602 ( -1.964 0.000 1.250) 2.328 27.038 ( 1.510 0.000 -1.321) 2.006 27.372 ( 1.783 0.000 2.895) 3.400 28.484 ( -0.063 0.000 -0.356) 0.362 28.732 ( 1.845 0.000 -1.709) 2.515 29.453 ( 3.827 0.000 -0.099) 3.828 29.522 ( -1.404 0.000 17.269) 17.326 31.265 ( 3.330 0.000 3.671) 4.956 31.293 ( 1.701 0.000 -2.460) 2.991 31.619 ( -8.112 0.000 3.910) 9.005 31.714 ( -3.917 0.000 -10.999) 11.676 32.184 ( 5.734 0.000 -4.852) 7.512 32.198 ( -0.013 0.000 4.826) 4.826 33.051 ( -0.377 0.000 -16.114) 16.119 33.735 ( -5.550 0.000 6.543) 8.580 ======================= Grid point 4 (5/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 0.000 0.000 -0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 -0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.297 ( -0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 -0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 -0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 -0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.722 ( -0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 -0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.687 ( -0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 -0.000) 0.000 8.935 ( 0.000 0.000 -0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.381 ( -0.000 0.000 -0.000) 0.000 9.450 ( 0.000 0.000 -0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.682 ( -0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 -0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 -0.000) 0.000 10.871 ( 0.000 0.000 -0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 -0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.213 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 -0.000) 0.000 14.863 ( 0.000 0.000 -0.000) 0.000 15.053 ( 0.000 0.000 -0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.357 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 17.494 ( 0.000 0.000 -0.000) 0.000 18.087 ( 0.000 0.000 0.000) 0.000 18.360 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 -0.000) 0.000 18.856 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 19.042 ( 0.000 0.000 -0.000) 0.000 26.221 ( 0.000 0.000 -0.000) 0.000 26.581 ( 0.000 0.000 0.000) 0.000 27.053 ( 0.000 0.000 0.000) 0.000 27.391 ( 0.000 0.000 0.000) 0.000 28.483 ( 0.000 0.000 0.000) 0.000 28.753 ( 0.000 0.000 -0.000) 0.000 29.495 ( 0.000 0.000 0.000) 0.000 29.508 ( 0.000 0.000 0.000) 0.000 31.307 ( 0.000 0.000 0.000) 0.000 31.323 ( 0.000 0.000 -0.000) 0.000 31.519 ( 0.000 0.000 0.000) 0.000 31.664 ( 0.000 0.000 0.000) 0.000 32.198 ( 0.000 0.000 -0.000) 0.000 32.250 ( 0.000 0.000 0.000) 0.000 33.045 ( 0.000 0.000 -0.000) 0.000 33.671 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/126) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 0.000 36.637 0.000) 36.637 0.978 ( 0.000 50.650 0.000) 50.650 1.563 ( 0.000 80.198 0.000) 80.198 3.339 ( 0.000 -5.136 0.000) 5.136 3.968 ( 0.000 11.553 0.000) 11.553 4.008 ( 0.000 2.341 0.000) 2.341 4.533 ( 0.000 9.681 0.000) 9.681 4.641 ( 0.000 -9.984 0.000) 9.984 5.284 ( 0.000 -0.546 0.000) 0.546 5.748 ( 0.000 3.621 0.000) 3.621 5.806 ( 0.000 -10.903 0.000) 10.903 6.031 ( 0.000 6.097 0.000) 6.097 6.159 ( 0.000 -8.721 0.000) 8.721 6.371 ( 0.000 -3.365 0.000) 3.365 6.423 ( 0.000 5.074 0.000) 5.074 6.454 ( 0.000 8.171 0.000) 8.171 6.792 ( 0.000 12.328 0.000) 12.328 7.463 ( 0.000 -6.875 0.000) 6.875 7.563 ( 0.000 -7.620 0.000) 7.620 7.654 ( 0.000 -12.986 0.000) 12.986 7.900 ( 0.000 -5.941 0.000) 5.941 7.996 ( 0.000 -9.208 0.000) 9.208 8.030 ( 0.000 -20.271 0.000) 20.271 8.381 ( 0.000 5.530 0.000) 5.530 8.487 ( 0.000 -0.193 0.000) 0.193 8.585 ( 0.000 7.214 0.000) 7.214 8.764 ( 0.000 3.967 0.000) 3.967 9.043 ( 0.000 16.332 0.000) 16.332 9.442 ( 0.000 3.753 0.000) 3.753 9.971 ( 0.000 -8.253 0.000) 8.253 10.070 ( 0.000 -8.817 0.000) 8.817 10.223 ( 0.000 -3.596 0.000) 3.596 10.249 ( 0.000 4.100 0.000) 4.100 10.455 ( 0.000 -8.092 0.000) 8.092 10.958 ( 0.000 -11.254 0.000) 11.254 10.973 ( 0.000 0.459 0.000) 0.459 11.181 ( 0.000 0.708 0.000) 0.708 11.279 ( 0.000 0.928 0.000) 0.928 11.669 ( 0.000 -6.623 0.000) 6.623 12.088 ( 0.000 7.881 0.000) 7.881 12.150 ( 0.000 -1.117 0.000) 1.117 12.472 ( 0.000 -8.977 0.000) 8.977 12.670 ( 0.000 0.953 0.000) 0.953 12.714 ( 0.000 5.352 0.000) 5.352 13.389 ( 0.000 3.158 0.000) 3.158 14.147 ( 0.000 3.939 0.000) 3.939 14.568 ( 0.000 0.581 0.000) 0.581 14.572 ( 0.000 2.569 0.000) 2.569 15.228 ( 0.000 -0.098 0.000) 0.098 15.292 ( 0.000 3.932 0.000) 3.932 15.608 ( 0.000 2.745 0.000) 2.745 15.616 ( 0.000 -4.323 0.000) 4.323 16.389 ( 0.000 1.624 0.000) 1.624 16.593 ( 0.000 -4.206 0.000) 4.206 17.334 ( 0.000 -0.171 0.000) 0.171 17.560 ( 0.000 -1.830 0.000) 1.830 18.026 ( 0.000 -0.378 0.000) 0.378 18.471 ( 0.000 -10.575 0.000) 10.575 18.640 ( 0.000 -1.346 0.000) 1.346 18.972 ( 0.000 -0.454 0.000) 0.454 19.084 ( 0.000 0.607 0.000) 0.607 19.433 ( 0.000 0.596 0.000) 0.596 26.266 ( 0.000 -0.133 0.000) 0.133 26.447 ( 0.000 1.544 0.000) 1.544 26.748 ( 0.000 -2.799 0.000) 2.799 26.824 ( 0.000 0.281 0.000) 0.281 28.516 ( 0.000 3.147 0.000) 3.147 28.596 ( 0.000 2.639 0.000) 2.639 28.643 ( 0.000 2.877 0.000) 2.877 29.481 ( 0.000 -2.765 0.000) 2.765 31.167 ( 0.000 5.464 0.000) 5.464 31.311 ( 0.000 3.303 0.000) 3.303 31.441 ( 0.000 0.140 0.000) 0.140 32.052 ( 0.000 0.047 0.000) 0.047 32.173 ( 0.000 -1.717 0.000) 1.717 32.364 ( 0.000 15.117 0.000) 15.117 33.875 ( 0.000 -7.725 0.000) 7.725 34.412 ( 0.000 -2.777 0.000) 2.777 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.12 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 30.077 26.460 10.069) 41.306 1.339 ( 27.008 38.618 -1.254) 47.142 2.046 ( 43.357 53.677 -20.624) 72.016 3.310 ( -0.548 -2.243 6.851) 7.230 3.926 ( -1.657 11.686 6.825) 13.634 4.170 ( 11.223 5.075 4.901) 13.257 4.618 ( 6.751 7.154 -3.740) 10.524 4.727 ( 9.363 -8.502 -16.266) 20.604 5.261 ( -2.840 0.172 1.697) 3.313 5.633 ( -8.293 7.077 5.582) 12.248 5.712 ( -11.203 -14.333 4.300) 18.693 6.015 ( -5.001 4.451 8.899) 11.137 6.066 ( -6.014 0.884 1.986) 6.395 6.377 ( 0.432 7.736 4.297) 8.860 6.388 ( 6.620 -7.925 -4.148) 11.129 6.640 ( 14.760 5.528 -12.129) 19.888 6.911 ( 9.100 6.853 -4.174) 12.132 7.422 ( -8.244 -11.951 -2.471) 14.727 7.566 ( 7.706 -7.975 -1.892) 11.250 7.771 ( 3.925 -14.888 12.672) 19.941 7.925 ( -2.748 -7.115 6.446) 9.986 8.035 ( 2.707 -11.447 4.624) 12.639 8.099 ( 5.282 -12.033 11.122) 17.216 8.390 ( 2.164 2.152 -12.368) 12.739 8.546 ( 5.154 -2.252 0.532) 5.649 8.627 ( 3.308 5.884 -2.822) 7.317 8.817 ( 4.303 3.110 5.660) 7.760 9.107 ( 5.332 13.251 0.684) 14.300 9.501 ( 3.293 0.309 -4.955) 5.957 9.846 ( -8.653 -5.889 -5.723) 11.929 9.969 ( -5.541 -1.610 1.291) 5.913 10.184 ( -1.060 -6.183 3.062) 6.981 10.387 ( -1.382 -6.971 -1.704) 7.308 10.452 ( 2.930 -2.392 1.315) 4.005 10.872 ( -5.715 -9.809 6.937) 13.304 10.970 ( -0.414 -1.661 -7.723) 7.910 11.108 ( -11.027 0.882 -5.958) 12.565 11.224 ( 0.531 1.083 0.170) 1.218 11.570 ( -10.385 1.066 -17.760) 20.601 11.816 ( -11.063 19.726 10.238) 24.826 12.109 ( 0.394 8.294 1.452) 8.429 12.177 ( -6.086 9.666 -3.396) 11.917 12.644 ( -2.719 0.037 3.844) 4.709 13.100 ( 6.652 -9.104 1.369) 11.358 13.430 ( 4.802 -5.889 -5.158) 9.184 13.970 ( -13.408 5.586 2.823) 14.797 14.300 ( 0.579 11.516 0.251) 11.533 14.663 ( 2.894 4.889 -1.149) 5.796 15.222 ( -3.123 1.882 -1.046) 3.794 15.350 ( -0.163 -0.900 1.746) 1.971 15.471 ( -6.498 3.576 3.367) 8.146 16.062 ( 17.249 -20.797 -1.500) 27.061 16.382 ( -0.103 -0.610 0.495) 0.792 16.587 ( -1.321 -2.543 -0.210) 2.873 17.349 ( 1.428 -2.527 -7.241) 7.801 17.552 ( -0.932 -1.629 -0.697) 2.002 18.034 ( 0.836 -0.558 1.307) 1.649 18.443 ( -3.199 -8.774 0.683) 9.364 18.653 ( 1.296 -2.172 -0.373) 2.557 18.804 ( -16.485 15.575 -8.386) 24.180 18.983 ( 0.682 -0.270 -0.095) 0.740 19.199 ( -3.894 4.602 4.599) 7.582 26.361 ( -5.108 0.906 -5.850) 7.819 26.656 ( 3.891 -9.974 8.943) 13.950 26.808 ( 8.117 -4.484 0.443) 9.284 27.014 ( 14.333 -9.951 7.938) 19.169 28.516 ( 0.047 3.142 -0.481) 3.179 28.662 ( 1.832 2.792 -0.820) 3.439 28.900 ( 17.573 -13.452 13.438) 25.890 29.543 ( 3.845 -3.001 17.323) 17.997 31.188 ( 1.915 5.516 2.266) 6.263 31.336 ( -0.240 4.342 0.588) 4.388 31.539 ( 9.514 -7.136 -20.709) 23.881 31.970 ( -6.227 -1.874 3.029) 7.174 32.238 ( 2.200 4.072 4.115) 6.193 32.260 ( -6.088 13.926 -2.101) 15.344 33.661 ( -24.462 22.437 -29.612) 44.483 33.944 ( -11.011 -1.115 -1.069) 11.119 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 30.532 17.942 11.409) 37.206 1.953 ( 30.875 30.473 -3.889) 43.554 2.992 ( 33.744 16.254 -15.541) 40.551 3.413 ( 15.816 12.084 -0.949) 19.926 3.896 ( -1.433 17.261 14.765) 22.760 4.406 ( 9.682 3.157 -4.296) 11.053 4.730 ( 1.216 4.246 -4.301) 6.165 4.966 ( 8.271 -3.891 -12.863) 15.780 5.145 ( -7.146 2.666 2.752) 8.108 5.323 ( -13.763 -4.264 6.563) 15.832 5.553 ( -3.077 3.998 -1.489) 5.260 5.968 ( 2.239 -0.378 1.471) 2.706 6.048 ( 2.701 -0.653 4.711) 5.470 6.365 ( -0.343 6.758 6.320) 9.259 6.573 ( 7.575 -7.224 -2.712) 10.813 6.910 ( 8.074 2.221 -7.758) 11.415 7.110 ( 7.222 -6.613 -0.739) 9.820 7.222 ( -6.995 -3.872 5.465) 9.685 7.628 ( -3.870 -16.299 6.814) 18.085 7.793 ( -1.556 -14.205 7.694) 16.229 8.075 ( 8.770 -9.490 -1.357) 12.993 8.132 ( 10.933 -0.188 0.594) 10.951 8.204 ( 11.036 -3.239 1.312) 11.576 8.459 ( 4.692 0.380 -14.184) 14.945 8.675 ( 5.741 -1.770 2.231) 6.409 8.691 ( 3.057 4.695 2.885) 6.301 8.940 ( 7.195 -0.815 9.100) 11.629 9.211 ( 3.354 5.663 5.282) 8.439 9.532 ( -0.288 -2.137 -8.077) 8.360 9.689 ( -5.984 -0.363 -8.028) 10.019 9.815 ( -8.687 -0.992 -2.868) 9.202 10.141 ( -3.442 -2.757 5.534) 7.076 10.301 ( -3.943 -4.766 -1.803) 6.443 10.447 ( -3.766 -4.069 1.806) 5.831 10.736 ( -7.497 -9.074 9.705) 15.256 10.875 ( -8.564 -6.172 -1.868) 10.721 11.006 ( 2.248 -3.274 -16.552) 17.021 11.203 ( -4.404 6.066 0.274) 7.501 11.351 ( -8.398 5.216 -9.992) 14.056 11.623 ( -9.585 16.353 7.889) 20.531 12.098 ( 2.533 4.525 -4.910) 7.141 12.188 ( 2.351 7.467 0.998) 7.892 12.543 ( -6.684 2.295 5.553) 8.988 13.091 ( -3.801 -0.812 2.080) 4.409 13.514 ( 1.324 -7.756 -5.225) 9.445 13.792 ( -4.110 1.160 4.016) 5.862 14.391 ( 6.421 7.903 0.055) 10.183 14.693 ( -0.724 3.682 4.681) 6.000 15.158 ( -3.075 2.528 -1.999) 4.454 15.286 ( -8.563 3.794 2.600) 9.720 15.373 ( 2.434 0.363 0.318) 2.481 16.232 ( 1.185 -8.196 -2.799) 8.742 16.421 ( 3.744 -7.045 3.437) 8.687 16.525 ( -4.219 0.465 -0.395) 4.263 17.386 ( 2.053 -4.448 -8.557) 9.860 17.515 ( -2.538 -1.048 -0.731) 2.841 18.058 ( 1.109 -0.901 1.865) 2.349 18.364 ( -2.859 -4.435 0.945) 5.361 18.637 ( -2.150 3.006 -1.510) 3.993 18.707 ( 3.370 -2.038 -3.747) 5.436 18.987 ( -0.547 -1.146 0.980) 1.604 19.150 ( -1.810 2.399 2.016) 3.619 26.275 ( -2.575 1.413 -5.498) 6.234 26.631 ( -2.625 -2.898 3.176) 5.037 26.955 ( 4.944 -2.688 -0.909) 5.701 27.230 ( 6.436 -7.556 5.890) 11.541 28.517 ( -0.018 3.148 -0.575) 3.200 28.711 ( 2.575 2.743 -1.749) 4.149 29.187 ( 10.277 -10.461 10.620) 18.106 29.593 ( 0.296 0.901 15.882) 15.911 31.243 ( 2.789 5.292 4.074) 7.238 31.317 ( -0.474 3.482 -1.650) 3.882 31.731 ( 6.660 -3.659 -18.558) 20.054 31.809 ( -8.542 -2.810 0.781) 9.026 32.110 ( -3.380 12.888 -0.313) 13.327 32.322 ( 2.587 5.785 8.399) 10.521 33.258 ( -11.959 15.934 -29.523) 35.617 33.797 ( -6.421 -7.334 8.415) 12.877 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.38 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 20.742 12.897 8.658) 25.914 2.604 ( 28.958 25.311 -4.911) 38.773 3.321 ( 8.727 4.721 -0.809) 9.955 3.812 ( 5.097 23.064 3.571) 23.889 3.916 ( 2.463 -1.909 0.467) 3.152 4.548 ( -7.864 2.174 -3.656) 8.941 4.566 ( -2.506 4.025 -11.738) 12.659 4.894 ( 2.393 20.574 2.738) 20.893 5.082 ( -6.259 -2.895 11.904) 13.757 5.358 ( 10.331 -1.430 -5.152) 11.632 5.561 ( 4.054 11.533 -13.664) 18.335 6.080 ( 6.037 -3.178 2.308) 7.202 6.134 ( 3.968 -4.556 1.480) 6.221 6.369 ( 0.395 5.474 3.188) 6.347 6.676 ( 2.969 -9.248 -0.631) 9.734 6.855 ( -10.478 -8.041 8.115) 15.502 7.090 ( 0.990 1.842 1.411) 2.523 7.382 ( 10.236 -10.929 1.550) 15.054 7.586 ( 0.821 -10.755 -2.226) 11.013 7.692 ( -7.216 -13.402 5.376) 16.143 8.138 ( 0.469 -2.741 3.339) 4.345 8.264 ( 5.582 -11.692 -0.545) 12.968 8.543 ( 2.576 -2.530 -12.034) 12.563 8.640 ( 11.682 -3.208 -2.096) 12.295 8.716 ( 1.890 6.062 4.857) 7.994 8.883 ( 14.391 5.232 3.163) 15.635 9.153 ( 12.969 -4.384 5.113) 14.614 9.249 ( 2.024 -1.708 11.204) 11.513 9.466 ( -5.708 -6.655 -11.937) 14.811 9.594 ( -2.804 4.884 -4.234) 7.046 9.662 ( -3.596 3.069 -8.766) 9.959 10.039 ( -6.267 3.068 4.556) 8.333 10.267 ( 0.986 -3.439 -0.607) 3.629 10.317 ( -7.839 -6.543 1.811) 10.371 10.576 ( -7.758 -7.700 6.370) 12.651 10.713 ( -6.892 -8.801 0.730) 11.202 11.024 ( -1.067 -3.678 -13.834) 14.355 11.039 ( -8.502 6.799 -2.238) 11.114 11.231 ( -3.055 3.478 0.105) 4.631 11.479 ( -3.577 12.715 5.508) 14.311 12.189 ( 4.599 5.722 -7.415) 10.435 12.212 ( 0.066 3.667 2.042) 4.198 12.399 ( -6.050 6.129 6.065) 10.533 13.011 ( -3.100 -1.003 0.769) 3.348 13.494 ( -1.907 -4.079 -2.478) 5.140 13.752 ( -0.706 -0.648 2.198) 2.398 14.544 ( 7.522 4.431 0.273) 8.734 14.663 ( -1.106 5.403 3.108) 6.331 15.042 ( -8.587 1.996 -0.003) 8.816 15.127 ( -4.369 4.253 -1.518) 6.283 15.505 ( 7.891 1.467 2.888) 8.530 16.207 ( -2.378 -6.632 -2.393) 7.441 16.427 ( -3.843 1.289 -0.562) 4.093 16.500 ( 2.542 -6.300 2.560) 7.260 17.423 ( 1.327 -4.319 -4.738) 6.547 17.457 ( -2.342 -0.788 -0.966) 2.653 18.075 ( 0.471 -0.807 1.347) 1.639 18.330 ( -0.746 -4.316 0.479) 4.406 18.624 ( 0.274 0.386 -0.178) 0.506 18.792 ( 4.450 -3.008 -4.240) 6.843 18.954 ( -2.618 -2.456 3.289) 4.868 19.117 ( -1.206 1.932 0.164) 2.283 26.245 ( -0.499 1.888 -2.979) 3.562 26.583 ( -1.690 -1.739 1.437) 2.819 27.023 ( 1.826 -1.530 -1.154) 2.647 27.323 ( 2.680 -4.849 2.695) 6.161 28.516 ( -0.051 3.176 -0.355) 3.196 28.760 ( 1.802 2.663 -1.381) 3.500 29.365 ( 6.562 -6.414 7.046) 11.569 29.573 ( -2.008 2.947 6.231) 7.179 31.272 ( 0.157 1.402 0.029) 1.411 31.359 ( 3.998 5.433 2.027) 7.044 31.627 ( -7.571 0.627 1.737) 7.793 31.771 ( -1.730 5.538 -11.818) 13.166 32.153 ( 5.867 3.243 -0.263) 6.708 32.343 ( -0.930 8.792 5.950) 10.656 33.092 ( -4.127 4.176 -16.074) 17.113 33.669 ( -5.271 -6.741 6.301) 10.627 ======================= Grid point 13 (10/126) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 0.000 12.298 -0.000) 12.298 2.986 ( -0.000 30.162 0.000) 30.162 3.470 ( 0.000 10.289 -0.000) 10.289 3.776 ( -0.000 -20.754 0.000) 20.754 3.865 ( 0.000 17.490 0.000) 17.490 4.350 ( 0.000 5.243 -0.000) 5.243 4.618 ( 0.000 3.301 0.000) 3.301 4.996 ( 0.000 31.990 0.000) 31.990 4.998 ( -0.000 -2.602 -0.000) 2.602 5.465 ( 0.000 0.443 0.000) 0.443 5.652 ( 0.000 13.823 0.000) 13.823 6.127 ( 0.000 -1.779 -0.000) 1.779 6.192 ( -0.000 -8.287 0.000) 8.287 6.374 ( 0.000 2.736 -0.000) 2.736 6.715 ( -0.000 -6.208 0.000) 6.208 6.722 ( 0.000 -11.457 -0.000) 11.457 7.102 ( 0.000 -0.877 -0.000) 0.877 7.506 ( -0.000 -17.840 -0.000) 17.840 7.574 ( 0.000 -11.842 0.000) 11.842 7.627 ( -0.000 -5.074 0.000) 5.074 8.140 ( 0.000 1.248 0.000) 1.248 8.330 ( -0.000 -14.860 -0.000) 14.860 8.538 ( 0.000 -4.682 0.000) 4.682 8.723 ( 0.000 2.809 0.000) 2.809 8.759 ( -0.000 0.052 -0.000) 0.052 9.095 ( -0.000 10.156 -0.000) 10.156 9.251 ( 0.000 -9.870 0.000) 9.870 9.278 ( 0.000 -6.838 -0.000) 6.838 9.461 ( 0.000 0.183 -0.000) 0.183 9.561 ( 0.000 -1.228 0.000) 1.228 9.753 ( 0.000 4.648 -0.000) 4.648 9.854 ( -0.000 5.971 0.000) 5.971 10.202 ( 0.000 -5.125 0.000) 5.125 10.360 ( -0.000 2.068 0.000) 2.068 10.406 ( 0.000 -11.369 -0.000) 11.369 10.627 ( 0.000 -8.622 0.000) 8.622 10.934 ( 0.000 7.236 0.000) 7.236 10.998 ( 0.000 -4.241 0.000) 4.241 11.210 ( 0.000 2.527 0.000) 2.527 11.447 ( 0.000 9.796 -0.000) 9.796 12.190 ( 0.000 0.174 0.000) 0.174 12.293 ( -0.000 8.806 0.000) 8.806 12.298 ( 0.000 7.523 -0.000) 7.523 12.977 ( 0.000 -1.517 0.000) 1.517 13.469 ( 0.000 -3.428 0.000) 3.428 13.746 ( 0.000 -0.294 -0.000) 0.294 14.631 ( -0.000 5.262 0.000) 5.262 14.682 ( 0.000 3.128 -0.000) 3.128 14.906 ( 0.000 4.250 -0.000) 4.250 15.083 ( 0.000 2.991 0.000) 2.991 15.610 ( 0.000 2.738 0.000) 2.738 16.170 ( 0.000 -8.631 0.000) 8.631 16.382 ( 0.000 2.717 0.000) 2.717 16.528 ( 0.000 -6.247 0.000) 6.247 17.424 ( 0.000 -0.314 0.000) 0.314 17.444 ( 0.000 -4.455 -0.000) 4.455 18.080 ( 0.000 -0.751 0.000) 0.751 18.323 ( 0.000 -4.179 0.000) 4.179 18.630 ( 0.000 0.025 -0.000) 0.025 18.879 ( -0.000 2.444 0.000) 2.444 18.887 ( 0.000 -8.520 -0.000) 8.520 19.104 ( 0.000 1.679 -0.000) 1.679 26.241 ( 0.000 2.084 -0.000) 2.084 26.565 ( 0.000 -1.472 0.000) 1.472 27.041 ( 0.000 -1.207 0.000) 1.207 27.351 ( 0.000 -4.131 0.000) 4.131 28.515 ( 0.000 3.191 0.000) 3.191 28.780 ( 0.000 2.617 -0.000) 2.617 29.452 ( 0.000 -5.305 -0.000) 5.305 29.536 ( 0.000 3.597 0.000) 3.597 31.274 ( 0.000 -0.367 0.000) 0.367 31.429 ( 0.000 7.512 0.000) 7.512 31.522 ( -0.000 0.143 -0.000) 0.143 31.740 ( 0.000 7.895 -0.000) 7.895 32.261 ( 0.000 1.550 0.000) 1.550 32.297 ( 0.000 9.610 -0.000) 9.610 33.051 ( 0.000 0.703 0.000) 0.703 33.608 ( 0.000 -6.449 -0.000) 6.449 ======================= Grid point 18 (11/126) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 36.967 0.000) 36.967 1.932 ( 0.000 48.774 0.000) 48.774 3.002 ( 0.000 61.505 0.000) 61.505 3.348 ( 0.000 13.559 0.000) 13.559 4.066 ( 0.000 3.325 0.000) 3.325 4.160 ( 0.000 7.187 0.000) 7.187 4.492 ( 0.000 -2.774 0.000) 2.774 4.718 ( 0.000 7.672 0.000) 7.672 5.270 ( 0.000 -1.522 0.000) 1.522 5.591 ( 0.000 -9.384 0.000) 9.384 5.733 ( 0.000 -4.881 0.000) 4.881 5.986 ( 0.000 -8.709 0.000) 8.709 6.218 ( 0.000 13.178 0.000) 13.178 6.261 ( 0.000 -9.272 0.000) 9.272 6.507 ( 0.000 3.378 0.000) 3.378 6.663 ( 0.000 9.769 0.000) 9.769 7.040 ( 0.000 11.877 0.000) 11.877 7.318 ( 0.000 -5.920 0.000) 5.920 7.349 ( 0.000 -15.985 0.000) 15.985 7.363 ( 0.000 -13.100 0.000) 13.100 7.670 ( 0.000 -16.027 0.000) 16.027 7.696 ( 0.000 -10.966 0.000) 10.966 7.918 ( 0.000 -2.102 0.000) 2.102 8.458 ( 0.000 2.154 0.000) 2.154 8.483 ( 0.000 0.105 0.000) 0.105 8.747 ( 0.000 8.898 0.000) 8.898 8.799 ( 0.000 -1.062 0.000) 1.062 9.332 ( 0.000 12.442 0.000) 12.442 9.425 ( 0.000 -6.394 0.000) 6.394 9.829 ( 0.000 -6.054 0.000) 6.054 9.835 ( 0.000 -15.829 0.000) 15.829 10.129 ( 0.000 -4.816 0.000) 4.816 10.287 ( 0.000 -0.206 0.000) 0.206 10.363 ( 0.000 -1.012 0.000) 1.012 10.752 ( 0.000 -9.110 0.000) 9.110 10.951 ( 0.000 -2.286 0.000) 2.286 11.187 ( 0.000 -0.733 0.000) 0.733 11.239 ( 0.000 -4.784 0.000) 4.784 11.487 ( 0.000 -11.635 0.000) 11.635 12.131 ( 0.000 -0.760 0.000) 0.760 12.180 ( 0.000 -12.118 0.000) 12.118 12.310 ( 0.000 7.454 0.000) 7.454 12.757 ( 0.000 6.565 0.000) 6.565 12.864 ( 0.000 10.013 0.000) 10.013 13.458 ( 0.000 3.419 0.000) 3.419 14.198 ( 0.000 0.124 0.000) 0.124 14.590 ( 0.000 2.093 0.000) 2.093 14.640 ( 0.000 4.244 0.000) 4.244 15.225 ( 0.000 -0.187 0.000) 0.187 15.403 ( 0.000 7.323 0.000) 7.323 15.514 ( 0.000 -5.796 0.000) 5.796 15.684 ( 0.000 5.123 0.000) 5.123 16.420 ( 0.000 1.367 0.000) 1.367 16.482 ( 0.000 -6.944 0.000) 6.944 17.331 ( 0.000 -0.106 0.000) 0.106 17.513 ( 0.000 -2.955 0.000) 2.955 18.014 ( 0.000 -0.926 0.000) 0.926 18.245 ( 0.000 -11.789 0.000) 11.789 18.608 ( 0.000 -1.852 0.000) 1.852 18.964 ( 0.000 -0.407 0.000) 0.407 19.068 ( 0.000 -2.213 0.000) 2.213 19.440 ( 0.000 -0.032 0.000) 0.032 26.268 ( 0.000 0.434 0.000) 0.434 26.488 ( 0.000 2.666 0.000) 2.666 26.683 ( 0.000 -3.865 0.000) 3.865 26.823 ( 0.000 -0.439 0.000) 0.439 28.597 ( 0.000 5.118 0.000) 5.118 28.657 ( 0.000 3.457 0.000) 3.457 28.710 ( 0.000 3.758 0.000) 3.758 29.406 ( 0.000 -4.976 0.000) 4.976 31.305 ( 0.000 8.243 0.000) 8.243 31.398 ( 0.000 5.553 0.000) 5.553 31.445 ( 0.000 0.410 0.000) 0.410 32.125 ( 0.000 7.154 0.000) 7.154 32.128 ( 0.000 -2.820 0.000) 2.820 32.694 ( 0.000 18.637 0.000) 18.637 33.670 ( 0.000 -13.048 0.000) 13.048 34.339 ( 0.000 -4.735 0.000) 4.735 ======================= Grid point 19 (12/126) ======================= q-point: ( 0.12 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 23.866 29.724 2.970) 38.235 2.130 ( 17.423 43.193 0.998) 46.585 3.145 ( 10.952 40.326 -3.535) 41.936 3.451 ( 13.101 31.139 -3.415) 33.955 4.075 ( 3.435 4.401 -7.506) 9.355 4.319 ( 10.455 8.345 12.346) 18.204 4.578 ( 8.438 -2.286 3.504) 9.418 4.801 ( 6.997 6.587 -13.504) 16.574 5.263 ( -1.263 -1.181 -0.426) 1.781 5.462 ( -10.105 -8.707 4.390) 14.043 5.704 ( -3.568 -1.172 0.900) 3.861 6.037 ( 3.016 -4.410 1.221) 5.481 6.153 ( -6.869 9.756 7.354) 14.015 6.234 ( -2.598 -5.689 2.392) 6.696 6.493 ( 4.933 2.620 -1.151) 5.702 6.751 ( 6.486 4.078 -5.748) 9.578 7.022 ( -3.024 2.806 -3.716) 5.552 7.199 ( -5.030 -9.974 -9.893) 14.921 7.398 ( 2.490 -6.586 -1.510) 7.201 7.443 ( 2.854 -17.332 9.627) 20.031 7.743 ( 7.371 -11.981 8.472) 16.421 7.795 ( 7.363 -11.257 4.070) 14.053 7.961 ( 3.672 -3.003 6.581) 8.112 8.401 ( -1.227 -0.789 -8.883) 9.002 8.550 ( 3.933 1.143 0.808) 4.175 8.765 ( 1.624 7.118 -3.868) 8.262 8.846 ( 3.645 -0.413 5.337) 6.476 9.291 ( -2.900 1.699 -0.140) 3.364 9.476 ( 2.430 -0.903 -3.536) 4.384 9.709 ( -4.916 -9.306 -4.663) 11.512 9.923 ( 0.470 -5.558 -0.818) 5.637 10.011 ( -5.180 -6.138 3.617) 8.809 10.303 ( -0.752 -2.479 -3.334) 4.222 10.398 ( 1.360 -2.685 1.256) 3.261 10.693 ( -4.475 -7.975 7.766) 11.997 10.914 ( -3.262 -3.787 -4.846) 6.962 11.069 ( -11.756 -4.187 -3.553) 12.975 11.241 ( 3.336 0.006 -3.639) 4.936 11.458 ( -3.308 -8.065 -6.465) 10.853 12.038 ( -1.973 4.786 7.413) 9.041 12.243 ( 0.294 0.385 -1.841) 1.904 12.358 ( -1.308 6.434 -2.047) 6.877 12.634 ( -3.732 2.819 2.029) 5.098 12.998 ( 6.715 2.321 0.691) 7.138 13.438 ( -1.447 2.942 0.292) 3.291 14.032 ( -12.435 1.352 8.499) 15.123 14.502 ( 0.101 9.175 2.596) 9.536 14.744 ( 2.937 3.122 -5.076) 6.643 15.244 ( -0.052 0.165 -1.265) 1.277 15.388 ( -1.651 4.934 1.197) 5.339 15.531 ( -3.381 1.506 3.529) 5.114 15.779 ( 11.815 -7.970 -4.363) 14.905 16.351 ( -4.009 -3.048 -1.549) 5.269 16.529 ( 1.834 -2.826 1.114) 3.548 17.326 ( -0.317 -0.377 -0.639) 0.807 17.509 ( -0.501 -2.711 -0.667) 2.836 18.020 ( 0.576 -0.995 1.029) 1.543 18.235 ( -0.911 -11.180 0.573) 11.232 18.608 ( 0.208 -2.170 0.524) 2.242 18.920 ( -6.761 -0.685 -3.650) 7.714 19.024 ( -2.360 3.009 -1.550) 4.126 19.270 ( -8.856 2.570 0.779) 9.254 26.377 ( -2.478 0.243 -3.830) 4.568 26.484 ( 7.985 -5.053 6.119) 11.257 26.746 ( 4.774 -2.583 0.335) 5.438 26.918 ( 8.068 -2.873 1.481) 8.691 28.598 ( 0.042 5.115 -0.524) 5.141 28.727 ( 1.959 3.523 1.616) 4.343 28.795 ( 10.767 -0.615 2.716) 11.121 29.467 ( 4.966 -4.962 3.510) 7.849 31.326 ( 1.951 8.216 2.553) 8.822 31.408 ( -1.391 2.683 -0.654) 3.092 31.494 ( 6.695 1.331 -11.373) 13.264 31.985 ( -7.001 2.308 4.532) 8.653 32.266 ( 6.720 2.650 1.989) 7.492 32.605 ( -7.507 19.188 -2.537) 20.760 33.648 ( -2.400 -11.614 5.305) 12.992 34.045 ( -22.629 4.373 -12.024) 25.996 ======================= Grid point 20 (13/126) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 23.986 22.570 5.032) 33.317 2.577 ( 23.262 33.668 0.573) 40.926 3.361 ( 10.239 20.008 0.298) 22.478 3.916 ( 23.814 37.767 -11.615) 46.134 4.193 ( 6.036 11.197 -1.378) 12.795 4.497 ( 5.441 6.928 2.724) 9.221 4.800 ( 7.400 3.836 6.108) 10.334 4.973 ( 10.950 2.218 -15.164) 18.835 5.204 ( -4.108 -2.029 4.097) 6.147 5.226 ( -9.413 1.864 8.433) 12.775 5.663 ( 2.542 6.671 -8.267) 10.922 5.983 ( -5.199 3.023 9.141) 10.942 6.073 ( 0.602 2.727 0.158) 2.797 6.280 ( 4.041 -11.482 -3.529) 12.674 6.612 ( 3.967 6.245 -1.529) 7.554 6.886 ( -5.227 -13.636 -3.780) 15.085 6.905 ( 4.109 -3.849 -1.507) 5.828 7.184 ( 1.567 -1.619 -0.277) 2.270 7.338 ( -5.069 -12.675 8.483) 16.072 7.473 ( -1.353 -17.691 7.758) 19.364 7.875 ( 4.939 -8.325 6.503) 11.661 8.031 ( 5.710 -9.698 6.796) 13.147 8.132 ( 19.176 -4.562 -1.798) 19.793 8.435 ( 4.136 -2.546 -12.363) 13.283 8.667 ( 7.767 0.229 1.207) 7.863 8.798 ( 1.225 4.235 -3.287) 5.499 8.945 ( 6.001 0.487 8.918) 10.761 9.211 ( -4.629 -6.602 0.194) 8.065 9.461 ( -3.456 -2.714 -4.497) 6.288 9.636 ( -2.924 -8.863 -6.038) 11.116 9.809 ( -5.680 0.850 -6.377) 8.583 10.033 ( 2.843 -5.209 6.642) 8.906 10.265 ( -2.712 0.856 -0.345) 2.865 10.364 ( -4.045 -3.662 -0.893) 5.529 10.560 ( -7.981 -9.138 6.553) 13.790 10.767 ( -10.676 -5.016 1.692) 11.916 10.927 ( -0.562 -4.305 -12.614) 13.340 11.283 ( -0.263 2.329 -2.711) 3.584 11.350 ( -6.077 -3.064 -5.226) 8.581 11.944 ( -10.804 11.667 9.166) 18.354 12.218 ( 2.861 6.524 -7.697) 10.488 12.320 ( -1.308 5.505 3.923) 6.885 12.597 ( -1.832 3.351 3.167) 4.961 13.065 ( -1.023 -0.115 1.247) 1.617 13.424 ( 0.230 -1.055 -0.605) 1.238 13.819 ( -6.708 1.534 4.430) 8.184 14.558 ( 4.001 8.606 1.796) 9.659 14.768 ( 0.035 3.639 0.237) 3.647 15.226 ( -2.825 4.165 -1.428) 5.231 15.374 ( -1.918 4.467 4.322) 6.505 15.395 ( -3.140 2.751 -1.734) 4.520 16.027 ( 8.163 -11.572 -4.212) 14.774 16.284 ( -1.516 -6.575 0.381) 6.758 16.533 ( -1.465 0.037 1.149) 1.862 17.325 ( 0.495 -1.688 -2.201) 2.818 17.485 ( -1.794 -1.942 -0.760) 2.751 18.037 ( 0.906 -1.283 1.741) 2.345 18.214 ( -0.868 -9.314 0.801) 9.388 18.622 ( 0.886 -2.540 0.784) 2.802 18.745 ( -5.713 2.484 -6.433) 8.955 18.995 ( -1.400 2.182 1.365) 2.930 19.165 ( -2.698 -0.918 0.511) 2.896 26.313 ( -1.891 2.348 -4.790) 5.660 26.563 ( -0.138 -3.791 4.189) 5.652 26.887 ( 6.522 -3.931 -0.226) 7.618 27.090 ( 7.120 -6.263 2.769) 9.879 28.598 ( 0.022 5.157 -0.608) 5.193 28.776 ( 2.509 3.647 -0.488) 4.454 29.042 ( 11.225 -4.621 6.396) 13.721 29.569 ( 3.618 -3.147 4.399) 6.507 31.354 ( -2.013 3.708 0.648) 4.269 31.393 ( 2.915 6.047 1.667) 6.917 31.658 ( 6.135 -2.275 -14.412) 15.828 31.855 ( -3.331 5.805 2.802) 7.256 32.405 ( 5.350 4.400 6.384) 9.420 32.430 ( -7.068 18.558 -0.786) 19.874 33.519 ( -15.026 7.043 -11.280) 20.066 33.616 ( -10.076 -8.367 2.571) 13.346 ======================= Grid point 21 (14/126) ======================= q-point: ( 0.38 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 17.118 15.316 3.342) 23.211 3.092 ( 25.049 23.367 -1.170) 34.276 3.592 ( 10.874 22.235 -2.429) 24.871 4.058 ( -12.367 18.735 3.836) 22.774 4.296 ( 4.619 23.528 1.869) 24.050 4.587 ( 1.593 2.425 -6.520) 7.136 4.706 ( -9.491 9.553 -2.499) 13.696 5.070 ( -5.653 1.611 12.274) 13.608 5.263 ( 8.730 9.935 0.770) 13.248 5.376 ( 22.405 11.673 -9.031) 26.829 5.810 ( 9.051 12.082 -17.074) 22.791 5.940 ( 1.091 -8.451 6.369) 10.638 6.109 ( 1.875 0.562 -1.788) 2.651 6.353 ( 2.500 -10.303 -2.387) 10.867 6.603 ( -3.929 4.808 1.892) 6.491 6.693 ( -9.545 -8.020 4.103) 13.125 7.061 ( 3.466 -19.923 5.061) 20.846 7.100 ( -2.526 -0.431 2.810) 3.803 7.371 ( -0.372 -14.960 3.702) 15.416 7.407 ( 1.033 -12.915 -0.029) 12.956 7.983 ( 4.882 -8.643 6.204) 11.706 8.089 ( 0.570 -8.483 3.450) 9.176 8.432 ( 4.080 -10.825 -3.628) 12.124 8.585 ( 9.728 -1.747 -5.715) 11.417 8.798 ( -1.428 0.704 -0.416) 1.645 8.891 ( 11.086 -6.359 4.550) 13.566 9.073 ( 1.100 -3.361 -0.474) 3.568 9.199 ( 10.582 -2.404 5.713) 12.264 9.363 ( -5.143 -4.315 -4.831) 8.271 9.596 ( 0.951 -4.292 -4.895) 6.579 9.699 ( -4.852 -0.243 -8.916) 10.153 10.091 ( 1.642 1.907 8.295) 8.668 10.190 ( -4.657 -2.787 0.021) 5.427 10.241 ( -6.392 -2.121 -2.062) 7.044 10.432 ( -3.408 -5.717 1.678) 6.864 10.557 ( -8.255 -5.449 3.686) 10.556 10.918 ( -1.356 -6.557 -11.965) 13.711 11.180 ( -7.007 6.465 -4.045) 10.356 11.266 ( -2.709 -0.187 2.316) 3.569 11.715 ( -8.020 9.797 6.142) 14.073 12.255 ( -4.077 1.558 2.546) 5.053 12.346 ( 7.058 8.682 -6.285) 12.833 12.554 ( -2.362 8.757 4.264) 10.022 13.001 ( -3.471 1.006 0.693) 3.680 13.418 ( -1.055 -3.301 -0.486) 3.499 13.745 ( -1.128 -0.045 1.391) 1.792 14.649 ( 4.668 5.991 1.479) 7.738 14.781 ( 1.096 6.220 0.571) 6.341 15.106 ( -7.229 4.531 -0.300) 8.537 15.224 ( -5.768 5.499 -0.725) 8.002 15.544 ( 9.659 2.397 2.860) 10.355 16.053 ( -4.108 -8.200 -4.738) 10.323 16.322 ( 3.671 -9.623 0.807) 10.331 16.484 ( -2.660 2.337 1.764) 3.956 17.345 ( 1.160 -3.136 -2.346) 4.085 17.441 ( -2.011 -0.964 -0.389) 2.264 18.053 ( 0.484 -1.464 1.395) 2.079 18.205 ( -0.080 -7.856 0.452) 7.869 18.627 ( -0.059 -0.289 0.234) 0.377 18.711 ( 1.097 -4.275 -4.177) 6.077 18.958 ( -1.787 1.972 2.678) 3.775 19.120 ( -1.696 -1.604 -0.681) 2.431 26.295 ( -0.044 3.159 -2.566) 4.070 26.544 ( -1.009 -2.090 1.690) 2.871 26.982 ( 2.624 -2.633 -0.765) 3.795 27.204 ( 3.549 -7.024 1.944) 8.106 28.598 ( -0.003 5.258 -0.370) 5.271 28.823 ( 1.709 3.569 -0.593) 4.001 29.246 ( 7.543 -5.526 5.077) 10.640 29.606 ( -0.001 0.023 1.789) 1.789 31.308 ( -1.733 2.085 -1.441) 3.071 31.469 ( 3.517 4.858 5.535) 8.162 31.641 ( -3.928 1.693 -4.533) 6.233 31.914 ( 4.490 9.107 -8.581) 13.294 32.319 ( -1.558 13.031 1.872) 13.256 32.508 ( 2.677 8.460 8.505) 12.291 33.198 ( -11.186 6.349 -13.621) 18.734 33.490 ( -4.604 -11.416 5.715) 13.571 ======================= Grid point 22 (15/126) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 0.000 11.722 -0.000) 11.722 3.538 ( 0.000 -0.212 -0.000) 0.212 3.704 ( -0.000 41.141 0.000) 41.141 3.755 ( -0.000 19.565 0.000) 19.565 4.339 ( 0.000 27.192 -0.000) 27.192 4.481 ( -0.000 7.993 0.000) 7.993 4.697 ( -0.000 4.404 0.000) 4.404 4.990 ( 0.000 2.089 -0.000) 2.089 5.366 ( 0.000 5.746 0.000) 5.746 5.684 ( -0.000 22.957 0.000) 22.957 5.918 ( 0.000 -0.892 -0.000) 0.892 6.020 ( -0.000 3.940 0.000) 3.940 6.094 ( -0.000 -0.676 -0.000) 0.676 6.369 ( 0.000 -9.196 -0.000) 9.196 6.535 ( 0.000 -1.992 -0.000) 1.992 6.575 ( -0.000 -7.337 0.000) 7.337 7.014 ( 0.000 -12.037 -0.000) 12.037 7.164 ( 0.000 -12.349 0.000) 12.349 7.297 ( 0.000 -15.827 0.000) 15.827 7.484 ( -0.000 -9.724 0.000) 9.724 8.047 ( 0.000 -8.749 0.000) 8.749 8.084 ( -0.000 -9.741 -0.000) 9.741 8.453 ( 0.000 -7.509 -0.000) 7.509 8.709 ( 0.000 -3.826 0.000) 3.826 8.749 ( -0.000 -1.294 -0.000) 1.294 8.972 ( 0.000 -17.686 -0.000) 17.686 9.174 ( -0.000 -3.678 -0.000) 3.678 9.221 ( 0.000 2.467 0.000) 2.467 9.457 ( 0.000 -1.170 -0.000) 1.170 9.512 ( 0.000 -5.909 -0.000) 5.909 9.801 ( -0.000 0.628 0.000) 0.628 9.956 ( 0.000 3.088 -0.000) 3.088 10.136 ( 0.000 -1.498 0.000) 1.498 10.219 ( -0.000 -6.706 0.000) 6.706 10.399 ( 0.000 2.315 -0.000) 2.315 10.455 ( 0.000 -6.194 0.000) 6.194 10.885 ( 0.000 -6.974 -0.000) 6.974 11.090 ( 0.000 8.424 0.000) 8.424 11.234 ( 0.000 -0.477 0.000) 0.477 11.635 ( 0.000 7.935 -0.000) 7.935 12.201 ( 0.000 0.807 0.000) 0.807 12.473 ( -0.000 8.161 0.000) 8.161 12.485 ( 0.000 11.342 -0.000) 11.342 12.960 ( 0.000 0.843 0.000) 0.843 13.401 ( -0.000 -3.383 0.000) 3.383 13.738 ( 0.000 -0.497 -0.000) 0.497 14.751 ( -0.000 6.726 0.000) 6.726 14.759 ( 0.000 4.594 -0.000) 4.594 15.012 ( 0.000 6.367 -0.000) 6.367 15.157 ( 0.000 4.452 0.000) 4.452 15.688 ( 0.000 5.238 0.000) 5.238 15.970 ( -0.000 -10.925 -0.000) 10.925 16.370 ( 0.000 -9.533 0.000) 9.533 16.448 ( 0.000 3.573 -0.000) 3.573 17.360 ( 0.000 -3.636 0.000) 3.636 17.416 ( 0.000 -0.422 -0.000) 0.422 18.058 ( 0.000 -1.499 0.000) 1.499 18.205 ( 0.000 -7.411 0.000) 7.411 18.629 ( 0.000 0.016 -0.000) 0.016 18.728 ( 0.000 -7.264 0.000) 7.264 18.937 ( 0.000 2.928 0.000) 2.928 19.100 ( 0.000 -1.914 -0.000) 1.914 26.296 ( 0.000 3.488 -0.000) 3.488 26.533 ( 0.000 -1.697 0.000) 1.697 27.008 ( 0.000 -2.129 0.000) 2.129 27.242 ( 0.000 -6.944 0.000) 6.944 28.598 ( 0.000 5.310 0.000) 5.310 28.841 ( 0.000 3.507 0.000) 3.507 29.335 ( 0.000 -6.132 -0.000) 6.132 29.597 ( 0.000 1.903 0.000) 1.903 31.289 ( 0.000 1.630 -0.000) 1.630 31.518 ( 0.000 -0.603 0.000) 0.603 31.587 ( -0.000 8.518 -0.000) 8.518 31.953 ( 0.000 13.582 -0.000) 13.582 32.330 ( -0.000 6.009 0.000) 6.009 32.525 ( 0.000 13.165 0.000) 13.165 33.077 ( -0.000 2.180 -0.000) 2.180 33.436 ( 0.000 -11.016 -0.000) 11.016 ======================= Grid point 27 (16/126) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 37.391 0.000) 37.391 2.835 ( 0.000 45.273 0.000) 45.273 3.376 ( 0.000 8.143 0.000) 8.143 4.114 ( 0.000 0.927 0.000) 0.927 4.182 ( 0.000 28.816 0.000) 28.816 4.275 ( 0.000 7.898 0.000) 7.898 4.672 ( 0.000 28.530 0.000) 28.530 4.807 ( 0.000 2.791 0.000) 2.791 5.166 ( 0.000 -8.641 0.000) 8.641 5.540 ( 0.000 3.679 0.000) 3.679 5.616 ( 0.000 -5.902 0.000) 5.902 5.837 ( 0.000 -5.541 0.000) 5.541 6.006 ( 0.000 -15.921 0.000) 15.921 6.433 ( 0.000 3.922 0.000) 3.922 6.583 ( 0.000 6.061 0.000) 6.061 6.641 ( 0.000 -11.555 0.000) 11.555 6.953 ( 0.000 -16.513 0.000) 16.513 7.080 ( 0.000 -14.565 0.000) 14.565 7.337 ( 0.000 0.596 0.000) 0.596 7.351 ( 0.000 13.822 0.000) 13.822 7.482 ( 0.000 0.211 0.000) 0.211 7.537 ( 0.000 -6.073 0.000) 6.073 7.873 ( 0.000 -2.822 0.000) 2.822 8.459 ( 0.000 -1.861 0.000) 1.861 8.512 ( 0.000 4.043 0.000) 4.043 8.724 ( 0.000 -6.084 0.000) 6.084 8.884 ( 0.000 3.825 0.000) 3.825 9.266 ( 0.000 -7.271 0.000) 7.271 9.480 ( 0.000 2.521 0.000) 2.521 9.518 ( 0.000 -15.255 0.000) 15.255 9.751 ( 0.000 -2.194 0.000) 2.194 10.018 ( 0.000 -7.437 0.000) 7.437 10.252 ( 0.000 -2.611 0.000) 2.611 10.374 ( 0.000 0.039 0.000) 0.039 10.642 ( 0.000 -2.212 0.000) 2.212 10.906 ( 0.000 -2.114 0.000) 2.114 11.114 ( 0.000 -7.672 0.000) 7.672 11.139 ( 0.000 -4.279 0.000) 4.279 11.279 ( 0.000 -8.193 0.000) 8.193 11.914 ( 0.000 -12.496 0.000) 12.496 12.127 ( 0.000 0.592 0.000) 0.592 12.477 ( 0.000 6.256 0.000) 6.256 12.899 ( 0.000 8.158 0.000) 8.158 13.083 ( 0.000 12.444 0.000) 12.444 13.500 ( 0.000 0.668 0.000) 0.668 14.135 ( 0.000 -6.258 0.000) 6.258 14.649 ( 0.000 3.728 0.000) 3.728 14.722 ( 0.000 3.969 0.000) 3.969 15.223 ( 0.000 0.159 0.000) 0.159 15.406 ( 0.000 -4.799 0.000) 4.799 15.561 ( 0.000 8.465 0.000) 8.465 15.794 ( 0.000 5.922 0.000) 5.922 16.347 ( 0.000 -6.503 0.000) 6.503 16.433 ( 0.000 -0.164 0.000) 0.164 17.333 ( 0.000 0.468 0.000) 0.468 17.454 ( 0.000 -2.979 0.000) 2.979 17.990 ( 0.000 -1.624 0.000) 1.624 18.049 ( 0.000 -8.411 0.000) 8.411 18.577 ( 0.000 -1.152 0.000) 1.152 18.933 ( 0.000 -3.899 0.000) 3.899 19.033 ( 0.000 0.112 0.000) 0.112 19.423 ( 0.000 -1.900 0.000) 1.900 26.285 ( 0.000 1.450 0.000) 1.450 26.546 ( 0.000 3.294 0.000) 3.294 26.604 ( 0.000 -4.228 0.000) 4.228 26.807 ( 0.000 -1.173 0.000) 1.173 28.703 ( 0.000 5.794 0.000) 5.794 28.720 ( 0.000 2.994 0.000) 2.994 28.775 ( 0.000 2.829 0.000) 2.829 29.297 ( 0.000 -6.283 0.000) 6.283 31.455 ( 0.000 6.722 0.000) 6.722 31.456 ( 0.000 0.996 0.000) 0.996 31.521 ( 0.000 6.932 0.000) 6.932 32.071 ( 0.000 -3.043 0.000) 3.043 32.305 ( 0.000 11.003 0.000) 11.003 33.054 ( 0.000 18.526 0.000) 18.526 33.402 ( 0.000 -14.324 0.000) 14.324 34.232 ( 0.000 -6.486 0.000) 6.486 ======================= Grid point 28 (17/126) ======================= q-point: ( 0.12 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 16.952 33.280 0.686) 37.355 2.953 ( 10.524 41.756 0.964) 43.072 3.491 ( 10.291 13.312 -0.584) 16.836 4.150 ( 4.999 5.040 -5.777) 9.152 4.295 ( 10.052 25.434 -0.839) 27.361 4.413 ( 10.606 2.896 5.185) 12.156 4.764 ( 8.315 25.456 2.992) 26.947 4.861 ( 4.856 1.948 -6.223) 8.130 5.145 ( -1.993 -7.410 1.109) 7.753 5.464 ( -5.640 4.940 -0.387) 7.508 5.638 ( 2.507 -3.365 -1.903) 4.608 5.941 ( 7.523 -2.905 -5.072) 9.527 6.014 ( 1.469 -14.080 1.107) 14.200 6.433 ( -10.646 10.350 15.193) 21.243 6.479 ( 3.409 -2.264 0.156) 4.095 6.675 ( 0.896 -10.761 -7.203) 12.980 6.958 ( -3.887 -12.985 4.017) 14.137 7.003 ( -1.091 -8.519 -10.898) 13.875 7.264 ( -5.234 1.624 7.049) 8.929 7.403 ( -3.264 4.031 -2.606) 5.805 7.515 ( 10.996 -9.728 4.725) 15.423 7.659 ( 7.892 -3.264 0.092) 8.541 7.922 ( 3.826 -1.774 8.179) 9.202 8.383 ( -3.165 -0.369 -10.149) 10.638 8.547 ( 1.367 -1.826 3.403) 4.097 8.751 ( 1.533 -6.357 -0.496) 6.558 8.906 ( 2.199 3.979 -0.202) 4.551 9.195 ( -5.306 -5.960 -0.007) 7.980 9.477 ( -3.240 -7.791 -5.389) 10.012 9.491 ( -0.168 -5.151 0.475) 5.176 9.813 ( 3.235 -4.381 0.644) 5.484 9.954 ( -3.699 -2.685 3.429) 5.714 10.234 ( -0.310 -4.460 -2.879) 5.317 10.388 ( 0.678 0.020 -0.646) 0.936 10.582 ( -5.941 -2.804 5.231) 8.398 10.845 ( -5.792 -3.110 -0.973) 6.646 10.976 ( -7.544 -4.737 -2.862) 9.356 11.207 ( 4.699 -3.784 -4.534) 7.546 11.320 ( 0.351 -5.407 0.043) 5.419 11.975 ( 4.083 -12.051 1.376) 12.798 12.175 ( 4.250 0.222 -4.626) 6.286 12.486 ( -0.203 4.843 3.312) 5.871 12.782 ( -7.360 10.190 1.350) 12.643 13.138 ( 2.600 10.361 0.429) 10.691 13.478 ( -2.043 0.533 0.687) 2.220 14.017 ( -9.155 -3.064 7.227) 12.059 14.647 ( 1.362 5.924 2.117) 6.436 14.786 ( 2.880 1.487 -4.416) 5.478 15.248 ( 1.971 0.561 -1.679) 2.649 15.451 ( 2.415 -2.836 -3.893) 5.388 15.548 ( -0.655 5.538 4.574) 7.212 15.762 ( -1.552 3.630 -1.370) 4.179 16.276 ( -4.443 -3.934 -1.860) 6.219 16.483 ( 2.516 -2.313 1.482) 3.726 17.328 ( -0.516 0.534 0.730) 1.042 17.455 ( -0.075 -2.793 -0.480) 2.834 17.994 ( 0.434 -1.691 0.778) 1.912 18.047 ( -0.086 -8.130 0.525) 8.147 18.577 ( 0.192 -0.892 0.586) 1.084 18.888 ( -4.355 -2.447 -1.610) 5.248 19.041 ( 0.485 -0.260 -0.771) 0.948 19.298 ( -9.365 0.314 -0.633) 9.391 26.364 ( 3.850 -0.702 1.805) 4.310 26.457 ( -1.728 0.498 -2.594) 3.157 26.704 ( 4.751 -1.635 1.553) 5.259 26.869 ( 5.461 -2.440 0.439) 5.998 28.704 ( 0.066 5.754 -0.733) 5.801 28.783 ( 3.333 2.238 5.368) 6.703 28.816 ( 5.740 2.111 -3.112) 6.862 29.356 ( 5.129 -6.497 0.804) 8.316 31.437 ( -1.446 1.204 -2.999) 3.540 31.472 ( 1.237 6.013 3.479) 7.056 31.570 ( 4.413 5.888 -5.227) 9.026 32.019 ( -3.627 0.824 3.053) 4.812 32.371 ( 5.350 8.275 0.396) 9.862 32.973 ( -6.885 18.664 -4.311) 20.355 33.393 ( -1.262 -13.749 7.416) 15.672 34.058 ( -14.992 -2.354 -5.628) 16.186 ======================= Grid point 29 (18/126) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 17.339 26.719 0.970) 31.866 3.234 ( 14.827 34.262 3.053) 37.457 3.761 ( 13.923 21.077 -3.401) 25.488 4.333 ( 11.841 7.267 -7.603) 15.837 4.512 ( 6.529 13.853 1.969) 15.440 4.639 ( 8.632 7.245 1.875) 11.425 4.900 ( 1.374 0.737 6.915) 7.088 5.072 ( 9.161 2.031 -2.988) 9.848 5.147 ( 10.976 14.503 -2.016) 18.300 5.358 ( -2.278 6.321 -1.286) 6.840 5.739 ( 7.126 1.295 -7.069) 10.121 6.038 ( 2.590 -12.490 -7.895) 15.001 6.095 ( 1.049 6.233 2.904) 6.956 6.193 ( -8.615 10.297 9.433) 16.408 6.559 ( 2.778 -11.753 -1.489) 12.169 6.680 ( 0.799 -6.595 -6.129) 9.038 6.817 ( -6.030 -6.466 1.471) 8.963 7.070 ( 4.849 -8.688 -1.673) 10.090 7.158 ( -5.341 -8.198 11.131) 14.821 7.268 ( -8.148 -0.750 4.808) 9.490 7.756 ( 7.551 -7.643 6.637) 12.628 7.844 ( 9.350 -6.319 -3.255) 11.745 8.029 ( 6.724 -5.379 7.641) 11.512 8.386 ( 4.128 -2.049 -8.650) 9.801 8.594 ( 3.544 -9.534 0.533) 10.185 8.752 ( -1.709 -8.463 -2.634) 9.027 8.987 ( 5.683 3.419 0.120) 6.633 9.082 ( -4.618 -4.522 1.580) 6.654 9.385 ( -5.235 -5.152 -5.140) 8.965 9.476 ( -0.140 -4.763 0.750) 4.824 9.752 ( -5.692 -6.177 -6.423) 10.574 10.006 ( 5.072 0.498 7.026) 8.679 10.243 ( 0.369 -4.567 -2.883) 5.414 10.383 ( -6.834 5.405 0.195) 8.715 10.399 ( -4.466 -6.680 1.952) 8.269 10.689 ( -8.748 -2.740 3.303) 9.744 10.862 ( -3.118 -2.282 -5.374) 6.619 11.258 ( -1.293 -4.290 1.862) 4.852 11.311 ( 0.435 -0.778 -7.396) 7.449 11.982 ( -5.219 -7.214 2.124) 9.153 12.298 ( 7.313 2.143 -6.594) 10.077 12.408 ( -6.586 3.661 5.656) 9.422 12.704 ( -0.026 8.364 3.220) 8.963 13.151 ( -1.545 8.514 0.370) 8.661 13.422 ( -2.935 -0.577 0.862) 3.113 13.835 ( -6.936 -0.343 3.974) 8.001 14.697 ( 2.691 5.726 2.712) 6.883 14.822 ( 1.740 2.021 -2.112) 3.402 15.299 ( 0.930 3.231 -1.882) 3.853 15.445 ( -0.168 3.270 -2.454) 4.092 15.479 ( -6.214 4.751 4.133) 8.847 15.839 ( 7.603 -7.162 -3.209) 10.927 16.190 ( -3.446 -2.836 -0.843) 4.542 16.515 ( 0.431 -2.073 0.967) 2.327 17.315 ( -0.550 0.369 0.632) 0.915 17.445 ( -0.873 -2.089 -0.578) 2.336 18.007 ( 0.669 -1.879 1.490) 2.489 18.050 ( 0.442 -7.260 0.672) 7.304 18.591 ( 1.173 -0.504 0.658) 1.436 18.763 ( -6.328 0.224 -3.595) 7.281 19.037 ( -1.224 0.722 -0.607) 1.546 19.131 ( -5.325 -1.663 0.362) 5.590 26.359 ( -0.834 2.378 -3.548) 4.352 26.500 ( 1.655 -2.568 3.291) 4.490 26.821 ( 6.136 -2.754 0.045) 6.726 26.989 ( 5.048 -4.527 1.013) 6.856 28.706 ( 0.192 5.951 -0.765) 6.003 28.840 ( 2.528 2.929 1.266) 4.071 28.990 ( 9.061 -1.233 2.042) 9.370 29.479 ( 5.522 -6.128 1.030) 8.313 31.395 ( -2.337 1.589 -2.264) 3.621 31.502 ( 1.054 3.387 4.731) 5.913 31.673 ( 4.247 4.175 -7.581) 9.640 31.982 ( 1.668 6.557 -0.502) 6.785 32.504 ( 6.663 6.380 3.907) 10.018 32.800 ( -8.555 19.165 -2.025) 21.085 33.341 ( -3.788 -13.365 7.950) 16.006 33.678 ( -18.933 3.454 -8.920) 21.212 ======================= Grid point 30 (19/126) ======================= q-point: ( 0.38 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 9.893 19.077 0.317) 21.492 3.550 ( 14.230 24.819 3.705) 28.848 4.040 ( 11.587 22.725 -6.460) 26.314 4.525 ( -3.394 24.601 2.297) 24.940 4.608 ( 12.947 9.162 -7.761) 17.658 4.696 ( -2.496 9.797 -0.115) 10.111 4.846 ( -5.803 3.846 6.541) 9.552 5.102 ( -0.828 0.917 9.317) 9.398 5.411 ( 7.839 9.024 -1.564) 12.055 5.610 ( 18.002 1.806 -5.452) 18.896 5.899 ( 2.167 2.113 -1.813) 3.528 5.962 ( 2.311 10.220 -1.332) 10.562 6.066 ( -0.170 -6.913 -8.666) 11.087 6.224 ( 5.519 0.341 -6.113) 8.243 6.559 ( -1.876 -9.440 -2.450) 9.932 6.629 ( -8.816 -3.373 9.202) 13.182 6.768 ( 1.023 -5.665 1.504) 5.950 7.051 ( -3.935 -11.383 6.750) 13.807 7.112 ( -5.680 -2.607 3.356) 7.093 7.192 ( 6.207 -9.760 -1.435) 11.656 7.857 ( 2.910 -5.915 6.680) 9.385 7.957 ( 1.970 -4.386 2.155) 5.269 8.173 ( 4.615 -13.797 0.023) 14.548 8.527 ( 7.092 -5.003 -0.361) 8.686 8.651 ( -0.080 -17.143 0.302) 17.146 8.690 ( -3.366 -10.285 -5.151) 11.985 9.059 ( 3.627 -0.046 3.686) 5.172 9.144 ( 8.404 -2.905 -3.523) 9.564 9.275 ( -4.267 -4.536 -0.713) 6.268 9.524 ( 1.321 -3.364 0.811) 3.704 9.648 ( 0.037 -2.091 -8.382) 8.639 10.073 ( -1.130 -4.042 2.614) 4.944 10.186 ( -5.057 1.861 7.039) 8.865 10.202 ( -5.199 -2.962 -3.845) 7.112 10.403 ( 1.470 2.461 -1.305) 3.150 10.521 ( -5.874 1.066 3.891) 7.125 10.808 ( -2.648 -3.985 -7.118) 8.576 11.205 ( -2.649 -3.485 0.732) 4.438 11.297 ( -2.085 3.558 -3.507) 5.413 11.805 ( -8.516 -0.735 3.760) 9.339 12.276 ( -5.212 0.920 3.876) 6.560 12.459 ( 7.057 1.635 -6.977) 10.058 12.714 ( 0.022 8.653 4.528) 9.766 13.087 ( -3.572 7.921 0.099) 8.690 13.365 ( -2.257 -2.594 0.465) 3.470 13.742 ( -2.154 -0.635 0.967) 2.445 14.758 ( 3.651 5.117 1.576) 6.480 14.882 ( 2.880 4.111 -0.747) 5.075 15.206 ( -6.854 5.652 0.243) 8.887 15.322 ( -6.123 4.369 -0.446) 7.535 15.585 ( 9.716 1.558 1.886) 10.019 15.924 ( -1.843 -5.362 -4.678) 7.350 16.163 ( 1.599 -5.530 0.813) 5.814 16.507 ( -0.868 -0.326 0.753) 1.195 17.311 ( 0.151 -0.503 -0.031) 0.526 17.421 ( -1.133 -1.040 -0.330) 1.573 18.019 ( 0.393 -2.050 1.340) 2.480 18.063 ( 0.635 -6.305 0.398) 6.349 18.620 ( 1.226 0.003 0.378) 1.282 18.662 ( -2.846 -0.659 -2.792) 4.041 18.994 ( -2.012 1.183 1.087) 2.575 19.064 ( -1.939 -3.998 -0.752) 4.507 26.359 ( 0.570 3.380 -2.016) 3.977 26.510 ( -0.223 -1.447 1.574) 2.150 26.928 ( 3.466 -2.921 -0.368) 4.547 27.072 ( 2.690 -6.446 1.002) 7.057 28.710 ( 0.159 6.284 -0.445) 6.302 28.886 ( 1.608 2.904 0.373) 3.340 29.162 ( 6.386 -3.274 2.203) 7.507 29.564 ( 2.352 -4.431 0.369) 5.030 31.348 ( -1.832 2.038 -1.466) 3.108 31.508 ( -0.460 -0.271 4.112) 4.146 31.729 ( 1.697 6.968 -3.699) 8.069 32.100 ( 8.019 9.475 -6.620) 14.068 32.579 ( -4.392 11.607 5.115) 13.423 32.694 ( 3.251 12.296 4.109) 13.366 33.252 ( -4.355 -12.042 3.720) 13.335 33.314 ( -13.873 4.558 -8.133) 16.715 ======================= Grid point 31 (20/126) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.000 14.219 -0.000) 14.219 3.741 ( 0.000 17.620 -0.000) 17.620 4.172 ( -0.000 23.204 0.000) 23.204 4.475 ( 0.000 36.143 0.000) 36.143 4.652 ( -0.000 10.208 -0.000) 10.208 4.744 ( 0.000 6.255 0.000) 6.255 4.783 ( -0.000 11.093 0.000) 11.093 5.070 ( 0.000 5.716 -0.000) 5.716 5.558 ( 0.000 16.106 -0.000) 16.106 5.662 ( -0.000 -14.905 0.000) 14.905 5.964 ( 0.000 5.374 -0.000) 5.374 6.024 ( -0.000 -16.919 -0.000) 16.919 6.172 ( 0.000 6.438 -0.000) 6.438 6.308 ( -0.000 1.003 0.000) 1.003 6.485 ( -0.000 -0.559 0.000) 0.559 6.496 ( 0.000 -2.615 -0.000) 2.615 6.765 ( -0.000 -4.543 0.000) 4.543 6.999 ( 0.000 -14.752 -0.000) 14.752 7.064 ( 0.000 -2.134 0.000) 2.134 7.274 ( -0.000 -11.480 0.000) 11.480 7.891 ( 0.000 -7.107 -0.000) 7.107 7.971 ( -0.000 -2.259 -0.000) 2.259 8.217 ( -0.000 -14.028 0.000) 14.028 8.618 ( 0.000 -12.600 -0.000) 12.600 8.626 ( 0.000 -17.917 0.000) 17.917 8.634 ( -0.000 -4.696 -0.000) 4.696 9.127 ( -0.000 -1.876 0.000) 1.876 9.215 ( 0.000 -2.406 -0.000) 2.406 9.338 ( -0.000 -9.477 -0.000) 9.477 9.397 ( 0.000 -4.821 0.000) 4.821 9.818 ( -0.000 1.847 0.000) 1.847 9.940 ( 0.000 -3.142 -0.000) 3.142 10.125 ( 0.000 -0.599 0.000) 0.599 10.170 ( -0.000 -0.208 -0.000) 0.208 10.437 ( -0.000 3.269 0.000) 3.269 10.451 ( 0.000 2.920 -0.000) 2.920 10.765 ( 0.000 -4.391 -0.000) 4.391 11.173 ( 0.000 -3.262 0.000) 3.262 11.260 ( 0.000 6.748 -0.000) 6.748 11.710 ( 0.000 -0.294 -0.000) 0.294 12.215 ( 0.000 0.543 0.000) 0.543 12.547 ( -0.000 -1.020 0.000) 1.020 12.708 ( 0.000 11.425 -0.000) 11.425 13.041 ( 0.000 7.514 0.000) 7.514 13.339 ( -0.000 -3.073 0.000) 3.073 13.724 ( 0.000 -1.238 0.000) 1.238 14.848 ( -0.000 4.526 0.000) 4.526 14.873 ( 0.000 5.720 -0.000) 5.720 15.133 ( 0.000 5.908 -0.000) 5.908 15.240 ( -0.000 3.962 0.000) 3.962 15.789 ( 0.000 -7.353 0.000) 7.353 15.797 ( -0.000 5.371 -0.000) 5.371 16.195 ( 0.000 -7.657 0.000) 7.657 16.494 ( 0.000 0.825 -0.000) 0.825 17.314 ( 0.000 -1.102 0.000) 1.102 17.408 ( 0.000 -0.495 -0.000) 0.495 18.024 ( 0.000 -2.033 0.000) 2.033 18.071 ( 0.000 -5.999 -0.000) 5.999 18.634 ( -0.000 0.549 0.000) 0.549 18.635 ( 0.000 -2.123 -0.000) 2.123 18.973 ( 0.000 0.623 0.000) 0.623 19.040 ( 0.000 -4.023 -0.000) 4.023 26.368 ( 0.000 3.778 -0.000) 3.778 26.506 ( 0.000 -1.052 0.000) 1.052 26.963 ( 0.000 -2.469 0.000) 2.469 27.101 ( -0.000 -7.298 -0.000) 7.298 28.712 ( 0.000 6.437 0.000) 6.437 28.904 ( 0.000 2.842 0.000) 2.842 29.234 ( 0.000 -4.182 -0.000) 4.182 29.586 ( 0.000 -3.257 0.000) 3.257 31.327 ( 0.000 2.180 -0.000) 2.180 31.500 ( 0.000 -1.227 0.000) 1.227 31.748 ( 0.000 8.416 -0.000) 8.416 32.218 ( 0.000 12.778 -0.000) 12.778 32.488 ( -0.000 9.962 0.000) 9.962 32.770 ( 0.000 11.740 0.000) 11.740 33.133 ( -0.000 3.410 -0.000) 3.410 33.210 ( -0.000 -11.794 0.000) 11.794 ======================= Grid point 36 (21/126) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.000 36.283 0.000) 36.283 3.521 ( 0.000 7.007 0.000) 7.007 3.648 ( 0.000 39.033 0.000) 39.033 4.076 ( 0.000 -4.972 0.000) 4.972 4.306 ( 0.000 -4.918 0.000) 4.918 4.572 ( 0.000 21.824 0.000) 21.824 4.881 ( 0.000 5.893 0.000) 5.893 5.032 ( 0.000 -3.687 0.000) 3.687 5.092 ( 0.000 3.010 0.000) 3.010 5.406 ( 0.000 -17.503 0.000) 17.503 5.651 ( 0.000 6.513 0.000) 6.513 5.675 ( 0.000 -13.935 0.000) 13.935 6.133 ( 0.000 32.040 0.000) 32.040 6.358 ( 0.000 -15.408 0.000) 15.408 6.371 ( 0.000 -11.480 0.000) 11.480 6.492 ( 0.000 -13.862 0.000) 13.862 6.674 ( 0.000 -9.956 0.000) 9.956 7.004 ( 0.000 6.429 0.000) 6.429 7.284 ( 0.000 -1.406 0.000) 1.406 7.422 ( 0.000 -6.903 0.000) 6.903 7.497 ( 0.000 -1.750 0.000) 1.750 7.695 ( 0.000 17.972 0.000) 17.972 7.802 ( 0.000 -5.420 0.000) 5.420 8.395 ( 0.000 -4.698 0.000) 4.698 8.599 ( 0.000 -4.001 0.000) 4.001 8.688 ( 0.000 12.511 0.000) 12.511 8.853 ( 0.000 -5.704 0.000) 5.704 9.214 ( 0.000 0.113 0.000) 0.113 9.303 ( 0.000 -6.311 0.000) 6.311 9.457 ( 0.000 -3.527 0.000) 3.527 9.713 ( 0.000 -2.509 0.000) 2.509 9.857 ( 0.000 -8.783 0.000) 8.783 10.214 ( 0.000 -1.298 0.000) 1.298 10.310 ( 0.000 -6.126 0.000) 6.126 10.648 ( 0.000 2.121 0.000) 2.121 10.867 ( 0.000 -2.540 0.000) 2.540 10.976 ( 0.000 -5.970 0.000) 5.970 11.033 ( 0.000 -6.210 0.000) 6.210 11.227 ( 0.000 3.026 0.000) 3.026 11.710 ( 0.000 -9.352 0.000) 9.352 12.160 ( 0.000 3.018 0.000) 3.018 12.507 ( 0.000 -3.033 0.000) 3.033 13.069 ( 0.000 9.328 0.000) 9.328 13.326 ( 0.000 12.460 0.000) 12.460 13.479 ( 0.000 -2.592 0.000) 2.592 13.983 ( 0.000 -9.170 0.000) 9.170 14.717 ( 0.000 3.132 0.000) 3.132 14.779 ( 0.000 1.763 0.000) 1.763 15.235 ( 0.000 1.062 0.000) 1.062 15.333 ( 0.000 -2.865 0.000) 2.865 15.714 ( 0.000 7.151 0.000) 7.151 15.888 ( 0.000 3.098 0.000) 3.098 16.261 ( 0.000 -1.900 0.000) 1.900 16.412 ( 0.000 -2.104 0.000) 2.104 17.348 ( 0.000 0.965 0.000) 0.965 17.406 ( 0.000 -1.990 0.000) 1.990 17.928 ( 0.000 -4.133 0.000) 4.133 17.952 ( 0.000 -2.253 0.000) 2.253 18.572 ( 0.000 0.812 0.000) 0.812 18.826 ( 0.000 -6.507 0.000) 6.507 19.075 ( 0.000 3.768 0.000) 3.768 19.365 ( 0.000 -4.078 0.000) 4.078 26.323 ( 0.000 2.467 0.000) 2.467 26.524 ( 0.000 -4.163 0.000) 4.163 26.612 ( 0.000 3.465 0.000) 3.465 26.777 ( 0.000 -1.939 0.000) 1.939 28.770 ( 0.000 2.241 0.000) 2.241 28.814 ( 0.000 1.224 0.000) 1.224 28.815 ( 0.000 5.866 0.000) 5.866 29.172 ( 0.000 -6.642 0.000) 6.642 31.482 ( 0.000 1.698 0.000) 1.698 31.543 ( 0.000 2.300 0.000) 2.300 31.661 ( 0.000 7.614 0.000) 7.614 32.011 ( 0.000 -3.429 0.000) 3.429 32.524 ( 0.000 11.438 0.000) 11.438 33.142 ( 0.000 -12.453 0.000) 12.453 33.390 ( 0.000 16.287 0.000) 16.287 34.089 ( 0.000 -8.452 0.000) 8.452 ======================= Grid point 37 (22/126) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 12.734 34.546 -0.571) 36.823 3.623 ( 8.678 18.758 -3.581) 20.976 3.796 ( 13.054 26.887 1.662) 29.934 4.176 ( 9.429 -3.516 -1.763) 10.217 4.414 ( 8.737 -5.282 -0.810) 10.242 4.625 ( 5.367 19.998 3.377) 20.980 4.891 ( 0.675 4.182 2.753) 5.052 5.007 ( -0.371 -1.016 -3.046) 3.233 5.162 ( 4.799 1.722 -0.430) 5.117 5.434 ( 1.572 -14.252 0.324) 14.342 5.622 ( 3.223 0.455 -4.891) 5.875 5.759 ( 3.046 -8.542 8.193) 12.222 6.193 ( 5.085 25.865 -8.070) 27.567 6.322 ( -1.935 -10.130 8.867) 13.601 6.432 ( 4.313 -10.299 -11.180) 15.801 6.481 ( -1.009 -10.232 1.736) 10.427 6.683 ( 0.024 -10.519 4.145) 11.306 6.981 ( -1.699 5.736 -1.323) 6.127 7.238 ( -4.443 -5.287 2.514) 7.350 7.438 ( -4.427 -1.840 -5.905) 7.606 7.478 ( 1.330 1.870 10.396) 10.647 7.648 ( 2.511 4.139 -1.254) 5.001 7.889 ( 4.485 -1.768 5.529) 7.335 8.360 ( -1.474 -4.661 -1.590) 5.140 8.513 ( -9.401 0.289 -5.672) 10.983 8.635 ( -1.004 -4.545 0.304) 4.664 8.935 ( 4.567 1.854 -0.833) 4.999 9.163 ( -4.329 1.582 1.272) 4.782 9.331 ( 2.881 -4.488 -4.638) 7.068 9.423 ( -3.412 -4.546 1.242) 5.819 9.717 ( -1.379 -4.993 -2.625) 5.807 9.885 ( 3.471 -5.098 3.844) 7.267 10.176 ( -1.962 -1.368 1.825) 3.009 10.309 ( -0.512 -7.018 0.416) 7.049 10.614 ( -3.195 4.619 -0.772) 5.669 10.803 ( -6.309 -1.365 2.518) 6.929 10.907 ( -3.391 -2.432 -1.028) 4.298 11.099 ( 5.150 -7.168 -4.863) 10.077 11.276 ( 1.621 1.228 1.757) 2.688 11.735 ( 2.386 -11.639 -1.081) 11.930 12.210 ( 4.433 2.805 -2.600) 5.855 12.504 ( -0.860 -2.772 3.496) 4.544 12.988 ( -5.868 10.843 1.048) 12.373 13.354 ( 1.285 11.508 -0.242) 11.582 13.449 ( -2.729 -3.360 0.956) 4.433 13.919 ( -5.310 -6.771 2.986) 9.108 14.733 ( 1.611 3.262 1.483) 3.929 14.805 ( 1.663 0.471 -2.117) 2.733 15.268 ( 3.085 1.512 -2.350) 4.163 15.379 ( 4.378 -3.236 -3.719) 6.593 15.678 ( -3.310 6.554 2.583) 7.783 15.831 ( -4.797 2.468 0.311) 5.404 16.232 ( -2.127 -0.058 -0.926) 2.321 16.431 ( 1.329 -3.228 1.224) 3.699 17.344 ( -0.405 1.033 0.766) 1.348 17.408 ( 0.181 -1.953 -0.216) 1.973 17.930 ( 0.285 -3.988 0.405) 4.019 17.956 ( 0.359 -2.282 0.645) 2.398 18.578 ( 0.681 1.136 0.126) 1.331 18.817 ( -1.139 -4.992 -1.170) 5.252 19.055 ( -1.724 2.285 -0.030) 2.862 19.278 ( -7.261 -2.406 -0.509) 7.666 26.367 ( 3.084 0.927 1.635) 3.611 26.460 ( -2.491 -0.626 -3.233) 4.129 26.693 ( 4.488 0.569 1.676) 4.825 26.822 ( 3.944 -2.580 0.119) 4.715 28.806 ( 0.259 4.230 -1.537) 4.508 28.817 ( 3.505 1.435 3.702) 5.296 28.863 ( 3.994 3.283 -1.328) 5.337 29.224 ( 4.645 -7.138 0.053) 8.516 31.464 ( -1.503 1.653 -1.378) 2.625 31.541 ( -0.388 1.276 2.690) 3.003 31.702 ( 3.617 7.518 -2.660) 8.756 32.016 ( 0.900 -1.263 -0.284) 1.577 32.556 ( 2.903 10.210 0.659) 10.635 33.128 ( -1.233 -11.079 -1.867) 11.302 33.325 ( -6.042 15.332 4.315) 17.035 33.973 ( -10.401 -6.306 -2.696) 12.459 ======================= Grid point 38 (23/126) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 12.404 31.142 -1.624) 33.560 3.836 ( 9.854 26.280 1.303) 28.097 4.099 ( 13.846 13.183 -2.599) 19.293 4.459 ( 15.539 4.036 -6.058) 17.159 4.610 ( 10.826 -0.691 -4.082) 11.590 4.815 ( 9.635 11.423 9.818) 17.881 4.909 ( 2.477 4.984 3.230) 6.435 5.037 ( 1.592 0.813 0.530) 1.864 5.266 ( 5.879 -4.391 -3.324) 8.055 5.478 ( 3.258 -4.367 2.247) 5.893 5.759 ( 7.372 -5.465 -10.615) 14.031 5.823 ( 4.063 -1.535 5.264) 6.824 6.249 ( -2.577 -6.232 9.685) 11.802 6.324 ( 2.918 11.570 -11.166) 16.342 6.439 ( -2.781 -1.742 4.249) 5.369 6.532 ( 3.585 -6.156 -3.632) 7.996 6.660 ( -0.268 -4.510 0.134) 4.520 6.970 ( 0.912 0.886 -2.046) 2.409 7.103 ( -7.860 -1.997 7.202) 10.846 7.247 ( -9.051 -2.234 0.096) 9.323 7.597 ( 6.373 -4.279 4.462) 8.879 7.776 ( 7.785 -3.205 -1.360) 8.528 7.966 ( 2.484 -1.248 7.558) 8.053 8.313 ( -6.500 -15.274 -0.487) 16.607 8.384 ( 2.424 -0.141 -3.241) 4.049 8.594 ( -2.599 -6.472 -4.298) 8.192 9.009 ( 1.367 0.312 -1.563) 2.100 9.080 ( -1.265 2.725 -0.647) 3.073 9.301 ( -5.425 -3.749 -3.790) 7.606 9.428 ( 3.303 -2.870 2.546) 5.063 9.651 ( -2.908 -1.824 -5.182) 6.216 9.980 ( 4.060 -3.913 4.422) 7.166 10.155 ( -1.153 -3.587 -0.016) 3.768 10.269 ( -3.250 -5.878 1.685) 6.925 10.531 ( -3.593 8.041 -0.557) 8.825 10.668 ( -6.032 0.416 4.783) 7.709 10.839 ( -2.850 -0.109 -1.815) 3.381 11.169 ( 0.139 -5.680 0.207) 5.686 11.296 ( 1.681 0.377 -5.055) 5.341 11.771 ( -0.180 -12.595 -2.036) 12.760 12.322 ( 5.458 0.788 -3.244) 6.398 12.438 ( -5.871 -0.672 5.989) 8.414 12.893 ( -2.131 10.550 1.938) 10.937 13.340 ( -3.116 8.970 -0.397) 9.504 13.379 ( -3.197 -2.713 1.083) 4.331 13.797 ( -5.515 -3.674 1.738) 6.851 14.779 ( 2.385 3.050 2.373) 4.541 14.846 ( 3.058 0.545 -1.739) 3.560 15.352 ( 3.564 2.440 -2.907) 5.206 15.463 ( 1.130 -1.135 -4.049) 4.354 15.580 ( -5.132 5.381 3.661) 8.288 15.757 ( 0.385 -2.126 -0.701) 2.272 16.185 ( -2.222 2.247 -0.456) 3.193 16.455 ( 0.829 -4.059 0.726) 4.206 17.332 ( -0.683 1.230 1.115) 1.795 17.409 ( -0.179 -1.644 -0.271) 1.676 17.945 ( 1.048 -3.594 0.622) 3.795 17.967 ( 0.696 -2.261 1.155) 2.632 18.602 ( 1.466 1.530 0.007) 2.119 18.764 ( -3.796 -0.647 -2.062) 4.368 19.014 ( -1.939 -1.475 -0.363) 2.463 19.115 ( -7.089 -0.940 0.124) 7.152 26.398 ( 0.468 1.640 -1.808) 2.486 26.465 ( 1.766 -1.264 1.103) 2.436 26.789 ( 4.716 -0.500 0.296) 4.752 26.911 ( 3.717 -3.741 0.495) 5.297 28.817 ( 0.729 5.271 -1.123) 5.438 28.885 ( 2.684 1.667 2.768) 4.200 28.988 ( 7.015 1.214 -0.331) 7.127 29.343 ( 5.839 -7.815 0.075) 9.755 31.425 ( -1.993 1.652 -1.269) 2.883 31.521 ( -1.543 -0.599 3.937) 4.271 31.795 ( 4.739 7.686 -4.125) 9.927 32.075 ( 5.314 2.500 -3.146) 6.663 32.642 ( 5.022 7.632 2.778) 9.549 33.095 ( -1.733 -8.813 -0.928) 9.029 33.149 ( -10.145 13.969 5.815) 18.217 33.689 ( -15.178 -2.107 -4.695) 16.027 ======================= Grid point 39 (24/126) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 4.683 27.131 -1.424) 27.569 4.006 ( 6.918 21.603 3.513) 22.954 4.384 ( 12.425 11.085 -7.889) 18.425 4.746 ( 9.468 1.737 -7.985) 12.507 4.826 ( 2.774 4.605 7.960) 9.606 4.872 ( 5.641 10.853 2.834) 12.556 4.980 ( -1.619 8.251 -1.405) 8.525 5.141 ( 8.585 9.764 4.676) 13.817 5.412 ( 5.929 -7.582 -1.690) 9.773 5.577 ( 6.277 -4.277 1.260) 7.700 5.855 ( 2.365 -10.163 -5.115) 11.621 5.941 ( 4.024 3.028 -2.098) 5.455 6.168 ( -3.143 -4.395 0.809) 5.463 6.242 ( -7.827 7.051 6.179) 12.213 6.474 ( 3.721 1.955 -2.284) 4.784 6.551 ( 1.634 -7.800 -1.208) 8.061 6.730 ( 3.740 1.023 -5.860) 7.027 6.888 ( -8.757 -1.255 9.559) 13.024 7.044 ( 2.146 -5.917 -2.233) 6.679 7.101 ( -4.851 -1.476 0.560) 5.102 7.682 ( 1.245 -11.497 2.148) 11.762 7.931 ( 5.218 1.912 -0.880) 5.626 8.001 ( 2.831 -5.091 8.795) 10.549 8.246 ( -1.175 -20.899 -2.703) 21.106 8.455 ( 3.073 -1.573 2.976) 4.557 8.531 ( -3.044 -5.733 -7.295) 9.765 9.030 ( 3.670 -2.686 4.529) 6.419 9.097 ( -0.420 -2.466 -6.068) 6.564 9.225 ( -0.253 -0.353 -0.871) 0.973 9.416 ( -4.785 -6.433 -2.753) 8.477 9.698 ( 7.929 5.783 -0.870) 9.852 10.003 ( -3.282 -2.475 1.883) 4.522 10.114 ( -1.549 -5.511 -2.972) 6.450 10.192 ( -3.553 -2.059 6.217) 7.451 10.488 ( -0.351 5.411 0.460) 5.442 10.567 ( -3.340 3.003 3.175) 5.500 10.785 ( -2.354 1.698 -4.279) 5.170 11.130 ( -2.663 -3.957 1.527) 5.008 11.341 ( 2.183 1.276 -5.373) 5.939 11.710 ( -4.841 -8.110 -0.032) 9.446 12.291 ( -6.043 0.550 4.584) 7.605 12.420 ( 3.068 -4.278 -2.857) 5.990 12.891 ( 1.100 9.312 2.357) 9.669 13.248 ( -4.439 4.251 -0.197) 6.150 13.325 ( -1.882 1.902 0.216) 2.684 13.709 ( -2.700 -3.092 0.322) 4.118 14.843 ( 4.081 3.816 1.059) 5.686 14.934 ( 4.181 1.334 -0.759) 4.454 15.308 ( -6.444 4.678 0.546) 7.982 15.384 ( -5.647 2.060 -0.390) 6.024 15.608 ( 6.002 1.271 0.160) 6.138 15.819 ( 2.713 -5.729 -2.440) 6.792 16.147 ( -1.064 3.419 0.145) 3.584 16.467 ( 0.364 -3.719 0.045) 3.737 17.319 ( -0.461 1.164 0.817) 1.496 17.401 ( -0.462 -1.116 -0.142) 1.216 17.969 ( 1.078 -2.926 0.771) 3.212 17.982 ( 0.550 -2.257 0.728) 2.435 18.635 ( 1.480 1.487 -0.221) 2.109 18.680 ( -3.292 2.138 -1.570) 4.228 18.977 ( -1.547 -3.809 -0.498) 4.141 18.999 ( -3.730 -1.411 0.606) 4.034 26.417 ( 1.193 2.556 -1.376) 3.139 26.489 ( 0.504 -0.765 0.972) 1.335 26.879 ( 3.439 -1.853 -0.089) 3.907 26.965 ( 1.408 -4.626 0.459) 4.858 28.832 ( 0.560 6.118 -0.605) 6.173 28.931 ( 1.522 1.698 1.239) 2.595 29.124 ( 5.084 -0.487 0.416) 5.124 29.444 ( 3.382 -7.672 -0.031) 8.385 31.386 ( -1.518 1.934 -0.733) 2.566 31.488 ( -1.371 -1.465 2.893) 3.520 31.882 ( 3.232 8.846 -2.841) 9.837 32.237 ( 9.352 3.672 -6.223) 11.818 32.743 ( 2.227 6.449 5.618) 8.838 32.936 ( -7.303 7.189 8.236) 13.147 33.065 ( -1.059 -2.373 -2.609) 3.682 33.375 ( -13.453 1.110 -5.415) 14.544 ======================= Grid point 40 (25/126) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 0.000 25.160 -0.000) 25.160 4.103 ( -0.000 18.692 -0.000) 18.692 4.528 ( 0.000 10.252 0.000) 10.252 4.778 ( -0.000 1.993 -0.000) 1.993 4.863 ( 0.000 8.210 0.000) 8.210 4.963 ( -0.000 9.174 -0.000) 9.174 4.994 ( 0.000 9.284 0.000) 9.284 5.225 ( 0.000 13.119 -0.000) 13.119 5.466 ( 0.000 -0.057 0.000) 0.057 5.706 ( 0.000 -14.613 -0.000) 14.613 5.824 ( -0.000 7.609 0.000) 7.609 6.004 ( 0.000 -16.796 -0.000) 16.796 6.070 ( -0.000 3.334 0.000) 3.334 6.207 ( 0.000 1.715 -0.000) 1.715 6.504 ( -0.000 -0.735 0.000) 0.735 6.617 ( -0.000 1.129 0.000) 1.129 6.759 ( 0.000 -9.245 -0.000) 9.245 6.761 ( -0.000 3.985 0.000) 3.985 7.046 ( 0.000 -0.050 0.000) 0.050 7.071 ( 0.000 -9.008 0.000) 9.008 7.687 ( 0.000 -14.242 -0.000) 14.242 7.967 ( 0.000 -0.845 -0.000) 0.845 8.090 ( 0.000 1.220 0.000) 1.220 8.218 ( -0.000 -21.587 -0.000) 21.587 8.434 ( 0.000 -4.187 0.000) 4.187 8.538 ( -0.000 -4.353 -0.000) 4.353 9.076 ( 0.000 -3.748 -0.000) 3.748 9.117 ( 0.000 -6.552 0.000) 6.552 9.254 ( 0.000 -0.311 -0.000) 0.311 9.312 ( 0.000 -3.137 0.000) 3.137 9.875 ( -0.000 3.931 -0.000) 3.931 9.898 ( 0.000 -0.679 0.000) 0.679 10.088 ( 0.000 -3.415 0.000) 3.415 10.147 ( -0.000 -2.701 0.000) 2.701 10.503 ( -0.000 2.597 0.000) 2.597 10.521 ( 0.000 4.270 0.000) 4.270 10.753 ( 0.000 3.361 0.000) 3.361 11.094 ( 0.000 -4.091 -0.000) 4.091 11.370 ( 0.000 3.967 0.000) 3.967 11.639 ( 0.000 -6.230 -0.000) 6.230 12.222 ( 0.000 0.284 0.000) 0.284 12.453 ( 0.000 -7.672 0.000) 7.672 12.910 ( 0.000 9.469 -0.000) 9.469 13.192 ( 0.000 4.902 0.000) 4.902 13.305 ( -0.000 1.925 0.000) 1.925 13.681 ( 0.000 -3.435 0.000) 3.435 14.927 ( -0.000 3.598 0.000) 3.598 14.961 ( 0.000 3.298 -0.000) 3.298 15.231 ( 0.000 4.280 -0.000) 4.280 15.300 ( -0.000 2.136 0.000) 2.136 15.696 ( 0.000 -2.440 0.000) 2.440 15.835 ( -0.000 -2.460 -0.000) 2.460 16.139 ( 0.000 2.818 0.000) 2.818 16.471 ( 0.000 -3.213 -0.000) 3.213 17.314 ( 0.000 0.923 0.000) 0.923 17.395 ( 0.000 -0.872 0.000) 0.872 17.985 ( 0.000 -1.881 0.000) 1.881 17.986 ( -0.000 -2.904 -0.000) 2.904 18.643 ( -0.000 2.408 0.000) 2.408 18.654 ( 0.000 1.535 -0.000) 1.535 18.957 ( -0.000 -4.258 -0.000) 4.258 18.960 ( 0.000 -1.860 0.000) 1.860 26.433 ( -0.000 2.892 0.000) 2.892 26.493 ( 0.000 -0.356 0.000) 0.356 26.919 ( 0.000 -2.029 0.000) 2.029 26.977 ( -0.000 -5.300 -0.000) 5.300 28.838 ( 0.000 6.446 0.000) 6.446 28.947 ( 0.000 1.651 0.000) 1.651 29.181 ( 0.000 -1.194 -0.000) 1.194 29.480 ( 0.000 -7.340 0.000) 7.340 31.368 ( 0.000 2.116 -0.000) 2.116 31.473 ( 0.000 -1.577 0.000) 1.577 31.918 ( 0.000 9.552 -0.000) 9.552 32.383 ( 0.000 2.808 -0.000) 2.808 32.681 ( -0.000 9.479 0.000) 9.479 32.931 ( 0.000 1.824 0.000) 1.824 33.055 ( 0.000 -0.053 -0.000) 0.053 33.193 ( -0.000 2.388 -0.000) 2.388 ======================= Grid point 45 (26/126) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 0.000 27.281 0.000) 27.281 3.646 ( 0.000 4.912 0.000) 4.912 3.955 ( 0.000 -4.901 0.000) 4.901 4.095 ( 0.000 -15.773 0.000) 15.773 4.307 ( 0.000 29.124 0.000) 29.124 4.773 ( 0.000 -17.299 0.000) 17.299 5.023 ( 0.000 4.929 0.000) 4.929 5.077 ( 0.000 12.024 0.000) 12.024 5.082 ( 0.000 3.515 0.000) 3.515 5.255 ( 0.000 14.069 0.000) 14.069 5.387 ( 0.000 -16.015 0.000) 16.015 5.689 ( 0.000 -11.498 0.000) 11.498 6.011 ( 0.000 -10.489 0.000) 10.489 6.090 ( 0.000 -10.970 0.000) 10.970 6.363 ( 0.000 -2.486 0.000) 2.486 6.382 ( 0.000 -3.784 0.000) 3.784 6.909 ( 0.000 24.864 0.000) 24.864 7.135 ( 0.000 3.494 0.000) 3.494 7.283 ( 0.000 -5.329 0.000) 5.329 7.310 ( 0.000 1.335 0.000) 1.335 7.416 ( 0.000 -0.791 0.000) 0.791 7.619 ( 0.000 -13.703 0.000) 13.703 8.036 ( 0.000 16.482 0.000) 16.482 8.276 ( 0.000 -8.393 0.000) 8.393 8.575 ( 0.000 2.871 0.000) 2.871 8.707 ( 0.000 -9.134 0.000) 9.134 8.968 ( 0.000 13.926 0.000) 13.926 9.155 ( 0.000 -5.620 0.000) 5.620 9.303 ( 0.000 3.268 0.000) 3.268 9.378 ( 0.000 -4.318 0.000) 4.318 9.667 ( 0.000 -1.313 0.000) 1.313 9.706 ( 0.000 -5.863 0.000) 5.863 10.193 ( 0.000 -0.796 0.000) 0.796 10.208 ( 0.000 -3.145 0.000) 3.145 10.707 ( 0.000 3.968 0.000) 3.968 10.795 ( 0.000 -4.754 0.000) 4.754 10.907 ( 0.000 -0.960 0.000) 0.960 10.934 ( 0.000 -3.516 0.000) 3.516 11.356 ( 0.000 9.030 0.000) 9.030 11.535 ( 0.000 -9.230 0.000) 9.230 12.250 ( 0.000 6.359 0.000) 6.359 12.392 ( 0.000 -7.810 0.000) 7.810 13.241 ( 0.000 8.337 0.000) 8.337 13.379 ( 0.000 -5.842 0.000) 5.842 13.578 ( 0.000 11.767 0.000) 11.767 13.793 ( 0.000 -10.586 0.000) 10.586 14.766 ( 0.000 1.930 0.000) 1.930 14.790 ( 0.000 -0.484 0.000) 0.484 15.261 ( 0.000 1.527 0.000) 1.527 15.291 ( 0.000 -1.710 0.000) 1.710 15.829 ( 0.000 4.830 0.000) 4.830 15.896 ( 0.000 -1.960 0.000) 1.960 16.280 ( 0.000 3.307 0.000) 3.307 16.354 ( 0.000 -3.762 0.000) 3.762 17.365 ( 0.000 0.745 0.000) 0.745 17.379 ( 0.000 -0.881 0.000) 0.881 17.888 ( 0.000 -0.227 0.000) 0.227 17.909 ( 0.000 -2.014 0.000) 2.014 18.613 ( 0.000 3.535 0.000) 3.535 18.704 ( 0.000 -5.822 0.000) 5.822 19.166 ( 0.000 5.392 0.000) 5.392 19.272 ( 0.000 -5.472 0.000) 5.472 26.378 ( 0.000 3.270 0.000) 3.270 26.447 ( 0.000 -3.830 0.000) 3.830 26.676 ( 0.000 3.228 0.000) 3.228 26.733 ( 0.000 -2.673 0.000) 2.673 28.805 ( 0.000 1.414 0.000) 1.414 28.822 ( 0.000 -0.287 0.000) 0.287 28.928 ( 0.000 5.993 0.000) 5.993 29.046 ( 0.000 -6.368 0.000) 6.368 31.519 ( 0.000 2.009 0.000) 2.009 31.551 ( 0.000 -1.027 0.000) 1.027 31.806 ( 0.000 7.218 0.000) 7.218 31.928 ( 0.000 -5.386 0.000) 5.386 32.733 ( 0.000 10.303 0.000) 10.303 32.926 ( 0.000 -10.312 0.000) 10.312 33.675 ( 0.000 13.446 0.000) 13.446 33.906 ( 0.000 -10.765 0.000) 10.765 ======================= Grid point 46 (27/126) ======================= q-point: ( 0.12 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 12.311 29.219 -1.516) 31.742 3.818 ( 14.638 6.571 -2.695) 16.270 4.048 ( 8.073 -6.352 -0.465) 10.283 4.171 ( 7.344 -15.868 -1.206) 17.526 4.389 ( 7.310 24.239 -1.092) 25.340 4.780 ( 1.419 -13.186 -4.478) 13.998 5.024 ( -0.651 8.190 3.930) 9.107 5.130 ( 6.414 -1.850 -0.642) 6.706 5.179 ( 6.166 8.747 2.799) 11.062 5.259 ( 0.398 16.338 4.451) 16.938 5.444 ( 5.891 -13.939 0.248) 15.135 5.700 ( 1.903 -9.800 3.335) 10.526 6.037 ( 2.183 -10.778 2.072) 11.191 6.095 ( 1.224 -11.394 -3.622) 12.018 6.387 ( 1.977 -1.769 -1.458) 3.027 6.419 ( 2.599 -4.883 -0.821) 5.592 6.896 ( -1.282 21.120 -2.739) 21.335 7.090 ( -3.770 0.862 4.296) 5.780 7.166 ( -5.634 1.828 -2.902) 6.596 7.331 ( -4.665 -9.207 -5.958) 11.918 7.502 ( 9.203 5.408 5.890) 12.192 7.675 ( 4.337 -8.189 5.351) 10.701 7.966 ( -5.430 12.908 1.888) 14.130 8.210 ( -5.922 -10.385 3.457) 12.445 8.532 ( -5.861 1.129 -7.342) 9.462 8.572 ( -5.885 -2.788 -2.183) 6.868 9.046 ( 3.386 8.414 0.069) 9.070 9.172 ( -0.814 -2.848 2.890) 4.138 9.286 ( 0.910 0.221 -5.852) 5.927 9.335 ( -3.761 -4.079 -3.524) 6.573 9.673 ( 0.830 1.438 -0.100) 1.664 9.765 ( 4.423 -6.782 2.832) 8.578 10.165 ( -1.879 0.067 3.167) 3.684 10.196 ( -0.959 -3.731 1.878) 4.285 10.711 ( -0.305 4.970 -1.067) 5.092 10.779 ( -3.180 -1.787 2.398) 4.366 10.885 ( -1.196 0.665 -1.126) 1.772 10.957 ( 2.933 -6.642 -3.807) 8.198 11.365 ( 0.226 7.395 1.665) 7.584 11.533 ( 0.088 -9.715 0.488) 9.728 12.286 ( 3.043 5.304 -1.087) 6.211 12.405 ( 0.815 -6.579 1.479) 6.793 13.184 ( -4.592 9.411 1.016) 10.520 13.343 ( -3.355 -6.983 1.153) 7.832 13.576 ( -0.535 10.828 -0.492) 10.852 13.767 ( -2.441 -9.027 0.268) 9.355 14.779 ( 1.301 1.756 0.779) 2.320 14.803 ( 1.115 -0.701 -0.299) 1.350 15.300 ( 3.608 1.643 -2.903) 4.914 15.332 ( 3.907 -1.852 -3.334) 5.460 15.783 ( -4.213 4.283 1.538) 6.201 15.839 ( -5.013 -1.503 0.887) 5.308 16.275 ( -0.522 3.920 0.218) 3.961 16.358 ( 0.275 -4.327 0.903) 4.429 17.363 ( -0.204 0.900 0.387) 1.001 17.380 ( 0.105 -1.044 0.085) 1.052 17.892 ( 0.431 -0.184 0.429) 0.636 17.913 ( 0.395 -1.993 0.568) 2.110 18.624 ( 0.982 3.620 -0.424) 3.774 18.713 ( 0.643 -5.399 -0.856) 5.504 19.124 ( -3.757 4.448 0.101) 5.824 19.211 ( -5.301 -4.340 -0.131) 6.853 26.395 ( 1.383 1.891 0.341) 2.368 26.433 ( -0.550 -1.909 -1.393) 2.427 26.722 ( 3.510 2.262 0.739) 4.241 26.771 ( 3.266 -2.687 0.184) 4.233 28.839 ( 2.758 0.786 1.459) 3.218 28.844 ( 1.869 0.412 -0.594) 2.004 28.961 ( 3.097 6.241 -0.214) 6.970 29.088 ( 3.769 -6.972 -0.175) 7.927 31.500 ( -1.617 2.038 0.424) 2.636 31.536 ( -1.443 -1.436 1.997) 2.852 31.845 ( 3.604 7.112 -2.349) 8.311 31.961 ( 3.145 -4.602 -2.010) 5.926 32.745 ( 1.184 9.480 1.269) 9.637 32.925 ( -0.134 -9.700 1.656) 9.842 33.602 ( -6.568 13.020 -0.171) 14.584 33.820 ( -7.809 -9.660 -1.248) 12.485 ======================= Grid point 47 (28/126) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 10.184 30.756 -4.449) 32.702 4.154 ( 13.916 8.389 -2.537) 16.445 4.240 ( 9.919 -0.044 0.069) 9.920 4.389 ( 10.947 -20.084 -5.130) 23.442 4.609 ( 14.046 11.995 -3.382) 18.778 4.841 ( 3.567 -9.206 2.230) 10.122 5.055 ( 4.604 9.620 -1.887) 10.831 5.251 ( 2.046 2.406 4.351) 5.377 5.268 ( 4.206 -4.639 10.772) 12.460 5.330 ( 6.956 15.780 2.416) 17.413 5.613 ( 8.808 -5.374 -0.732) 10.344 5.809 ( 7.779 -5.189 -0.520) 9.365 6.089 ( 2.449 -6.156 4.839) 8.204 6.163 ( 4.586 -14.007 -7.900) 16.722 6.422 ( 0.674 -0.600 -0.924) 1.291 6.450 ( 0.066 -3.779 3.052) 4.858 6.848 ( -2.946 12.334 -1.737) 12.800 7.008 ( -4.163 -5.833 4.517) 8.471 7.055 ( -4.092 5.553 -4.380) 8.171 7.178 ( -8.757 -5.668 -6.242) 12.156 7.681 ( 0.278 10.226 10.268) 14.494 7.753 ( 6.770 1.216 1.048) 6.957 7.925 ( 3.836 -2.577 2.036) 5.050 8.033 ( -9.673 -12.440 3.975) 16.252 8.426 ( -1.404 3.394 -4.982) 6.189 8.499 ( -2.048 -4.105 -4.653) 6.534 9.050 ( -3.127 3.709 1.219) 5.002 9.111 ( -3.279 -0.937 -0.337) 3.427 9.256 ( -2.234 0.508 -5.013) 5.512 9.329 ( 1.094 -5.903 -7.005) 9.226 9.714 ( 3.563 6.884 1.322) 7.863 9.863 ( 4.564 -7.693 2.721) 9.349 10.125 ( -2.529 0.633 2.323) 3.492 10.173 ( -1.414 -4.028 1.692) 4.592 10.659 ( -4.543 4.220 4.711) 7.787 10.685 ( -4.509 0.627 5.544) 7.173 10.875 ( 0.246 4.920 -4.395) 6.602 11.023 ( 2.182 -8.969 -4.326) 10.195 11.365 ( 0.255 6.810 -1.551) 6.989 11.540 ( 0.284 -11.043 -1.554) 11.156 12.345 ( 1.651 1.943 -0.202) 2.558 12.396 ( -2.458 -3.002 3.385) 5.149 13.089 ( -3.487 9.630 1.298) 10.324 13.255 ( -4.283 -7.602 1.271) 8.818 13.541 ( -2.719 9.352 -0.763) 9.769 13.697 ( -3.893 -6.742 -0.153) 7.787 14.823 ( 2.826 1.655 1.229) 3.498 14.845 ( 3.266 -0.653 -0.236) 3.339 15.394 ( 4.091 1.932 -3.552) 5.752 15.430 ( 3.680 -1.895 -3.929) 5.707 15.669 ( -5.518 3.752 2.114) 7.000 15.723 ( -4.295 -2.029 0.936) 4.841 16.261 ( -0.694 5.154 0.287) 5.208 16.364 ( 0.298 -5.289 0.640) 5.336 17.357 ( -0.372 1.311 0.629) 1.500 17.382 ( -0.048 -1.290 0.131) 1.298 17.909 ( 1.201 -0.226 0.681) 1.399 17.927 ( 0.926 -1.775 0.980) 2.230 18.649 ( 1.317 3.390 -0.810) 3.726 18.721 ( -0.037 -3.582 -1.466) 3.871 19.023 ( -5.170 2.330 0.213) 5.674 19.078 ( -6.499 -2.775 0.188) 7.069 26.424 ( 1.308 1.144 -0.678) 1.865 26.444 ( 1.500 -0.990 -0.291) 1.821 26.801 ( 3.608 1.646 0.379) 3.984 26.846 ( 3.255 -2.971 0.377) 4.423 28.888 ( 2.078 1.908 -0.565) 2.877 28.903 ( 2.765 0.141 1.718) 3.258 29.054 ( 5.333 5.763 -0.294) 7.858 29.190 ( 5.309 -7.885 -0.154) 9.507 31.459 ( -2.035 1.907 0.697) 2.875 31.496 ( -2.143 -1.787 2.733) 3.905 31.945 ( 5.589 7.554 -3.974) 10.202 32.062 ( 6.390 -3.888 -4.179) 8.568 32.783 ( 2.302 7.010 3.390) 8.120 32.919 ( -0.601 -7.756 4.673) 9.075 33.418 ( -10.145 11.963 -1.375) 15.746 33.601 ( -12.054 -7.118 -2.565) 14.232 ======================= Grid point 48 (29/126) ======================= q-point: ( 0.38 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 2.849 28.907 -4.153) 29.342 4.344 ( 6.766 11.378 -1.603) 13.335 4.442 ( 6.069 -5.273 0.864) 8.086 4.611 ( 10.556 -13.635 -13.169) 21.697 4.834 ( 2.860 1.008 8.164) 8.709 4.919 ( 3.630 -5.961 3.167) 7.664 5.142 ( 1.929 10.103 0.921) 10.327 5.347 ( 4.227 -8.308 8.469) 12.594 5.395 ( 12.326 10.160 0.001) 15.973 5.539 ( 12.186 7.627 -0.805) 14.398 5.765 ( 5.106 3.840 -3.567) 7.317 5.945 ( 3.089 -3.330 0.833) 4.618 6.089 ( -4.333 -0.685 4.093) 6.000 6.214 ( -1.123 -12.817 -5.390) 13.950 6.440 ( 3.635 0.112 3.126) 4.795 6.459 ( 0.928 -2.466 0.949) 2.800 6.777 ( -4.046 5.094 -4.112) 7.696 6.887 ( -6.931 -4.465 1.496) 8.380 6.999 ( -2.017 1.095 -3.582) 4.254 7.045 ( -1.671 -3.648 -0.376) 4.030 7.582 ( -5.547 4.062 4.253) 8.085 7.788 ( -6.352 -15.037 5.557) 17.244 7.999 ( 7.928 3.694 1.244) 8.835 8.048 ( 4.787 -2.192 0.348) 5.277 8.452 ( 2.854 0.787 -3.004) 4.218 8.476 ( -1.013 -1.096 -5.100) 5.314 8.997 ( -0.347 0.039 3.078) 3.097 9.036 ( -2.923 -3.462 1.583) 4.799 9.249 ( 0.763 2.521 -5.433) 6.038 9.314 ( -1.876 -4.232 -6.228) 7.760 9.826 ( 6.353 7.029 1.374) 9.574 9.950 ( 2.832 -5.119 0.289) 5.858 10.049 ( -3.928 1.006 1.733) 4.410 10.119 ( -3.596 -4.789 3.886) 7.139 10.576 ( -2.621 3.280 4.181) 5.925 10.605 ( -2.921 0.355 4.076) 5.027 10.877 ( -0.208 7.594 -4.775) 8.973 11.031 ( -1.047 -7.121 -1.653) 7.384 11.388 ( 1.981 4.867 -3.883) 6.534 11.533 ( -1.082 -9.410 -2.281) 9.743 12.302 ( -5.155 0.892 3.567) 6.332 12.340 ( -2.043 -3.339 1.143) 4.078 13.057 ( 0.161 7.839 1.043) 7.909 13.188 ( -1.833 -5.789 0.541) 6.096 13.476 ( -2.905 8.761 -0.686) 9.255 13.620 ( -2.905 -6.148 -0.405) 6.811 14.904 ( 4.713 2.507 0.456) 5.357 14.937 ( 4.834 -0.889 -0.195) 4.919 15.377 ( -5.527 2.427 0.197) 6.040 15.402 ( -5.120 -0.185 -0.237) 5.129 15.646 ( 3.015 2.842 -0.636) 4.192 15.718 ( 2.609 -4.626 -1.177) 5.439 16.251 ( -0.197 6.474 -0.041) 6.477 16.373 ( 0.498 -5.921 -0.098) 5.943 17.348 ( -0.475 1.636 0.624) 1.814 17.377 ( -0.313 -1.397 0.199) 1.445 17.938 ( 1.257 -0.407 0.600) 1.451 17.948 ( 0.858 -1.307 0.767) 1.741 18.675 ( 1.019 2.466 -0.894) 2.814 18.708 ( -0.976 -0.194 -1.200) 1.559 18.930 ( -3.210 -0.186 0.199) 3.222 18.961 ( -4.239 -2.459 0.504) 4.926 26.455 ( 1.484 1.450 -0.660) 2.177 26.476 ( 1.167 -0.769 0.107) 1.402 26.865 ( 2.302 0.425 0.119) 2.344 26.895 ( 1.304 -2.674 0.269) 2.987 28.924 ( 1.278 3.014 -0.405) 3.299 28.949 ( 1.513 0.087 1.074) 1.857 29.159 ( 3.980 4.599 -0.079) 6.082 29.288 ( 3.526 -8.110 -0.082) 8.844 31.422 ( -1.376 1.843 0.509) 2.356 31.456 ( -1.437 -1.765 1.898) 2.963 32.060 ( 4.729 9.389 -3.530) 11.090 32.215 ( 7.441 -5.670 -5.099) 10.654 32.837 ( 2.095 3.512 5.445) 6.809 32.894 ( -1.711 -3.276 7.496) 8.358 33.218 ( -7.266 9.286 -3.489) 12.296 33.348 ( -10.763 -4.060 -3.640) 12.065 ======================= Grid point 49 (30/126) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( 0.000 28.883 0.000) 28.883 4.440 ( -0.000 16.873 0.000) 16.873 4.491 ( 0.000 -15.395 -0.000) 15.395 4.752 ( 0.000 -14.723 -0.000) 14.723 4.842 ( -0.000 4.112 0.000) 4.112 4.927 ( 0.000 -5.644 -0.000) 5.644 5.170 ( 0.000 9.860 -0.000) 9.860 5.403 ( 0.000 -14.866 0.000) 14.866 5.582 ( 0.000 21.688 0.000) 21.688 5.736 ( -0.000 17.161 -0.000) 17.161 5.869 ( -0.000 -3.478 0.000) 3.478 5.920 ( 0.000 7.462 0.000) 7.462 5.956 ( -0.000 -11.434 -0.000) 11.434 6.180 ( 0.000 -11.085 -0.000) 11.085 6.469 ( 0.000 -0.530 -0.000) 0.530 6.530 ( -0.000 -6.029 0.000) 6.029 6.701 ( 0.000 3.401 0.000) 3.401 6.799 ( -0.000 -3.383 0.000) 3.383 6.984 ( 0.000 1.051 0.000) 1.051 7.039 ( 0.000 -1.890 0.000) 1.890 7.514 ( 0.000 0.254 -0.000) 0.254 7.712 ( 0.000 -17.966 0.000) 17.966 8.088 ( 0.000 1.896 0.000) 1.896 8.118 ( -0.000 -0.272 -0.000) 0.272 8.448 ( 0.000 3.422 0.000) 3.422 8.493 ( 0.000 -1.089 -0.000) 1.089 9.007 ( 0.000 -2.333 -0.000) 2.333 9.017 ( -0.000 -3.334 0.000) 3.334 9.264 ( 0.000 0.775 -0.000) 0.775 9.278 ( -0.000 -0.884 0.000) 0.884 9.919 ( -0.000 2.743 0.000) 2.743 9.955 ( -0.000 3.052 -0.000) 3.052 10.013 ( 0.000 -2.608 -0.000) 2.608 10.071 ( -0.000 -4.783 0.000) 4.783 10.552 ( 0.000 2.234 0.000) 2.234 10.571 ( 0.000 0.677 0.000) 0.677 10.872 ( 0.000 7.990 0.000) 7.990 11.011 ( 0.000 -5.538 -0.000) 5.538 11.422 ( 0.000 2.632 0.000) 2.632 11.509 ( 0.000 -6.416 -0.000) 6.416 12.237 ( 0.000 1.724 -0.000) 1.724 12.309 ( 0.000 -6.112 0.000) 6.112 13.066 ( 0.000 6.831 -0.000) 6.831 13.171 ( 0.000 -4.123 0.000) 4.123 13.441 ( 0.000 8.628 0.000) 8.628 13.587 ( 0.000 -6.359 -0.000) 6.359 14.981 ( -0.000 1.950 0.000) 1.950 14.997 ( 0.000 0.449 0.000) 0.449 15.295 ( 0.000 2.341 -0.000) 2.341 15.319 ( -0.000 -0.162 0.000) 0.162 15.691 ( 0.000 1.714 -0.000) 1.714 15.753 ( 0.000 -4.497 0.000) 4.497 16.250 ( 0.000 7.085 0.000) 7.085 16.380 ( 0.000 -6.070 0.000) 6.070 17.342 ( 0.000 1.704 0.000) 1.704 17.373 ( 0.000 -1.447 0.000) 1.447 17.954 ( 0.000 -0.623 -0.000) 0.623 17.957 ( 0.000 -0.894 0.000) 0.894 18.688 ( -0.000 1.722 0.000) 1.722 18.693 ( 0.000 1.748 -0.000) 1.748 18.896 ( 0.000 -1.438 -0.000) 1.438 18.913 ( 0.000 -2.497 0.000) 2.497 26.474 ( -0.000 1.342 0.000) 1.342 26.488 ( 0.000 -0.298 -0.000) 0.298 26.892 ( 0.000 -0.560 0.000) 0.560 26.906 ( -0.000 -2.147 0.000) 2.147 28.938 ( 0.000 3.379 0.000) 3.379 28.965 ( 0.000 0.108 -0.000) 0.108 29.204 ( 0.000 4.023 -0.000) 4.023 29.327 ( 0.000 -8.008 0.000) 8.008 31.407 ( 0.000 1.873 -0.000) 1.873 31.441 ( 0.000 -1.731 0.000) 1.731 32.115 ( 0.000 10.841 0.000) 10.841 32.312 ( 0.000 -8.669 -0.000) 8.669 32.829 ( -0.000 5.655 0.000) 5.655 32.899 ( 0.000 -2.204 0.000) 2.204 33.147 ( 0.000 5.104 -0.000) 5.104 33.208 ( -0.000 -1.104 -0.000) 1.104 ======================= Grid point 99 (31/126) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -9.623 0.000 42.268) 43.350 0.931 ( -8.482 0.000 47.123) 47.880 1.399 ( -12.505 0.000 69.970) 71.079 3.058 ( 3.184 0.000 -28.306) 28.484 3.458 ( 13.229 0.000 -31.824) 34.464 4.109 ( 1.449 0.000 4.941) 5.149 4.392 ( -9.649 0.000 3.170) 10.157 5.102 ( 10.441 0.000 -26.562) 28.541 5.157 ( -7.676 0.000 26.560) 27.647 5.545 ( 3.422 0.000 0.638) 3.481 5.884 ( 1.548 0.000 -2.301) 2.774 5.904 ( -7.816 0.000 -5.217) 9.397 6.232 ( 1.216 0.000 -4.325) 4.492 6.268 ( 20.222 0.000 -4.911) 20.809 6.449 ( 4.792 0.000 2.211) 5.277 6.488 ( -15.699 0.000 2.618) 15.916 6.688 ( -11.705 0.000 15.692) 19.576 7.511 ( 4.680 0.000 -15.489) 16.180 7.523 ( -2.930 0.000 -0.222) 2.939 7.757 ( 11.021 0.000 -9.720) 14.695 7.936 ( -2.718 0.000 -16.613) 16.834 7.941 ( 24.646 0.000 -5.815) 25.322 8.331 ( 2.078 0.000 9.245) 9.476 8.474 ( 1.692 0.000 1.489) 2.254 8.530 ( -8.076 0.000 4.549) 9.269 8.550 ( -1.420 0.000 9.517) 9.623 8.877 ( -1.052 0.000 7.087) 7.165 8.892 ( 5.135 0.000 15.870) 16.680 9.475 ( -6.148 0.000 5.463) 8.224 9.912 ( 0.004 0.000 0.486) 0.486 10.028 ( -11.514 0.000 -5.810) 12.897 10.176 ( 1.529 0.000 -8.722) 8.855 10.258 ( 2.887 0.000 2.727) 3.971 10.570 ( 4.882 0.000 -3.439) 5.972 10.675 ( -4.929 0.000 -8.741) 10.035 11.016 ( 1.681 0.000 -6.170) 6.395 11.122 ( -0.203 0.000 1.034) 1.054 11.225 ( 0.541 0.000 -0.794) 0.961 11.946 ( -6.629 0.000 14.567) 16.005 12.032 ( 1.069 0.000 2.090) 2.347 12.194 ( -1.375 0.000 4.922) 5.110 12.653 ( 12.241 0.000 -0.425) 12.249 12.701 ( 4.627 0.000 2.962) 5.494 12.997 ( -2.492 0.000 -3.405) 4.220 13.741 ( 9.331 0.000 0.634) 9.352 14.030 ( -51.122 0.000 -5.925) 51.464 14.143 ( -15.977 0.000 3.055) 16.267 14.487 ( 3.301 0.000 -5.599) 6.500 15.284 ( -0.251 0.000 3.248) 3.258 15.361 ( 27.084 0.000 -0.779) 27.095 15.409 ( -0.828 0.000 0.672) 1.066 15.666 ( -9.310 0.000 -5.014) 10.575 16.422 ( 3.588 0.000 4.427) 5.698 16.622 ( -1.506 0.000 -1.298) 1.988 17.602 ( -0.499 0.000 2.387) 2.439 17.897 ( -11.453 0.000 -6.642) 13.240 18.160 ( -12.250 0.000 6.589) 13.910 18.431 ( 5.041 0.000 -1.707) 5.322 18.596 ( -4.631 0.000 0.824) 4.704 18.649 ( -0.364 0.000 -0.485) 0.607 18.991 ( -1.094 0.000 1.411) 1.785 19.159 ( 9.549 0.000 -2.271) 9.815 26.417 ( 44.336 0.000 0.227) 44.337 26.431 ( -8.482 0.000 -0.090) 8.482 26.773 ( 2.350 0.000 -0.012) 2.351 26.778 ( -2.111 0.000 -0.125) 2.115 28.481 ( -0.560 0.000 -0.248) 0.613 28.547 ( 8.024 0.000 -3.664) 8.822 28.802 ( 19.122 0.000 7.236) 20.445 29.155 ( 0.632 0.000 -2.881) 2.949 31.125 ( 0.669 0.000 1.243) 1.412 31.258 ( -0.045 0.000 -1.978) 1.979 31.866 ( -3.239 0.000 3.042) 4.444 32.113 ( 5.143 0.000 -3.251) 6.084 32.123 ( 0.777 0.000 0.953) 1.230 32.192 ( -5.268 0.000 -0.252) 5.275 34.004 ( -71.984 0.000 0.253) 71.985 34.025 ( 6.876 0.000 -0.238) 6.881 ======================= Grid point 100 (32/126) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 20.954 0.000 32.073) 38.311 1.134 ( 39.930 0.000 12.998) 41.993 1.804 ( 34.770 0.000 49.457) 60.456 3.112 ( 2.898 0.000 -25.327) 25.493 3.793 ( 18.727 0.000 -30.113) 35.461 4.226 ( -7.021 0.000 5.045) 8.645 4.255 ( 10.178 0.000 7.677) 12.748 4.997 ( -6.888 0.000 16.635) 18.005 5.260 ( 2.432 0.000 -2.931) 3.809 5.657 ( -1.072 0.000 1.488) 1.834 5.778 ( -2.565 0.000 -8.455) 8.836 5.925 ( 9.393 0.000 -12.245) 15.433 6.141 ( -16.506 0.000 5.118) 17.281 6.330 ( 7.131 0.000 -2.550) 7.574 6.457 ( -4.217 0.000 8.160) 9.186 6.541 ( 3.659 0.000 3.950) 5.385 6.697 ( 17.460 0.000 -5.297) 18.246 7.536 ( -4.118 0.000 -9.214) 10.092 7.556 ( 5.905 0.000 -3.747) 6.994 7.754 ( -0.667 0.000 -8.365) 8.391 7.947 ( 3.893 0.000 -20.530) 20.895 8.354 ( 1.904 0.000 7.274) 7.519 8.388 ( -5.472 0.000 6.464) 8.469 8.470 ( -5.896 0.000 8.966) 10.731 8.551 ( 5.650 0.000 -1.726) 5.908 8.674 ( 15.176 0.000 -5.760) 16.232 8.894 ( 5.522 0.000 1.792) 5.805 9.039 ( 8.235 0.000 16.186) 18.160 9.441 ( 4.090 0.000 -2.750) 4.929 9.796 ( -9.576 0.000 -8.212) 12.614 9.872 ( -3.822 0.000 1.452) 4.089 10.178 ( -1.339 0.000 -7.900) 8.013 10.335 ( 4.627 0.000 -0.040) 4.627 10.500 ( -7.748 0.000 1.637) 7.919 10.710 ( 4.423 0.000 -14.098) 14.776 10.980 ( -5.397 0.000 2.061) 5.777 11.098 ( -2.224 0.000 0.477) 2.275 11.198 ( -1.716 0.000 -0.460) 1.777 11.760 ( -36.750 0.000 31.409) 48.343 11.827 ( -5.520 0.000 13.033) 14.154 12.078 ( -6.990 0.000 1.085) 7.073 12.098 ( -1.442 0.000 7.570) 7.706 12.735 ( -1.347 0.000 5.752) 5.908 13.220 ( -2.875 0.000 -6.852) 7.431 13.374 ( 4.846 0.000 -2.527) 5.466 13.895 ( 3.288 0.000 6.794) 7.548 14.166 ( 4.179 0.000 1.715) 4.517 14.638 ( 9.409 0.000 -0.928) 9.455 15.221 ( -5.258 0.000 2.793) 5.954 15.381 ( -0.947 0.000 1.005) 1.381 15.483 ( -8.297 0.000 0.618) 8.320 15.898 ( 15.356 0.000 -27.839) 31.793 16.515 ( 4.124 0.000 4.227) 5.905 16.563 ( -3.750 0.000 -2.446) 4.477 17.481 ( -14.194 0.000 13.416) 19.531 17.583 ( -1.367 0.000 2.275) 2.654 18.067 ( 0.818 0.000 2.610) 2.736 18.477 ( -4.935 0.000 1.892) 5.285 18.530 ( 3.108 0.000 -3.067) 4.366 18.657 ( 1.176 0.000 -1.010) 1.551 18.982 ( 0.086 0.000 0.192) 0.210 19.210 ( -1.091 0.000 0.118) 1.098 26.250 ( -6.474 0.000 -4.340) 7.794 26.730 ( -2.918 0.000 -1.555) 3.307 26.870 ( 5.172 0.000 0.108) 5.173 27.216 ( 14.256 0.000 -12.040) 18.660 28.474 ( -0.064 0.000 -0.567) 0.570 28.600 ( 0.643 0.000 -2.001) 2.102 29.222 ( 5.233 0.000 -2.009) 5.606 29.893 ( 43.920 0.000 -51.824) 67.931 31.157 ( 3.142 0.000 0.773) 3.236 31.250 ( -0.702 0.000 -2.237) 2.345 31.647 ( -34.667 0.000 30.012) 45.853 31.844 ( 1.395 0.000 -0.181) 1.407 32.067 ( -5.709 0.000 2.050) 6.066 32.343 ( 12.712 0.000 -3.777) 13.261 32.671 ( -23.780 0.000 30.874) 38.970 34.100 ( -0.320 0.000 5.619) 5.628 ======================= Grid point 101 (33/126) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 31.682 0.000 15.670) 35.345 2.032 ( 39.402 0.000 12.133) 41.228 2.619 ( 37.348 0.000 13.923) 39.859 3.189 ( 5.181 0.000 -19.724) 20.393 4.078 ( -6.057 0.000 14.443) 15.661 4.219 ( 20.909 0.000 -30.155) 36.695 4.409 ( 1.010 0.000 6.859) 6.933 4.888 ( -3.604 0.000 1.895) 4.072 5.297 ( 2.575 0.000 6.188) 6.702 5.380 ( -19.676 0.000 7.807) 21.168 5.754 ( -15.060 0.000 11.924) 19.209 5.818 ( 6.379 0.000 -9.466) 11.415 6.189 ( 3.815 0.000 1.207) 4.002 6.452 ( 3.143 0.000 7.478) 8.112 6.608 ( 18.785 0.000 -15.221) 24.177 6.630 ( 4.866 0.000 -3.814) 6.183 7.064 ( 16.254 0.000 -7.038) 17.713 7.389 ( -7.884 0.000 1.773) 8.081 7.755 ( -0.647 0.000 -10.410) 10.430 7.794 ( 16.432 0.000 -14.024) 21.603 8.056 ( 6.196 0.000 -13.029) 14.427 8.189 ( -13.009 0.000 14.169) 19.235 8.309 ( -1.010 0.000 0.992) 1.416 8.439 ( 2.291 0.000 14.385) 14.567 8.692 ( 6.960 0.000 -1.719) 7.169 8.818 ( 4.502 0.000 3.603) 5.766 9.109 ( 10.564 0.000 -1.660) 10.694 9.240 ( 10.290 0.000 15.196) 18.352 9.489 ( -3.546 0.000 -6.078) 7.037 9.603 ( -5.670 0.000 -5.592) 7.963 9.742 ( -8.781 0.000 2.468) 9.121 10.110 ( -4.946 0.000 -6.912) 8.499 10.341 ( -6.130 0.000 -0.827) 6.185 10.441 ( 4.492 0.000 -6.597) 7.981 10.767 ( 0.974 0.000 -10.986) 11.029 10.842 ( -6.014 0.000 0.186) 6.017 11.031 ( -4.074 0.000 0.330) 4.088 11.168 ( -4.020 0.000 5.881) 7.124 11.269 ( -13.358 0.000 13.072) 18.690 11.667 ( -9.794 0.000 13.105) 16.360 12.000 ( -0.005 0.000 -2.160) 2.160 12.125 ( 2.147 0.000 2.885) 3.597 12.660 ( -5.592 0.000 7.710) 9.524 13.101 ( -5.612 0.000 -2.788) 6.266 13.476 ( 2.265 0.000 -4.049) 4.639 13.891 ( -2.981 0.000 5.233) 6.022 14.297 ( 8.005 0.000 0.399) 8.015 14.752 ( -0.058 0.000 1.460) 1.461 15.101 ( -5.542 0.000 -0.035) 5.542 15.281 ( -10.621 0.000 0.876) 10.657 15.432 ( 6.466 0.000 5.450) 8.457 16.088 ( 5.061 0.000 -19.848) 20.483 16.474 ( -4.354 0.000 -2.132) 4.848 16.579 ( 1.863 0.000 3.084) 3.603 17.343 ( -1.094 0.000 2.975) 3.170 17.541 ( -2.704 0.000 2.376) 3.600 18.096 ( 1.218 0.000 1.772) 2.150 18.386 ( -3.277 0.000 -2.643) 4.210 18.587 ( 2.254 0.000 0.346) 2.281 18.699 ( 2.734 0.000 -2.252) 3.542 18.989 ( 0.540 0.000 -0.432) 0.691 19.175 ( -2.119 0.000 1.630) 2.673 26.178 ( -0.594 0.000 -2.494) 2.564 26.657 ( -3.672 0.000 -1.868) 4.120 26.967 ( 3.832 0.000 -0.237) 3.839 27.353 ( 2.758 0.000 -2.621) 3.805 28.477 ( 0.215 0.000 -0.270) 0.345 28.622 ( 1.451 0.000 -3.256) 3.564 29.352 ( 6.480 0.000 -0.344) 6.489 30.123 ( -9.467 0.000 1.180) 9.541 31.231 ( -0.832 0.000 -2.918) 3.035 31.291 ( -4.199 0.000 6.232) 7.515 31.305 ( 9.308 0.000 -12.130) 15.289 31.882 ( -5.341 0.000 3.949) 6.642 31.950 ( 2.378 0.000 -3.599) 4.313 32.429 ( -6.925 0.000 12.473) 14.266 32.634 ( 13.872 0.000 -5.136) 14.792 34.016 ( -7.196 0.000 6.140) 9.459 ======================= Grid point 102 (34/126) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 28.840 0.000 7.807) 29.878 2.658 ( 15.006 0.000 26.018) 30.036 3.287 ( 28.307 0.000 -18.101) 33.599 3.310 ( 5.481 0.000 -8.270) 9.921 3.957 ( -7.721 0.000 3.405) 8.438 4.318 ( -5.792 0.000 -6.669) 8.833 4.601 ( 13.020 0.000 -4.308) 13.714 4.827 ( -27.366 0.000 14.457) 30.950 4.960 ( 14.407 0.000 -11.235) 18.270 5.418 ( -4.704 0.000 2.744) 5.446 5.538 ( 1.160 0.000 17.680) 17.718 5.986 ( 7.686 0.000 -9.391) 12.135 6.221 ( 0.758 0.000 -1.974) 2.115 6.469 ( -1.484 0.000 11.772) 11.865 6.714 ( 2.817 0.000 -7.218) 7.748 6.962 ( 11.392 0.000 -5.884) 12.821 7.213 ( -9.362 0.000 11.289) 14.666 7.374 ( 13.640 0.000 -9.473) 16.607 7.717 ( -1.520 0.000 -4.776) 5.012 7.934 ( -11.346 0.000 9.136) 14.567 8.003 ( 1.981 0.000 -12.465) 12.621 8.246 ( 6.607 0.000 -9.509) 11.579 8.460 ( 18.009 0.000 -11.684) 21.467 8.507 ( 3.435 0.000 7.869) 8.586 8.812 ( 3.507 0.000 2.775) 4.472 8.920 ( 3.680 0.000 4.400) 5.736 9.250 ( -5.815 0.000 -10.581) 12.073 9.327 ( 3.204 0.000 -0.729) 3.286 9.479 ( 11.113 0.000 8.238) 13.833 9.519 ( -9.506 0.000 2.300) 9.781 9.624 ( 4.192 0.000 7.613) 8.691 9.973 ( -7.624 0.000 -3.545) 8.408 10.277 ( 0.242 0.000 -1.505) 1.524 10.465 ( -3.325 0.000 0.789) 3.417 10.756 ( -3.713 0.000 -8.676) 9.437 10.758 ( -1.485 0.000 -3.463) 3.768 10.904 ( -7.882 0.000 -2.306) 8.212 10.911 ( -10.349 0.000 9.797) 14.251 11.227 ( 1.992 0.000 3.499) 4.026 11.479 ( -7.026 0.000 8.643) 11.139 12.036 ( 2.680 0.000 -2.234) 3.489 12.172 ( 1.868 0.000 0.239) 1.883 12.522 ( -6.938 0.000 10.127) 12.275 13.001 ( -3.433 0.000 -3.334) 4.786 13.498 ( 0.725 0.000 -0.264) 0.771 13.806 ( -4.298 0.000 1.621) 4.593 14.490 ( 9.815 0.000 -0.346) 9.821 14.693 ( -4.283 0.000 3.473) 5.514 15.007 ( -2.451 0.000 -4.147) 4.817 15.047 ( -11.113 0.000 1.113) 11.169 15.592 ( 6.198 0.000 6.965) 9.323 16.146 ( 1.359 0.000 -12.353) 12.428 16.395 ( -2.542 0.000 0.132) 2.545 16.600 ( 0.061 0.000 1.022) 1.024 17.383 ( 4.157 0.000 -1.852) 4.551 17.475 ( -3.198 0.000 1.838) 3.689 18.109 ( -0.070 0.000 1.650) 1.651 18.336 ( -1.476 0.000 -4.166) 4.420 18.626 ( 1.306 0.000 1.455) 1.955 18.763 ( 3.091 0.000 -3.250) 4.485 19.005 ( 1.047 0.000 -0.043) 1.048 19.121 ( -2.978 0.000 1.788) 3.474 26.200 ( 2.150 0.000 0.635) 2.242 26.586 ( -2.793 0.000 -2.459) 3.721 27.034 ( 2.619 0.000 0.824) 2.746 27.380 ( 0.020 0.000 -1.979) 1.979 28.482 ( 0.295 0.000 0.210) 0.362 28.653 ( 1.416 0.000 -4.880) 5.081 29.474 ( 4.668 0.000 1.733) 4.979 29.862 ( -12.859 0.000 11.520) 17.265 31.230 ( 1.179 0.000 -3.900) 4.075 31.246 ( -1.344 0.000 -6.254) 6.397 31.495 ( 8.421 0.000 -5.742) 10.192 31.701 ( -8.854 0.000 4.372) 9.874 32.089 ( 7.767 0.000 -4.409) 8.931 32.299 ( -5.806 0.000 4.374) 7.269 32.911 ( 12.369 0.000 2.226) 12.567 33.829 ( -9.756 0.000 2.959) 10.195 ======================= Grid point 103 (35/126) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -11.678 0.000 13.782) 18.064 2.765 ( 5.969 0.000 8.371) 10.281 3.359 ( -2.195 0.000 -0.251) 2.209 3.632 ( -12.931 0.000 -3.335) 13.354 3.968 ( 26.398 0.000 -17.349) 31.589 4.318 ( 7.683 0.000 -19.896) 21.328 4.353 ( -12.364 0.000 9.203) 15.413 4.752 ( -0.252 0.000 16.055) 16.057 5.192 ( -12.192 0.000 8.557) 14.895 5.374 ( 19.584 0.000 -10.788) 22.359 5.636 ( 2.891 0.000 16.200) 16.456 6.073 ( 0.479 0.000 -6.949) 6.965 6.208 ( -3.004 0.000 -7.362) 7.951 6.397 ( -5.448 0.000 7.917) 9.611 6.735 ( -1.156 0.000 -8.231) 8.311 6.995 ( -10.756 0.000 14.422) 17.991 7.083 ( 1.449 0.000 -1.025) 1.775 7.556 ( 0.938 0.000 -10.509) 10.550 7.708 ( -3.912 0.000 -2.057) 4.420 7.759 ( 0.704 0.000 5.913) 5.955 8.091 ( 8.684 0.000 -2.511) 9.040 8.273 ( -2.848 0.000 -12.081) 12.412 8.566 ( 1.352 0.000 -1.157) 1.779 8.770 ( 7.705 0.000 -11.078) 13.493 8.818 ( -2.052 0.000 6.822) 7.124 8.842 ( -10.258 0.000 -2.683) 10.603 9.152 ( -1.662 0.000 -0.306) 1.690 9.358 ( -4.298 0.000 -8.545) 9.564 9.484 ( 8.095 0.000 -0.708) 8.126 9.751 ( 7.161 0.000 12.592) 14.486 9.753 ( 9.285 0.000 -1.567) 9.416 9.788 ( -8.766 0.000 6.234) 10.756 10.321 ( 0.924 0.000 2.608) 2.766 10.337 ( -5.674 0.000 2.769) 6.313 10.601 ( -6.513 0.000 2.754) 7.071 10.643 ( -3.143 0.000 -2.075) 3.766 10.883 ( 7.067 0.000 0.593) 7.092 10.898 ( 4.048 0.000 -8.588) 9.494 11.305 ( 5.536 0.000 7.497) 9.319 11.370 ( -4.483 0.000 2.655) 5.211 12.104 ( 4.140 0.000 -2.306) 4.739 12.186 ( -0.761 0.000 -1.359) 1.558 12.404 ( -4.054 0.000 11.846) 12.521 12.962 ( -0.260 0.000 -3.477) 3.486 13.534 ( 3.040 0.000 2.605) 4.004 13.735 ( -2.333 0.000 -1.531) 2.791 14.593 ( -4.615 0.000 1.734) 4.930 14.660 ( 1.998 0.000 0.706) 2.119 14.865 ( -1.956 0.000 0.247) 1.971 15.015 ( 2.908 0.000 -3.450) 4.513 15.629 ( -3.263 0.000 4.491) 5.551 16.159 ( 0.338 0.000 -9.061) 9.067 16.392 ( 2.400 0.000 3.301) 4.081 16.579 ( -2.021 0.000 -1.280) 2.392 17.428 ( -0.759 0.000 0.297) 0.815 17.494 ( 5.938 0.000 -0.234) 5.943 18.094 ( -1.241 0.000 0.937) 1.555 18.318 ( -0.225 0.000 -4.022) 4.028 18.639 ( -0.106 0.000 1.197) 1.202 18.817 ( 1.804 0.000 -3.435) 3.880 19.034 ( 1.512 0.000 1.304) 1.997 19.055 ( -3.021 0.000 0.988) 3.178 26.253 ( 2.621 0.000 3.190) 4.128 26.542 ( -1.284 0.000 -3.734) 3.949 27.078 ( 1.466 0.000 2.607) 2.991 27.355 ( -2.399 0.000 -3.661) 4.377 28.489 ( 0.327 0.000 0.616) 0.697 28.673 ( 0.493 0.000 -6.208) 6.228 29.534 ( 0.647 0.000 3.837) 3.891 29.607 ( -11.593 0.000 7.284) 13.692 31.211 ( -1.799 0.000 -7.083) 7.307 31.285 ( 3.784 0.000 -3.635) 5.247 31.543 ( -5.374 0.000 2.199) 5.807 31.667 ( 7.977 0.000 -0.345) 7.985 32.188 ( -4.524 0.000 -0.743) 4.585 32.232 ( 4.966 0.000 -1.609) 5.220 33.166 ( 11.893 0.000 10.615) 15.941 33.644 ( -6.805 0.000 -2.889) 7.393 ======================= Grid point 104 (36/126) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -25.257 0.000 8.928) 26.788 2.562 ( -22.403 0.000 16.940) 28.086 3.179 ( -11.514 0.000 -7.149) 13.552 3.332 ( -11.454 0.000 -14.641) 18.589 4.310 ( -14.364 0.000 8.933) 16.915 4.393 ( 10.862 0.000 -12.863) 16.836 4.637 ( 20.587 0.000 -6.741) 21.662 4.689 ( 9.027 0.000 15.546) 17.977 4.945 ( -9.832 0.000 3.823) 10.549 5.597 ( -0.003 0.000 6.390) 6.390 5.652 ( -1.568 0.000 15.325) 15.405 6.054 ( -3.889 0.000 -3.949) 5.543 6.066 ( -9.550 0.000 -10.881) 14.477 6.260 ( -4.705 0.000 -3.052) 5.608 6.729 ( 4.415 0.000 -11.325) 12.155 6.807 ( -6.461 0.000 7.733) 10.077 7.066 ( -2.448 0.000 -0.363) 2.475 7.433 ( -10.570 0.000 -3.689) 11.195 7.662 ( 0.111 0.000 -4.920) 4.922 7.823 ( 1.120 0.000 0.954) 1.471 8.140 ( -6.977 0.000 -7.079) 9.940 8.299 ( 7.183 0.000 -6.852) 9.927 8.497 ( -7.705 0.000 -0.522) 7.723 8.676 ( -3.039 0.000 -2.466) 3.914 8.793 ( -5.805 0.000 -4.424) 7.298 8.805 ( 1.345 0.000 7.538) 7.657 9.087 ( -4.148 0.000 0.173) 4.151 9.121 ( -19.529 0.000 0.185) 19.530 9.617 ( 3.509 0.000 4.432) 5.653 9.660 ( 1.717 0.000 2.677) 3.180 9.897 ( 5.996 0.000 13.291) 14.581 9.912 ( 5.531 0.000 -8.002) 9.727 10.286 ( -0.559 0.000 -0.583) 0.808 10.335 ( 4.227 0.000 -3.995) 5.816 10.535 ( 1.229 0.000 -2.924) 3.172 10.754 ( 7.956 0.000 -1.774) 8.152 10.990 ( 4.437 0.000 -5.247) 6.871 11.143 ( 12.363 0.000 6.391) 13.917 11.278 ( -0.412 0.000 -0.044) 0.414 11.470 ( 9.750 0.000 13.620) 16.750 12.137 ( -3.608 0.000 -1.680) 3.980 12.220 ( 6.440 0.000 -3.555) 7.356 12.349 ( -1.629 0.000 12.596) 12.701 12.982 ( 2.042 0.000 -3.364) 3.936 13.640 ( 7.100 0.000 6.108) 9.366 13.696 ( -1.634 0.000 -3.817) 4.153 14.522 ( -1.884 0.000 -3.275) 3.778 14.532 ( -8.756 0.000 2.830) 9.202 15.007 ( 10.046 0.000 -1.011) 10.096 15.097 ( 4.165 0.000 -0.629) 4.213 15.498 ( -7.230 0.000 3.629) 8.090 16.162 ( 0.013 0.000 -9.413) 9.413 16.475 ( 4.635 0.000 3.861) 6.032 16.517 ( -3.688 0.000 -2.913) 4.700 17.452 ( 2.863 0.000 -0.683) 2.943 17.621 ( 5.810 0.000 5.064) 7.707 18.061 ( -1.733 0.000 -0.571) 1.825 18.316 ( -0.137 0.000 -3.709) 3.711 18.632 ( -0.216 0.000 0.607) 0.644 18.821 ( -1.696 0.000 -1.742) 2.431 19.012 ( -0.718 0.000 -1.617) 1.769 19.062 ( 0.861 0.000 2.599) 2.737 26.312 ( 3.037 0.000 5.320) 6.126 26.528 ( -0.022 0.000 -6.128) 6.128 27.088 ( -0.946 0.000 3.812) 3.928 27.274 ( -5.203 0.000 -6.452) 8.288 28.496 ( 0.272 0.000 0.853) 0.895 28.668 ( -0.952 0.000 -7.049) 7.113 29.367 ( -11.380 0.000 1.301) 11.454 29.495 ( -4.437 0.000 4.567) 6.367 31.171 ( -1.788 0.000 -4.753) 5.078 31.324 ( -1.285 0.000 0.624) 1.429 31.546 ( 6.796 0.000 -3.671) 7.725 31.827 ( 6.838 0.000 1.796) 7.070 32.119 ( -1.603 0.000 -3.720) 4.050 32.268 ( -1.943 0.000 3.588) 4.080 33.434 ( 13.564 0.000 19.439) 23.703 33.574 ( 0.736 0.000 -9.960) 9.987 ======================= Grid point 105 (37/126) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -30.563 0.000 14.912) 34.007 1.969 ( -31.285 0.000 27.512) 41.661 3.004 ( -3.955 0.000 -22.385) 22.732 3.167 ( -6.122 0.000 -17.813) 18.836 3.549 ( -46.533 0.000 28.902) 54.778 4.462 ( -8.437 0.000 -4.382) 9.507 4.832 ( 5.338 0.000 -8.748) 10.248 4.862 ( -2.175 0.000 11.046) 11.258 5.194 ( 26.430 0.000 -10.208) 28.333 5.507 ( -6.761 0.000 15.745) 17.135 5.576 ( -5.037 0.000 8.531) 9.907 5.890 ( -4.680 0.000 -7.860) 9.148 5.961 ( 1.988 0.000 -6.851) 7.133 6.170 ( -5.837 0.000 0.187) 5.840 6.661 ( -7.382 0.000 0.767) 7.422 6.992 ( -4.587 0.000 -1.193) 4.740 7.015 ( 18.479 0.000 -15.930) 24.397 7.158 ( -14.473 0.000 5.325) 15.421 7.644 ( -1.754 0.000 -10.487) 10.633 7.760 ( -5.330 0.000 -7.184) 8.945 7.976 ( -9.029 0.000 -12.403) 15.341 8.379 ( -7.444 0.000 -1.634) 7.621 8.403 ( -1.011 0.000 7.126) 7.197 8.437 ( -13.436 0.000 9.515) 16.464 8.632 ( -2.029 0.000 -0.113) 2.033 8.828 ( -0.454 0.000 13.275) 13.283 8.861 ( -5.890 0.000 -4.499) 7.411 9.004 ( -3.634 0.000 -0.217) 3.641 9.633 ( -1.465 0.000 6.372) 6.538 9.764 ( 6.000 0.000 0.013) 6.000 10.024 ( 5.851 0.000 10.612) 12.118 10.025 ( 5.314 0.000 -11.079) 12.287 10.328 ( 4.138 0.000 -3.517) 5.431 10.358 ( -2.139 0.000 -7.797) 8.085 10.698 ( 11.753 0.000 -8.153) 14.304 10.862 ( 0.799 0.000 -1.679) 1.860 11.079 ( 4.118 0.000 -2.646) 4.895 11.119 ( -2.884 0.000 2.510) 3.824 11.610 ( 20.735 0.000 8.218) 22.304 11.716 ( 13.098 0.000 21.905) 25.522 12.055 ( -3.421 0.000 -1.144) 3.608 12.244 ( -4.545 0.000 9.579) 10.603 12.422 ( 7.524 0.000 -1.629) 7.698 13.034 ( 2.568 0.000 -3.862) 4.638 13.651 ( -2.511 0.000 -6.200) 6.690 13.838 ( 11.404 0.000 10.576) 15.553 14.367 ( -6.256 0.000 5.832) 8.553 14.500 ( -0.686 0.000 -7.394) 7.426 15.171 ( 2.932 0.000 1.539) 3.311 15.207 ( 8.120 0.000 -1.832) 8.324 15.400 ( -1.498 0.000 3.583) 3.883 16.138 ( -2.908 0.000 -14.106) 14.402 16.435 ( -3.489 0.000 -2.416) 4.244 16.567 ( 3.681 0.000 2.543) 4.474 17.530 ( 3.933 0.000 0.166) 3.937 17.750 ( 6.900 0.000 11.526) 13.434 18.026 ( -1.431 0.000 -2.016) 2.473 18.310 ( 0.019 0.000 -3.569) 3.569 18.640 ( 0.884 0.000 0.111) 0.891 18.757 ( -3.627 0.000 -0.210) 3.633 19.017 ( 0.779 0.000 -3.638) 3.721 19.063 ( -0.909 0.000 3.322) 3.444 26.389 ( 4.100 0.000 6.881) 8.010 26.527 ( -0.563 0.000 -11.380) 11.394 27.025 ( -5.458 0.000 3.299) 6.377 27.122 ( -9.360 0.000 -9.461) 13.309 28.499 ( 0.004 0.000 0.885) 0.885 28.628 ( -2.724 0.000 -7.808) 8.269 29.116 ( -12.567 0.000 -2.643) 12.842 29.360 ( -7.767 0.000 2.408) 8.132 31.138 ( -1.202 0.000 -1.798) 2.162 31.284 ( -1.675 0.000 -0.016) 1.675 31.754 ( 11.190 0.000 -2.994) 11.584 31.939 ( 3.674 0.000 -1.145) 3.848 32.133 ( 2.971 0.000 -1.610) 3.380 32.169 ( -6.541 0.000 6.266) 9.058 33.662 ( 7.187 0.000 -12.698) 14.591 33.773 ( 18.787 0.000 27.384) 33.209 ======================= Grid point 106 (38/126) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -21.026 0.000 32.265) 38.511 1.338 ( -27.347 0.000 38.581) 47.290 2.321 ( -57.474 0.000 50.034) 76.201 2.993 ( 2.675 0.000 -29.613) 29.734 3.260 ( 5.659 0.000 -29.842) 30.374 4.217 ( -10.733 0.000 2.766) 11.084 4.648 ( -13.901 0.000 5.926) 15.112 4.946 ( 5.173 0.000 -26.786) 27.280 5.335 ( -9.340 0.000 25.380) 27.044 5.517 ( -0.341 0.000 5.887) 5.897 5.724 ( 20.184 0.000 -9.697) 22.393 5.893 ( 7.015 0.000 -2.260) 7.370 6.031 ( -4.529 0.000 -0.171) 4.533 6.146 ( 8.951 0.000 -6.099) 10.831 6.473 ( -8.438 0.000 -1.438) 8.560 6.810 ( -14.173 0.000 -2.280) 14.356 6.901 ( -8.678 0.000 14.012) 16.482 7.361 ( 11.916 0.000 -13.529) 18.029 7.635 ( -4.152 0.000 -9.868) 10.705 7.694 ( 7.572 0.000 -13.534) 15.508 7.708 ( -14.000 0.000 -1.050) 14.039 8.060 ( -9.166 0.000 -5.650) 10.767 8.376 ( -2.916 0.000 8.014) 8.528 8.449 ( 1.289 0.000 1.477) 1.961 8.587 ( -2.121 0.000 5.055) 5.482 8.715 ( -8.496 0.000 -0.058) 8.497 8.824 ( 0.899 0.000 15.838) 15.864 8.927 ( -3.497 0.000 4.398) 5.619 9.579 ( -3.567 0.000 4.725) 5.920 9.872 ( 3.728 0.000 -0.060) 3.728 10.121 ( 3.778 0.000 -10.410) 11.074 10.133 ( 3.298 0.000 7.180) 7.901 10.272 ( -5.186 0.000 -10.939) 12.106 10.441 ( 6.239 0.000 -5.504) 8.320 10.794 ( -5.334 0.000 -4.709) 7.116 10.919 ( 7.997 0.000 -8.629) 11.765 11.113 ( 0.821 0.000 3.016) 3.126 11.166 ( 4.130 0.000 -1.762) 4.490 12.010 ( 1.298 0.000 2.908) 3.184 12.016 ( 12.568 0.000 19.403) 23.118 12.078 ( 21.018 0.000 23.289) 31.370 12.122 ( -4.178 0.000 4.553) 6.179 12.571 ( 6.606 0.000 -2.801) 7.175 13.069 ( 0.127 0.000 -5.039) 5.040 13.620 ( 1.191 0.000 -6.706) 6.811 14.076 ( 6.550 0.000 4.170) 7.765 14.347 ( 8.478 0.000 16.821) 18.837 14.477 ( -1.047 0.000 -7.596) 7.668 15.241 ( 3.454 0.000 2.673) 4.368 15.302 ( -1.255 0.000 -5.093) 5.245 15.406 ( 0.878 0.000 2.269) 2.433 15.975 ( -13.594 0.000 -21.516) 25.451 16.389 ( -0.517 0.000 0.951) 1.083 16.623 ( 1.393 0.000 0.609) 1.520 17.593 ( 1.624 0.000 1.866) 2.474 17.940 ( 6.382 0.000 1.255) 6.504 18.036 ( 8.187 0.000 10.445) 13.272 18.338 ( 3.108 0.000 -3.205) 4.464 18.651 ( -0.522 0.000 0.497) 0.721 18.687 ( -2.791 0.000 -0.219) 2.800 19.028 ( -2.158 0.000 2.985) 3.683 19.031 ( 0.901 0.000 -2.378) 2.544 26.420 ( -12.898 0.000 -22.111) 25.598 26.478 ( 3.252 0.000 6.811) 7.547 26.862 ( -8.915 0.000 0.048) 8.915 26.888 ( -10.134 0.000 -3.756) 10.807 28.494 ( -0.509 0.000 0.526) 0.732 28.545 ( -4.901 0.000 -7.866) 9.268 28.849 ( -11.106 0.000 3.243) 11.570 29.209 ( -5.517 0.000 -1.347) 5.679 31.121 ( -0.322 0.000 0.310) 0.447 31.261 ( -0.474 0.000 -1.316) 1.398 31.929 ( 1.351 0.000 2.488) 2.831 32.008 ( 3.730 0.000 -3.856) 5.365 32.067 ( 0.437 0.000 2.422) 2.461 32.206 ( 2.680 0.000 0.574) 2.741 33.843 ( 9.477 0.000 -8.491) 12.724 34.247 ( 22.682 0.000 18.988) 29.581 ======================= Grid point 107 (39/126) ======================= q-point: ( 0.00 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -2.742 23.131 31.224) 38.955 1.280 ( -0.733 34.477 30.179) 45.825 2.108 ( -13.334 58.458 45.429) 75.226 3.043 ( 5.620 0.589 -24.831) 25.466 3.563 ( 5.979 9.057 -32.012) 33.801 4.155 ( 2.513 3.704 5.930) 7.430 4.364 ( -5.532 -2.135 -0.527) 5.954 5.084 ( -4.280 2.234 12.701) 13.587 5.264 ( 2.485 4.898 -0.355) 5.504 5.599 ( 5.031 5.791 -5.813) 9.625 5.752 ( -1.283 -8.476 -2.531) 8.938 5.953 ( 2.703 0.076 -5.620) 6.237 6.105 ( 3.292 -6.018 -4.429) 8.165 6.384 ( 2.450 -4.403 1.202) 5.180 6.404 ( 7.288 5.564 -2.803) 9.588 6.566 ( -10.955 5.195 4.233) 12.842 6.770 ( -9.411 8.849 4.665) 13.735 7.400 ( -3.655 -12.258 -9.875) 16.159 7.456 ( -2.059 -6.957 -1.998) 7.525 7.597 ( 9.528 -4.993 -8.357) 13.622 7.842 ( 5.413 -11.053 -10.370) 16.094 7.884 ( 12.958 -8.384 -3.053) 15.733 8.180 ( 2.174 -15.492 10.807) 19.014 8.417 ( -3.624 0.457 0.470) 3.683 8.569 ( -1.209 2.821 7.566) 8.164 8.622 ( -3.315 6.366 4.551) 8.499 8.880 ( 0.156 2.286 6.125) 6.539 9.070 ( 1.488 11.632 4.906) 12.712 9.532 ( -4.266 5.306 8.071) 10.559 9.928 ( -4.580 -5.522 -2.369) 7.555 10.072 ( -1.487 6.821 -7.576) 10.302 10.088 ( 2.303 -9.781 -0.747) 10.076 10.209 ( 0.124 -0.983 -0.978) 1.393 10.488 ( -0.596 -7.951 3.065) 8.543 10.844 ( 4.654 -0.608 -13.990) 14.756 10.930 ( 0.169 0.813 -8.739) 8.779 11.164 ( -5.208 3.690 1.082) 6.474 11.298 ( 3.536 4.239 -0.968) 5.604 11.769 ( -12.414 -14.997 15.774) 25.057 12.105 ( 3.801 4.005 0.678) 5.563 12.168 ( 0.624 -0.445 4.020) 4.093 12.624 ( 12.393 -8.784 -0.710) 15.207 12.743 ( 9.342 4.955 3.345) 11.091 12.777 ( -21.064 -11.259 9.018) 25.530 13.459 ( -4.044 -4.510 6.241) 8.697 14.018 ( 3.173 -2.154 -12.874) 13.433 14.340 ( 3.418 11.103 -1.182) 11.677 14.700 ( -15.074 10.442 -3.223) 18.618 15.267 ( 4.138 -2.133 3.173) 5.634 15.333 ( 5.770 2.262 2.608) 6.724 15.505 ( 6.311 3.734 -2.592) 7.778 15.700 ( -8.361 1.555 -1.383) 8.617 16.360 ( 1.882 -2.998 1.813) 3.977 16.580 ( -1.046 -4.313 -1.544) 4.699 17.551 ( -4.232 -14.579 12.427) 19.618 17.580 ( -0.739 -2.304 2.012) 3.147 18.033 ( 1.072 -1.434 1.564) 2.377 18.413 ( 0.144 -9.962 -5.600) 11.429 18.648 ( 0.048 -0.531 0.787) 0.951 18.903 ( -5.706 6.646 -9.929) 13.241 19.029 ( -5.609 4.727 -0.411) 7.347 19.226 ( 6.743 6.076 -7.745) 11.932 26.334 ( 20.316 -3.858 3.773) 21.020 26.442 ( -6.837 0.763 -0.642) 6.909 26.750 ( 1.774 -1.963 0.354) 2.669 26.806 ( 0.565 0.986 -1.204) 1.656 28.513 ( -0.612 3.136 -0.270) 3.206 28.554 ( 4.817 1.776 -2.217) 5.592 28.786 ( 4.219 1.104 9.630) 10.571 29.308 ( 5.560 6.001 -10.406) 13.237 31.170 ( 0.798 4.627 1.017) 4.804 31.299 ( -0.978 3.831 -1.791) 4.341 31.675 ( -9.765 -8.805 13.042) 18.519 32.031 ( 4.402 -0.955 -2.198) 5.012 32.202 ( 2.743 -0.017 2.415) 3.655 32.348 ( -2.572 13.827 -1.620) 14.157 33.898 ( 1.349 -7.296 2.112) 7.715 34.197 ( -27.486 6.101 -12.200) 30.685 ======================= Grid point 108 (40/126) ======================= q-point: ( 0.12 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 29.085 25.200 14.774) 41.222 1.570 ( 23.749 33.424 19.476) 45.393 2.212 ( 21.209 45.029 36.051) 61.458 3.140 ( 4.234 3.027 -21.813) 22.425 3.773 ( 14.010 -0.187 -25.670) 29.245 4.261 ( 0.191 4.567 -2.063) 5.015 4.362 ( 10.029 7.722 7.806) 14.871 4.955 ( -5.679 -1.680 14.973) 16.101 5.315 ( -0.057 3.337 3.849) 5.094 5.645 ( -2.983 -5.319 -2.683) 6.662 5.785 ( -1.458 3.243 -0.357) 3.573 5.971 ( 7.154 4.672 -11.283) 14.153 6.142 ( -8.052 -2.143 3.098) 8.889 6.327 ( -2.152 2.894 0.589) 3.654 6.429 ( 5.211 -4.201 -4.854) 8.268 6.506 ( 0.360 -1.128 4.403) 4.560 6.787 ( 10.597 7.675 -5.481) 14.186 7.302 ( -4.850 -16.084 -7.460) 18.382 7.505 ( 6.227 -7.323 -3.542) 10.244 7.736 ( 4.279 -2.410 -9.469) 10.667 7.944 ( 5.674 -9.884 -13.349) 17.552 8.169 ( -5.145 -5.206 8.061) 10.888 8.211 ( 8.299 -18.598 3.374) 20.643 8.424 ( 1.670 -7.819 11.799) 14.252 8.584 ( 2.151 6.477 -1.522) 6.993 8.609 ( 6.584 0.257 5.114) 8.340 8.916 ( 3.452 3.251 0.392) 4.758 9.162 ( 7.250 9.109 6.946) 13.557 9.489 ( -0.397 3.662 4.934) 6.157 9.743 ( -10.170 -2.725 -3.476) 11.087 9.959 ( -5.877 0.127 -2.132) 6.253 10.207 ( 1.671 1.183 -8.505) 8.748 10.219 ( 2.162 -8.660 -1.010) 8.983 10.448 ( -2.375 -3.904 1.816) 4.917 10.844 ( -3.568 7.300 -15.240) 17.270 10.936 ( -3.582 -10.299 0.232) 10.907 11.045 ( -4.227 3.079 0.028) 5.230 11.293 ( -2.779 2.072 3.782) 5.130 11.461 ( -14.280 -12.029 11.586) 21.974 12.054 ( -7.406 4.392 5.093) 10.004 12.176 ( 0.369 9.647 5.073) 10.906 12.204 ( -17.151 9.866 8.687) 21.609 12.725 ( -0.194 -2.559 4.002) 4.755 13.070 ( 9.258 -10.020 -4.563) 14.385 13.394 ( -0.331 2.635 1.303) 2.958 13.982 ( -5.430 5.682 -1.748) 8.051 14.341 ( 0.071 14.541 3.665) 14.996 14.660 ( 8.324 2.227 -0.347) 8.623 15.234 ( -4.337 0.798 1.977) 4.832 15.377 ( -0.528 0.417 1.963) 2.075 15.522 ( -8.271 3.720 0.901) 9.114 15.830 ( 14.677 -6.976 -17.728) 24.049 16.422 ( 3.483 -6.535 4.522) 8.676 16.536 ( -2.913 -2.722 -3.582) 5.360 17.430 ( -6.124 -3.206 10.082) 12.224 17.561 ( -1.270 -2.145 1.780) 3.063 18.056 ( 1.307 -0.983 1.408) 2.158 18.399 ( -1.759 -9.311 -5.080) 10.752 18.615 ( -4.477 4.780 -2.877) 7.154 18.704 ( -4.361 5.645 -0.640) 7.162 18.982 ( -0.052 0.488 0.240) 0.546 19.235 ( -1.997 1.610 -0.580) 2.630 26.261 ( -6.051 1.118 -4.260) 7.485 26.713 ( -2.373 -2.525 -0.226) 3.473 26.817 ( 8.912 -5.738 0.229) 10.602 27.049 ( 16.981 -10.718 -4.099) 20.494 28.506 ( -0.060 3.121 -0.574) 3.174 28.623 ( 1.405 2.353 -2.354) 3.613 29.072 ( 14.248 -10.776 3.527) 18.209 29.625 ( 21.771 -12.354 -13.056) 28.232 31.204 ( 3.010 4.512 -0.093) 5.425 31.289 ( 0.440 3.665 -2.825) 4.648 31.468 ( -9.474 -3.169 11.764) 15.434 32.029 ( -4.323 -0.279 2.928) 5.228 32.201 ( -8.888 17.333 -2.296) 19.614 32.347 ( 10.134 -1.717 3.408) 10.829 33.256 ( -34.317 37.814 -3.214) 51.166 34.022 ( -0.771 -7.616 5.484) 9.416 ======================= Grid point 109 (41/126) ======================= q-point: ( 0.25 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 26.242 24.338 12.413) 37.882 2.240 ( 32.827 19.843 15.531) 41.383 2.825 ( 28.144 22.815 6.790) 36.861 3.277 ( 11.669 10.359 -15.114) 21.723 4.068 ( 10.148 -4.695 -1.614) 11.297 4.248 ( 2.195 11.516 -15.236) 19.224 4.581 ( 5.841 11.644 3.361) 13.453 4.895 ( 0.078 1.062 5.041) 5.152 5.293 ( 0.691 -0.150 6.112) 6.153 5.445 ( -20.659 6.479 8.318) 23.194 5.649 ( -3.510 -7.384 7.391) 11.021 5.910 ( -3.900 5.668 -2.913) 7.472 6.123 ( 2.083 -4.692 0.320) 5.144 6.463 ( 8.810 -9.174 -7.291) 14.661 6.518 ( 0.893 2.173 7.461) 7.822 6.689 ( 15.645 3.620 -16.271) 22.861 7.036 ( 11.491 -4.165 -5.219) 13.291 7.214 ( -2.402 -11.713 -2.838) 12.289 7.657 ( 3.116 -9.278 -4.816) 10.908 7.854 ( 10.142 -3.132 -9.988) 14.575 8.011 ( -5.967 -3.909 9.117) 11.576 8.068 ( 5.802 -6.682 -11.425) 14.451 8.271 ( -2.673 -1.086 3.266) 4.358 8.441 ( 4.021 -6.521 14.108) 16.054 8.663 ( 5.551 0.950 -2.637) 6.219 8.814 ( 9.167 -1.622 5.812) 10.975 9.033 ( 7.600 -0.872 -2.429) 8.026 9.354 ( 9.292 3.465 8.972) 13.373 9.428 ( -7.583 -3.377 -2.799) 8.760 9.586 ( -3.110 2.687 0.560) 4.148 9.786 ( -10.536 -1.454 -0.137) 10.636 10.173 ( -3.693 4.393 -4.579) 7.342 10.233 ( -1.074 -8.829 -3.242) 9.467 10.424 ( -0.493 -2.268 -2.522) 3.427 10.730 ( -5.717 -3.400 -8.645) 10.908 10.799 ( -5.541 -4.016 -1.985) 7.125 10.981 ( -3.519 -4.183 7.440) 9.233 11.190 ( -11.954 -3.305 3.918) 13.007 11.270 ( -0.847 4.321 -0.377) 4.419 11.828 ( -13.180 13.062 9.789) 20.980 12.031 ( 0.712 4.017 -1.339) 4.294 12.235 ( 1.955 9.108 3.075) 9.810 12.666 ( -4.847 0.344 6.753) 8.320 13.090 ( -4.066 -1.376 -3.069) 5.276 13.445 ( 2.783 -2.157 -1.244) 3.734 13.869 ( -4.725 -0.523 3.104) 5.677 14.411 ( 5.537 9.747 1.713) 11.340 14.759 ( -0.021 0.789 0.961) 1.244 15.132 ( -5.235 3.035 0.038) 6.052 15.319 ( -10.484 3.501 0.570) 11.068 15.435 ( 6.848 0.561 5.799) 8.992 16.036 ( 5.826 -5.420 -15.972) 17.844 16.442 ( -3.470 -4.975 -3.861) 7.191 16.508 ( 2.015 -4.278 2.661) 5.426 17.346 ( -1.487 0.303 3.671) 3.973 17.523 ( -2.417 -1.717 1.771) 3.454 18.086 ( 1.213 -0.991 1.309) 2.041 18.337 ( -2.792 -5.539 -3.887) 7.320 18.585 ( 1.744 0.879 -2.139) 2.896 18.685 ( 0.516 -1.430 0.713) 1.679 18.991 ( 0.576 0.257 -0.339) 0.716 19.185 ( -2.713 0.458 1.030) 2.938 26.195 ( -0.416 1.747 -2.424) 3.017 26.643 ( -3.526 -1.398 -1.195) 3.977 26.945 ( 4.406 -2.215 -0.095) 4.933 27.270 ( 5.480 -7.669 -1.627) 9.565 28.508 ( 0.235 3.146 -0.264) 3.166 28.652 ( 1.568 3.017 -3.264) 4.713 29.302 ( 8.870 -4.970 1.918) 10.347 29.885 ( 1.183 -16.423 3.735) 16.884 31.281 ( -1.557 2.445 -1.229) 3.148 31.323 ( 0.755 4.118 -7.463) 8.557 31.346 ( 5.297 3.951 -0.564) 6.632 31.888 ( -7.833 0.863 4.982) 9.324 32.085 ( -1.189 13.364 -1.795) 13.536 32.563 ( 6.581 0.906 14.542) 15.988 32.800 ( -9.427 23.209 -14.704) 29.047 33.941 ( -6.865 -7.569 6.217) 11.961 ======================= Grid point 110 (42/126) ======================= q-point: ( 0.38 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 24.169 15.523 6.781) 29.514 2.803 ( 17.154 16.029 21.372) 31.748 3.217 ( 13.667 5.442 -9.014) 17.253 3.629 ( 16.504 20.981 -12.735) 29.576 4.079 ( -7.406 10.542 6.948) 14.637 4.304 ( -1.138 1.510 -12.463) 12.606 4.585 ( -8.227 1.091 3.743) 9.104 5.017 ( 6.039 9.569 4.081) 12.029 5.037 ( -0.028 14.501 -4.810) 15.278 5.414 ( 1.737 -1.398 -0.191) 2.238 5.517 ( -2.686 -1.371 16.251) 16.529 5.990 ( 5.727 0.246 -8.941) 10.621 6.141 ( 1.387 -7.071 -1.421) 7.345 6.519 ( -1.332 2.264 10.677) 10.996 6.592 ( 3.374 -9.355 -8.481) 13.070 6.898 ( 2.413 -7.791 -3.310) 8.802 7.151 ( 0.004 -4.513 4.265) 6.209 7.336 ( 13.322 -3.797 -7.547) 15.775 7.601 ( -5.239 -10.128 1.482) 11.498 7.798 ( -8.710 -10.893 6.851) 15.539 8.118 ( 1.005 1.699 -12.558) 12.712 8.188 ( 1.481 -4.905 -4.709) 6.959 8.306 ( 12.484 -3.194 -2.614) 13.149 8.596 ( 9.963 -0.881 0.678) 10.025 8.779 ( 4.203 -0.934 -0.870) 4.392 9.000 ( 7.447 5.296 4.559) 10.212 9.213 ( -9.840 -5.237 -5.600) 12.475 9.242 ( 11.931 -2.686 -0.513) 12.240 9.475 ( -1.145 -4.601 3.032) 5.628 9.562 ( -6.230 -3.593 -0.005) 7.191 9.605 ( 4.723 6.835 9.994) 12.997 10.063 ( -5.699 7.254 -2.707) 9.614 10.240 ( 2.167 -3.239 -1.265) 4.097 10.367 ( -5.049 -7.920 2.263) 9.661 10.639 ( -2.867 -9.993 -0.901) 10.436 10.735 ( -3.578 -2.436 -6.948) 8.186 10.843 ( -8.664 -6.264 6.952) 12.752 10.965 ( -6.173 4.822 -4.286) 8.930 11.262 ( 0.028 2.334 1.725) 2.902 11.587 ( -9.137 9.115 4.483) 13.662 12.101 ( 4.656 6.672 -1.715) 8.315 12.250 ( -0.678 6.270 1.731) 6.540 12.552 ( -5.374 3.547 9.108) 11.154 12.995 ( -3.788 -0.458 -2.867) 4.772 13.476 ( 0.612 -2.008 0.701) 2.213 13.782 ( -3.478 -1.895 0.696) 4.022 14.555 ( 7.675 6.102 0.573) 9.821 14.721 ( -2.531 2.758 2.303) 4.395 15.024 ( -4.841 2.313 -2.054) 5.745 15.098 ( -8.944 4.508 -0.537) 10.031 15.609 ( 6.988 1.769 7.199) 10.188 16.105 ( 1.773 -4.846 -8.908) 10.294 16.363 ( -2.962 -2.641 -3.868) 5.542 16.538 ( 0.325 -5.580 1.049) 5.687 17.367 ( 3.108 -1.284 -0.207) 3.369 17.465 ( -2.804 -0.977 1.410) 3.287 18.099 ( -0.061 -0.985 1.272) 1.610 18.297 ( -1.048 -4.091 -3.814) 5.691 18.629 ( 1.461 0.087 0.794) 1.665 18.719 ( 2.881 -3.873 -2.852) 5.607 19.000 ( -0.012 -0.300 1.275) 1.309 19.124 ( -2.705 -0.078 0.399) 2.735 26.219 ( 2.161 1.934 0.499) 2.943 26.575 ( -2.716 -1.055 -1.982) 3.524 27.019 ( 2.760 -1.478 0.740) 3.218 27.332 ( 0.912 -4.817 -1.752) 5.206 28.514 ( 0.313 3.194 0.233) 3.218 28.684 ( 1.378 3.076 -4.757) 5.830 29.464 ( 6.257 -1.686 2.883) 7.093 29.779 ( -8.889 -6.736 9.641) 14.743 31.224 ( -1.653 0.966 -3.027) 3.582 31.339 ( 0.553 6.740 -8.106) 10.556 31.518 ( 7.987 2.214 -3.393) 8.956 31.730 ( -6.566 3.794 4.110) 8.626 32.137 ( 5.205 6.285 -1.434) 8.286 32.464 ( -9.180 13.918 3.825) 17.106 32.904 ( 11.284 -0.374 -0.936) 11.329 33.761 ( -9.397 -6.837 3.059) 12.016 ======================= Grid point 111 (43/126) ======================= q-point: (-0.50 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -7.744 9.129 9.606) 15.349 3.059 ( 5.034 27.090 5.620) 28.121 3.452 ( 5.770 9.441 0.650) 11.083 3.778 ( -8.168 -6.549 -1.447) 10.569 3.857 ( -7.660 16.637 -1.261) 18.359 4.350 ( 9.993 3.518 -16.933) 19.975 4.385 ( 3.011 3.450 3.662) 5.863 5.069 ( 2.088 25.423 4.428) 25.890 5.183 ( -9.192 0.831 9.626) 13.335 5.451 ( 12.796 5.064 -8.637) 16.248 5.632 ( 7.732 0.771 9.229) 12.064 6.008 ( -2.363 -6.698 -8.796) 11.306 6.184 ( -0.493 -1.843 -3.715) 4.177 6.432 ( -6.729 3.067 8.216) 11.054 6.637 ( 0.824 -9.332 -8.472) 12.631 6.840 ( -6.373 -11.828 6.676) 15.003 7.122 ( -1.862 0.949 3.822) 4.356 7.485 ( -4.195 -8.848 -4.449) 10.756 7.604 ( -1.427 -12.319 4.496) 13.192 7.629 ( 3.598 -7.217 0.489) 8.079 8.103 ( 0.278 -3.615 -4.404) 5.705 8.190 ( -2.924 -7.629 -10.838) 13.573 8.487 ( 5.753 -1.660 -1.154) 6.098 8.751 ( 0.796 -2.979 -0.391) 3.108 8.803 ( -0.106 -0.597 1.879) 1.975 8.954 ( -9.429 4.960 -9.847) 14.508 9.141 ( 1.594 -0.643 0.250) 1.737 9.393 ( -4.062 2.844 -7.102) 8.661 9.521 ( 9.747 3.293 1.319) 10.372 9.545 ( 3.089 -12.507 8.724) 15.559 9.765 ( 6.624 -0.090 3.530) 7.506 9.950 ( -3.685 9.098 4.274) 10.706 10.227 ( -2.328 -5.476 2.651) 6.514 10.366 ( 4.249 -1.236 0.523) 4.456 10.454 ( -11.635 -7.995 5.058) 14.996 10.625 ( -0.714 -7.700 0.435) 7.745 10.850 ( 5.191 0.334 -7.412) 9.055 10.951 ( 5.775 2.957 -3.298) 7.278 11.294 ( 2.926 -1.359 5.854) 6.685 11.443 ( -4.816 6.625 -0.439) 8.202 12.178 ( 1.336 5.049 -0.184) 5.226 12.242 ( 1.659 6.334 -1.201) 6.657 12.458 ( -3.759 6.061 10.489) 12.684 12.949 ( -0.328 -0.941 -2.956) 3.119 13.498 ( 1.986 -3.113 2.951) 4.727 13.727 ( -1.801 -0.755 -2.008) 2.802 14.646 ( -3.339 5.023 1.487) 6.212 14.693 ( 0.709 3.226 0.861) 3.413 14.907 ( -1.042 4.218 0.182) 4.349 15.048 ( 2.486 3.290 -3.231) 5.239 15.653 ( -3.558 2.464 4.323) 6.117 16.142 ( 2.085 -2.981 -4.947) 6.140 16.345 ( 1.717 -3.191 -0.761) 3.702 16.517 ( -2.286 -6.057 -1.441) 6.632 17.424 ( -0.615 -0.453 0.264) 0.808 17.456 ( 4.776 -3.297 0.782) 5.856 18.085 ( -1.236 -0.971 0.716) 1.727 18.285 ( -0.168 -3.663 -3.648) 5.173 18.639 ( -0.351 -0.278 0.916) 1.019 18.794 ( 3.834 -2.977 -4.335) 6.508 18.967 ( -3.314 -2.568 3.899) 5.725 19.098 ( 0.433 1.130 -0.668) 1.382 26.271 ( 2.492 1.808 2.909) 4.235 26.531 ( -1.373 -1.015 -3.297) 3.713 27.064 ( 1.318 -1.480 2.341) 3.067 27.316 ( -2.238 -3.874 -3.405) 5.623 28.521 ( 0.327 3.221 0.650) 3.302 28.703 ( 0.347 2.878 -5.984) 6.649 29.549 ( -2.665 -3.081 6.499) 7.670 29.575 ( -6.043 1.123 4.568) 7.658 31.210 ( -0.052 0.593 -5.061) 5.096 31.347 ( 0.698 5.161 -6.226) 8.117 31.569 ( -3.029 2.621 3.436) 5.278 31.738 ( 7.790 7.329 -0.743) 10.721 32.253 ( 4.498 3.525 -0.568) 5.743 32.286 ( -7.361 8.594 -1.054) 11.365 33.154 ( 12.189 -1.097 9.154) 15.283 33.582 ( -6.563 -6.216 -2.672) 9.426 ======================= Grid point 112 (44/126) ======================= q-point: (-0.38 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -23.943 12.832 7.103) 28.078 2.837 ( -23.455 24.704 15.864) 37.578 3.273 ( -14.842 9.618 -3.543) 18.037 3.556 ( -8.003 20.897 -15.571) 27.262 3.977 ( 8.836 -9.795 0.389) 13.197 4.583 ( 12.573 2.974 -14.207) 19.204 4.684 ( 9.208 0.140 9.431) 13.182 4.969 ( -6.260 27.221 5.386) 28.446 4.972 ( -7.442 3.557 8.347) 11.735 5.531 ( -2.686 -4.473 11.538) 12.663 5.782 ( -0.228 10.938 7.265) 13.133 5.938 ( -5.229 -8.484 -10.212) 14.269 6.085 ( -7.815 0.032 -3.136) 8.421 6.314 ( -0.294 3.942 -5.441) 6.725 6.661 ( 2.411 -7.216 -7.001) 10.339 6.700 ( -3.364 -7.950 0.965) 8.686 7.085 ( -2.061 0.879 1.546) 2.722 7.349 ( -8.611 -9.662 -1.873) 13.077 7.562 ( -0.075 -10.271 -3.299) 10.788 7.696 ( -1.216 -9.727 4.000) 10.588 8.057 ( -5.534 -9.607 -6.594) 12.900 8.134 ( -0.965 -12.411 -8.616) 15.140 8.571 ( 1.462 3.061 -2.359) 4.131 8.667 ( -9.166 0.490 -2.835) 9.607 8.768 ( -1.142 -2.298 5.515) 6.082 8.817 ( -2.848 0.838 -2.551) 3.915 9.096 ( -15.340 1.009 -0.592) 15.385 9.183 ( -5.158 4.283 4.065) 7.840 9.612 ( 4.473 -4.387 3.926) 7.394 9.717 ( 7.281 5.357 4.303) 10.011 9.800 ( 1.937 -4.131 1.131) 4.701 9.961 ( 0.838 0.909 0.981) 1.578 10.260 ( -2.250 -2.683 -0.121) 3.504 10.299 ( 7.324 -1.375 -0.940) 7.511 10.487 ( 2.893 -4.663 -1.896) 5.806 10.693 ( 7.333 -8.107 -1.738) 11.069 11.004 ( 6.978 4.778 -4.986) 9.817 11.173 ( 12.643 1.088 2.874) 13.011 11.306 ( -0.900 0.065 1.688) 1.914 11.466 ( 7.942 1.387 6.861) 10.587 12.170 ( -1.601 2.928 -2.021) 3.901 12.319 ( 5.264 8.714 -2.183) 10.411 12.388 ( -3.423 4.720 12.279) 13.592 12.974 ( 2.448 -0.554 -2.959) 3.880 13.567 ( 3.861 -6.001 4.520) 8.447 13.700 ( -0.412 0.121 -2.850) 2.882 14.556 ( -5.835 3.562 1.527) 7.004 14.613 ( -3.105 7.234 -1.565) 8.026 15.036 ( 9.157 2.931 -0.544) 9.630 15.132 ( 4.653 3.472 -0.819) 5.863 15.513 ( -7.680 1.491 3.652) 8.634 16.172 ( 0.557 0.502 -6.991) 7.031 16.425 ( 4.934 -4.240 1.691) 6.722 16.446 ( -4.147 -7.022 -3.096) 8.723 17.445 ( 2.466 -0.754 -0.386) 2.608 17.551 ( 3.854 -5.858 4.813) 8.505 18.052 ( -1.702 -0.877 -0.439) 1.964 18.286 ( 0.345 -3.826 -3.723) 5.349 18.628 ( -0.359 -0.391 0.054) 0.533 18.850 ( -0.814 2.900 -1.671) 3.444 18.902 ( -0.142 -7.273 1.321) 7.393 19.120 ( 1.170 2.250 0.376) 2.563 26.326 ( 2.785 1.379 4.976) 5.867 26.513 ( -0.419 -1.423 -5.624) 5.817 27.066 ( -1.519 -2.190 3.274) 4.221 27.236 ( -5.271 -3.724 -5.553) 8.514 28.527 ( 0.246 3.198 0.876) 3.325 28.693 ( -1.175 2.504 -6.698) 7.246 29.325 ( -11.739 -2.958 3.877) 12.712 29.555 ( -2.806 4.092 2.938) 5.766 31.200 ( -0.895 2.828 -4.911) 5.737 31.355 ( -0.513 2.775 -0.006) 2.822 31.570 ( 4.330 3.021 -3.134) 6.140 31.924 ( 9.276 8.809 2.621) 13.059 32.151 ( -5.447 3.623 -1.129) 6.638 32.288 ( -1.556 2.681 1.171) 3.314 33.435 ( 14.538 0.133 16.593) 22.061 33.516 ( 0.705 -5.909 -9.376) 11.105 ======================= Grid point 113 (45/126) ======================= q-point: (-0.25 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -28.085 17.284 11.278) 34.852 2.256 ( -29.119 24.398 23.512) 44.676 2.993 ( -10.622 5.607 -13.863) 18.343 3.477 ( -0.460 24.045 -25.004) 34.692 3.707 ( -34.696 17.331 25.344) 46.331 4.504 ( -12.474 3.756 0.111) 13.027 4.748 ( -3.684 -5.147 -2.944) 6.981 4.967 ( 6.869 8.441 1.864) 11.042 5.172 ( 17.068 -1.239 -3.556) 17.478 5.443 ( -4.035 -5.899 17.024) 18.464 5.675 ( -8.286 5.584 4.911) 11.134 5.808 ( -2.636 -2.082 -7.404) 8.130 5.988 ( 0.869 1.628 -4.378) 4.751 6.298 ( -2.424 9.792 -1.777) 10.243 6.568 ( -6.029 -7.440 -1.739) 9.733 6.954 ( 18.096 -5.430 -14.867) 24.041 7.028 ( -3.422 2.765 -0.942) 4.499 7.118 ( -12.188 -6.002 2.980) 13.908 7.524 ( -2.775 -9.089 -4.919) 10.700 7.635 ( -4.036 -11.915 -5.548) 13.750 7.933 ( -6.015 -7.436 -12.331) 15.605 8.116 ( 0.138 -16.801 1.368) 16.857 8.309 ( -22.976 -5.457 6.384) 24.463 8.560 ( -2.156 4.463 -2.712) 5.649 8.718 ( -5.384 4.174 7.355) 10.025 8.778 ( -2.657 -1.763 -1.125) 3.382 8.846 ( -1.133 0.781 8.189) 8.304 9.143 ( -1.831 9.408 -0.297) 9.589 9.685 ( 0.638 0.907 6.119) 6.218 9.829 ( 3.953 4.508 5.163) 7.913 9.867 ( 4.003 -6.860 -2.373) 8.290 10.020 ( 4.964 -5.340 -2.142) 7.599 10.278 ( 2.371 -3.273 -3.355) 5.253 10.410 ( 2.369 1.810 -2.251) 3.736 10.578 ( 6.174 -7.745 -5.973) 11.567 10.882 ( 9.488 -8.393 -0.925) 12.701 11.060 ( -1.194 10.593 -7.210) 12.869 11.239 ( 0.759 4.856 2.131) 5.357 11.552 ( 16.197 -5.450 6.034) 18.123 11.716 ( 14.795 -0.356 15.292) 21.281 12.122 ( -2.221 6.134 -1.494) 6.692 12.297 ( -4.798 5.006 10.341) 12.451 12.459 ( 6.723 4.087 -2.258) 8.186 13.033 ( 2.635 -0.108 -3.525) 4.402 13.585 ( -2.597 -7.088 -0.280) 7.554 13.766 ( 6.586 -3.556 2.934) 8.039 14.424 ( -5.788 5.646 3.664) 8.878 14.608 ( 2.110 8.751 -3.566) 9.682 15.192 ( 3.961 2.160 1.469) 4.745 15.239 ( 5.820 3.104 -1.797) 6.837 15.408 ( -1.180 1.035 3.443) 3.784 16.140 ( -4.470 -0.671 -11.112) 11.996 16.363 ( -2.716 -6.227 -2.209) 7.144 16.523 ( 3.854 -4.109 1.053) 5.731 17.510 ( 3.079 -2.588 0.969) 4.137 17.612 ( 1.627 -9.397 8.608) 12.847 18.020 ( -1.150 -0.534 -1.112) 1.687 18.308 ( 2.261 -4.007 -4.503) 6.438 18.633 ( 0.881 -0.625 -1.347) 1.727 18.799 ( -1.126 4.782 3.728) 6.167 18.944 ( 2.146 -3.893 -2.644) 5.172 19.134 ( 0.029 3.421 0.622) 3.477 26.397 ( 3.832 0.739 6.399) 7.495 26.496 ( -1.803 -2.722 -10.131) 10.644 26.981 ( -6.996 -4.088 1.538) 8.247 27.092 ( -8.077 -2.609 -5.593) 10.165 28.530 ( -0.049 3.122 0.834) 3.232 28.648 ( -2.955 2.087 -7.073) 7.945 29.073 ( -11.880 -2.176 2.803) 12.398 29.451 ( -6.556 5.799 -0.968) 8.806 31.177 ( -0.959 4.094 -2.476) 4.880 31.335 ( -0.918 4.448 0.202) 4.546 31.718 ( 8.348 -0.893 -4.174) 9.376 32.040 ( -5.799 -2.855 5.336) 8.381 32.121 ( 8.908 11.990 4.207) 15.518 32.219 ( -3.216 3.347 -2.604) 5.322 33.594 ( 6.341 -6.520 -10.767) 14.094 33.797 ( 19.574 1.720 19.734) 27.848 ======================= Grid point 114 (46/126) ======================= q-point: (-0.12 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -18.838 22.998 22.804) 37.467 1.664 ( -26.950 26.681 27.562) 46.881 2.674 ( -31.537 29.876 28.929) 52.192 3.020 ( -10.575 12.320 -9.955) 19.046 3.498 ( 2.006 18.667 -30.359) 35.695 4.242 ( -10.168 2.175 2.946) 10.807 4.554 ( -11.574 -7.052 -0.599) 13.566 5.067 ( 3.453 10.894 -12.652) 17.049 5.325 ( -5.811 -1.134 23.394) 24.132 5.560 ( -0.832 4.633 1.409) 4.913 5.605 ( 17.154 -13.767 -4.640) 22.479 5.827 ( 3.769 1.771 -7.013) 8.157 6.050 ( 2.960 -2.546 -1.942) 4.361 6.298 ( 3.193 10.670 -2.824) 11.490 6.417 ( -6.678 -3.429 -2.302) 7.852 6.823 ( -13.248 -1.160 2.143) 13.470 6.942 ( -5.746 4.531 5.009) 8.868 7.331 ( 14.060 -2.958 -11.548) 18.434 7.502 ( -1.102 -10.483 -10.777) 15.075 7.535 ( -3.499 -10.591 -6.015) 12.673 7.777 ( -7.126 -0.283 -6.887) 9.915 7.915 ( -10.061 -11.429 0.620) 15.239 8.139 ( 1.542 -18.316 6.588) 19.526 8.499 ( -3.494 2.472 -0.997) 4.394 8.623 ( -3.872 2.258 9.846) 10.819 8.700 ( -3.852 1.848 -0.564) 4.309 8.870 ( 1.149 1.642 10.022) 10.220 9.091 ( -2.709 12.580 1.041) 12.911 9.634 ( -4.551 3.959 7.112) 9.326 9.937 ( 5.761 -6.239 2.919) 8.980 9.939 ( 2.591 0.135 -2.210) 3.408 10.114 ( 3.015 -6.954 -2.235) 7.902 10.273 ( -3.787 0.773 -7.882) 8.779 10.459 ( 2.767 -2.861 1.088) 4.126 10.713 ( 6.636 -9.080 -8.414) 14.046 10.957 ( -1.804 3.394 -9.543) 10.288 11.147 ( 9.310 4.574 -2.664) 10.710 11.239 ( -1.525 4.705 2.066) 5.360 11.878 ( 12.532 -10.567 10.676) 19.562 11.952 ( 2.240 -6.935 16.898) 18.402 12.104 ( 0.991 6.815 1.372) 7.022 12.310 ( 11.177 11.442 8.204) 17.976 12.579 ( 4.977 0.747 -2.782) 5.750 13.046 ( -3.033 -3.220 -3.540) 5.665 13.519 ( -2.682 -7.880 1.733) 8.502 13.912 ( 6.276 -9.370 -2.067) 11.466 14.330 ( -2.704 7.050 2.953) 8.107 14.712 ( 7.957 11.102 2.342) 13.859 15.259 ( 2.304 1.119 1.953) 3.221 15.287 ( -1.772 -0.022 -3.282) 3.730 15.446 ( 2.839 3.466 0.962) 4.583 15.950 ( -12.773 -3.501 -10.858) 17.126 16.341 ( 0.136 -2.642 -0.996) 2.826 16.578 ( 1.270 -4.477 -0.129) 4.655 17.561 ( 1.525 -5.892 3.832) 7.192 17.618 ( -1.362 -12.572 9.355) 15.730 18.012 ( 0.510 -0.475 0.117) 0.707 18.378 ( 3.470 -7.669 -5.488) 10.049 18.646 ( 0.111 -1.812 -1.016) 2.080 18.883 ( 8.412 13.614 -3.011) 16.284 18.989 ( 4.376 -1.163 1.479) 4.764 19.118 ( -1.766 5.479 -1.127) 5.866 26.362 ( -11.231 -4.058 -13.980) 18.386 26.487 ( 3.221 0.934 6.363) 7.192 26.803 ( -7.591 -3.779 -0.256) 8.483 26.906 ( -8.456 -0.002 -2.051) 8.702 28.524 ( -0.535 3.027 0.246) 3.084 28.567 ( -4.134 2.391 -5.675) 7.417 28.851 ( -8.101 1.101 6.738) 10.594 29.317 ( -4.718 6.508 -6.241) 10.177 31.164 ( -0.217 4.463 -0.215) 4.473 31.319 ( -0.788 4.955 -1.351) 5.196 31.848 ( -2.480 -4.271 6.590) 8.236 31.922 ( 0.925 -5.677 1.052) 5.847 32.179 ( 0.116 3.402 -1.614) 3.767 32.300 ( 6.207 13.090 1.037) 14.524 33.754 ( 8.350 -8.086 -6.023) 13.091 34.237 ( 18.149 -1.418 9.499) 20.534 ======================= Grid point 115 (47/126) ======================= q-point: ( 0.00 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.648 30.806 19.392) 36.407 2.065 ( 0.135 44.210 14.119) 46.410 3.061 ( 3.958 13.379 -12.082) 18.456 3.358 ( -9.769 54.020 16.535) 57.332 3.763 ( 0.609 12.306 -26.833) 29.527 4.198 ( 2.192 1.135 6.759) 7.196 4.372 ( 0.014 4.001 -1.848) 4.407 5.124 ( -6.755 -1.535 24.005) 24.984 5.289 ( 0.073 -0.901 -0.101) 0.910 5.614 ( 1.021 -4.231 3.895) 5.841 5.690 ( 4.800 -2.180 -5.520) 7.633 5.998 ( 1.773 -5.892 -0.169) 6.156 6.015 ( 8.160 11.763 -16.949) 22.186 6.257 ( 0.329 -7.937 -3.051) 8.510 6.444 ( -1.857 -2.182 -0.157) 2.870 6.704 ( -3.516 8.450 -1.532) 9.280 6.986 ( -4.398 11.424 -3.392) 12.702 7.137 ( -5.873 -13.718 -6.428) 16.248 7.285 ( -1.884 -8.437 -4.975) 9.974 7.494 ( 0.565 -10.167 -2.794) 10.559 7.631 ( 6.492 -4.668 -1.556) 8.146 7.699 ( 7.567 -13.275 0.483) 15.288 7.879 ( 5.672 -11.751 2.946) 13.377 8.428 ( -4.245 -0.826 -2.063) 4.791 8.646 ( -0.621 4.893 11.208) 12.245 8.747 ( -2.107 4.985 1.767) 5.693 8.866 ( 1.529 -2.630 2.669) 4.047 9.317 ( 0.024 12.246 -2.264) 12.454 9.555 ( -2.295 -4.489 12.103) 13.111 9.784 ( -4.425 -9.634 -0.800) 10.632 9.875 ( 2.192 -11.114 1.848) 11.478 10.126 ( 4.693 -1.378 -1.245) 5.047 10.209 ( -7.387 1.027 -2.969) 8.028 10.400 ( 1.349 -0.833 1.793) 2.394 10.666 ( 6.184 -8.867 -7.479) 13.145 10.985 ( -1.159 -0.562 -6.744) 6.866 11.205 ( -5.537 -0.044 1.670) 5.784 11.276 ( -1.096 -8.288 7.621) 11.313 11.502 ( -7.690 -10.393 4.299) 13.625 12.037 ( 9.401 -8.499 -4.959) 13.609 12.274 ( 0.785 1.380 3.801) 4.119 12.338 ( -5.414 -6.089 2.742) 8.597 12.788 ( -3.303 5.442 3.012) 7.042 12.887 ( 3.878 9.624 1.755) 10.524 13.473 ( 0.067 2.847 1.823) 3.382 13.994 ( 8.487 -0.824 -15.605) 17.782 14.537 ( 4.580 9.291 2.779) 10.725 14.829 ( -9.844 4.222 4.959) 11.804 15.233 ( 1.707 -1.390 1.885) 2.898 15.410 ( 4.398 4.872 -0.564) 6.588 15.522 ( -0.590 -1.895 2.484) 3.180 15.728 ( -4.010 3.007 2.573) 5.634 16.346 ( -0.721 0.469 -4.580) 4.660 16.470 ( 0.668 -6.429 -1.914) 6.741 17.399 ( -0.268 -3.857 5.814) 6.982 17.524 ( -0.604 -3.448 0.947) 3.626 18.010 ( 0.793 -1.260 -0.159) 1.498 18.202 ( 0.372 -10.766 -4.128) 11.536 18.629 ( 0.822 -1.291 2.162) 2.649 18.930 ( -1.755 -0.419 -4.099) 4.479 19.067 ( -2.662 -0.595 0.542) 2.781 19.319 ( 0.361 2.854 -9.182) 9.622 26.297 ( 8.428 -0.545 2.537) 8.818 26.462 ( -7.547 1.306 -2.306) 7.999 26.705 ( 3.665 -2.560 1.872) 4.847 26.811 ( -0.187 -0.308 -1.109) 1.166 28.593 ( -0.569 5.006 -0.368) 5.052 28.613 ( 2.524 3.947 -1.916) 5.062 28.827 ( 0.411 2.440 8.579) 8.929 29.333 ( 2.257 -2.133 -6.555) 7.253 31.286 ( 0.583 6.861 -0.046) 6.886 31.388 ( -1.363 5.077 -1.471) 5.459 31.596 ( -7.021 -0.505 11.762) 13.708 32.066 ( 8.290 3.177 -4.080) 9.771 32.191 ( -2.152 0.583 4.742) 5.240 32.634 ( -2.644 14.955 -5.779) 16.249 33.724 ( 5.903 -9.978 5.170) 12.694 34.231 ( -11.188 -1.363 -9.424) 14.692 ======================= Grid point 116 (48/126) ======================= q-point: ( 0.12 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 23.461 25.959 15.393) 38.226 2.267 ( 17.515 39.662 12.255) 45.056 3.158 ( 5.438 21.335 -3.512) 22.296 3.364 ( 9.892 43.334 0.550) 44.452 3.851 ( 7.919 10.320 -16.186) 20.765 4.354 ( 9.781 4.890 -5.474) 12.229 4.484 ( 10.933 4.037 4.173) 12.379 4.986 ( -5.433 4.536 13.186) 14.966 5.316 ( 1.888 -4.507 6.221) 7.910 5.525 ( -6.362 -4.659 2.697) 8.334 5.784 ( -0.919 -5.481 4.626) 7.231 6.031 ( 2.984 -4.519 -1.988) 5.769 6.090 ( -2.714 0.493 -2.735) 3.884 6.348 ( 4.332 4.631 -3.869) 7.428 6.469 ( 2.948 -1.165 -6.264) 7.020 6.538 ( -3.215 10.583 -7.327) 13.268 6.913 ( -3.752 0.448 -3.855) 5.398 7.048 ( -0.464 -5.326 -5.941) 7.992 7.323 ( 5.813 -10.038 -3.447) 12.101 7.543 ( 3.555 -16.535 -1.766) 17.005 7.770 ( 6.915 -5.970 -6.455) 11.186 7.915 ( 10.171 -12.004 4.368) 16.329 8.003 ( 3.957 -11.089 4.315) 12.540 8.350 ( -2.508 -1.917 1.821) 3.644 8.634 ( 0.914 1.370 5.624) 5.860 8.713 ( -0.617 5.398 -0.602) 5.466 8.942 ( 4.842 -0.338 2.409) 5.419 9.318 ( -0.340 4.380 1.574) 4.667 9.538 ( -0.002 2.629 10.706) 11.024 9.643 ( -7.107 -9.901 -0.596) 12.202 9.898 ( -3.428 -4.616 -1.143) 5.862 10.056 ( -3.570 -5.095 -0.576) 6.248 10.198 ( 2.097 -2.180 -4.032) 5.040 10.423 ( -0.065 -0.532 1.124) 1.245 10.750 ( 1.022 -7.206 -1.989) 7.545 10.898 ( -8.001 -1.369 -12.435) 14.850 11.019 ( -10.940 -6.820 9.387) 15.947 11.194 ( -0.939 -4.307 2.653) 5.145 11.399 ( -4.775 -1.084 -0.117) 4.898 12.111 ( -0.948 1.487 0.089) 1.766 12.219 ( -5.378 -11.676 0.013) 12.855 12.361 ( 2.851 9.522 1.764) 10.095 12.676 ( -1.493 3.162 1.941) 4.000 13.024 ( 5.229 4.337 1.417) 6.940 13.457 ( -1.357 3.377 1.459) 3.921 14.056 ( -4.353 1.369 -6.084) 7.605 14.592 ( -2.955 10.412 5.556) 12.166 14.720 ( 5.273 3.964 1.640) 6.797 15.232 ( -1.260 -0.927 0.255) 1.585 15.422 ( -2.556 3.868 3.256) 5.666 15.591 ( -3.596 0.031 0.318) 3.610 15.690 ( 8.555 -2.822 -3.858) 9.800 16.318 ( -1.543 -4.776 -0.803) 5.083 16.482 ( 0.260 -2.323 -4.569) 5.132 17.386 ( -1.303 -1.533 5.477) 5.835 17.509 ( -0.875 -3.104 0.654) 3.290 18.032 ( 1.253 -1.537 0.242) 1.998 18.204 ( -0.133 -10.090 -3.700) 10.748 18.632 ( -0.490 -0.748 1.997) 2.188 18.805 ( -9.568 2.740 -6.538) 11.908 19.012 ( -1.086 2.206 0.173) 2.465 19.249 ( -3.996 -0.036 -2.069) 4.500 26.291 ( -4.921 1.987 -3.913) 6.594 26.593 ( 8.777 -7.712 4.119) 12.388 26.740 ( 3.640 -1.721 -0.963) 4.140 26.929 ( 9.143 -3.558 -0.666) 9.833 28.586 ( -0.054 4.990 -0.639) 5.031 28.684 ( 2.606 3.763 -2.563) 5.246 28.948 ( 10.608 -2.745 8.036) 13.588 29.465 ( 9.418 -6.563 -4.104) 12.191 31.304 ( 1.355 5.225 -1.779) 5.684 31.378 ( 0.456 4.933 -2.518) 5.558 31.483 ( -3.654 4.272 7.444) 9.328 32.077 ( -5.605 4.217 4.685) 8.435 32.301 ( 10.650 -2.034 1.474) 10.942 32.520 ( -6.877 16.123 -5.661) 18.420 33.721 ( -16.722 8.646 -3.242) 19.102 33.855 ( -9.631 -5.429 -0.088) 11.057 ======================= Grid point 117 (49/126) ======================= q-point: ( 0.25 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 21.717 20.270 12.436) 32.205 2.734 ( 24.014 30.746 12.647) 41.012 3.298 ( 7.935 19.231 -7.127) 21.990 3.734 ( 22.086 36.033 -6.945) 42.830 4.068 ( 11.515 8.690 -7.444) 16.234 4.500 ( 3.463 12.293 -5.686) 13.980 4.785 ( 11.558 7.369 0.173) 13.708 4.918 ( 1.279 3.439 4.335) 5.679 5.300 ( -3.121 0.614 7.902) 8.518 5.478 ( 2.657 -10.529 6.159) 12.484 5.602 ( -13.704 7.495 9.538) 18.302 5.989 ( -3.967 1.827 -5.793) 7.255 6.095 ( -1.690 1.407 0.001) 2.199 6.239 ( -1.424 -8.493 -1.164) 8.690 6.561 ( 5.338 0.439 -3.899) 6.625 6.765 ( 7.031 3.732 -12.521) 14.837 6.838 ( 2.766 -13.510 -0.308) 13.793 7.109 ( 5.524 -1.362 -4.861) 7.483 7.444 ( 2.533 -11.260 -0.590) 11.556 7.605 ( 0.963 -17.268 4.095) 17.773 7.913 ( 4.489 -7.989 -2.385) 9.469 8.010 ( 5.427 -0.088 -8.850) 10.382 8.183 ( 11.637 -13.675 4.729) 18.569 8.317 ( -0.454 0.174 5.151) 5.174 8.724 ( 2.695 2.613 -1.310) 3.976 8.743 ( 8.109 -6.098 1.517) 10.258 9.055 ( 5.869 1.514 -0.189) 6.064 9.286 ( -3.641 -4.641 6.996) 9.150 9.436 ( -6.694 -3.574 2.884) 8.118 9.600 ( -0.801 -2.462 3.391) 4.266 9.737 ( -7.543 -0.734 -0.065) 7.579 10.086 ( 3.887 -4.227 -2.360) 6.208 10.219 ( 0.094 -0.210 -2.995) 3.004 10.373 ( -4.669 -2.436 2.179) 5.700 10.632 ( -12.520 -7.160 -2.845) 14.700 10.737 ( -1.837 -1.429 -3.936) 4.572 10.871 ( -6.412 -5.813 7.558) 11.490 11.163 ( -4.514 -0.068 -4.869) 6.640 11.305 ( -2.100 -0.685 -1.185) 2.507 12.005 ( -12.987 2.052 -2.539) 13.391 12.135 ( 3.729 5.626 -0.881) 6.807 12.396 ( -0.221 6.615 3.571) 7.521 12.678 ( -0.087 2.255 4.502) 5.036 13.076 ( -1.058 1.607 -0.621) 2.021 13.437 ( -0.162 1.233 1.643) 2.061 13.885 ( -8.628 1.183 1.286) 8.803 14.607 ( 3.395 9.863 2.912) 10.830 14.782 ( -0.091 1.534 0.519) 1.622 15.203 ( -3.054 3.946 -0.395) 5.005 15.383 ( -5.771 2.350 0.218) 6.236 15.476 ( 2.082 4.165 6.001) 7.596 15.899 ( 7.699 -7.875 -8.317) 13.800 16.286 ( -1.303 -8.447 -0.995) 8.605 16.478 ( -0.523 -0.523 -4.361) 4.424 17.353 ( -1.399 0.399 4.001) 4.257 17.483 ( -1.667 -2.329 0.658) 2.939 18.059 ( 1.156 -1.741 0.514) 2.153 18.195 ( -0.529 -8.370 -2.802) 8.842 18.613 ( -1.049 1.230 -3.617) 3.962 18.661 ( -2.553 -0.607 0.818) 2.749 19.005 ( -0.015 1.320 -0.127) 1.326 19.174 ( -3.386 -1.714 0.288) 3.805 26.242 ( 0.028 2.972 -2.230) 3.716 26.605 ( -2.519 -2.492 0.447) 3.571 26.885 ( 6.053 -3.798 0.027) 7.146 27.115 ( 7.117 -7.429 -0.566) 10.304 28.589 ( 0.308 5.073 -0.296) 5.091 28.726 ( 1.816 4.433 -3.081) 5.696 29.192 ( 10.951 -5.581 6.022) 13.687 29.644 ( 5.472 -9.267 1.692) 10.894 31.315 ( -2.176 1.849 -1.711) 3.328 31.399 ( 3.082 3.888 -9.616) 10.820 31.482 ( 3.452 9.086 4.802) 10.841 31.942 ( -6.354 4.180 5.589) 9.438 32.384 ( -4.702 16.611 -3.202) 17.558 32.545 ( 11.409 -0.833 5.958) 12.898 33.238 ( -21.053 18.943 -11.631) 30.616 33.749 ( -6.325 -11.703 7.128) 15.092 ======================= Grid point 118 (50/126) ======================= q-point: ( 0.38 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 14.960 13.744 9.078) 22.251 3.219 ( 20.547 24.080 12.382) 33.991 3.492 ( 10.214 20.158 -7.787) 23.902 4.108 ( 7.989 28.640 -3.587) 29.949 4.221 ( 3.122 6.573 -4.875) 8.759 4.452 ( -6.207 8.526 -0.682) 10.568 4.728 ( -11.276 15.817 -0.652) 19.436 5.217 ( 19.264 11.972 -2.569) 22.826 5.350 ( 5.084 -2.418 0.540) 5.656 5.386 ( -0.552 13.598 11.439) 17.778 5.492 ( -1.596 0.053 -3.645) 3.980 5.965 ( -4.931 -2.999 -3.931) 6.983 6.046 ( 6.244 0.224 -1.630) 6.457 6.299 ( 3.919 -15.756 -4.954) 16.975 6.624 ( -0.461 3.377 0.275) 3.420 6.701 ( -4.970 -10.959 -0.917) 12.068 7.043 ( 8.448 -8.118 -1.581) 11.823 7.242 ( 5.519 -5.127 -0.518) 7.550 7.391 ( -4.676 -10.366 5.005) 12.425 7.535 ( -7.220 -15.867 8.131) 19.235 7.998 ( 3.935 -7.453 -5.214) 9.910 8.087 ( -1.704 -5.735 -4.310) 7.374 8.351 ( 5.332 -2.800 -2.617) 6.567 8.500 ( 14.428 -2.565 -0.201) 14.656 8.759 ( 0.896 -3.446 -3.692) 5.129 8.969 ( 6.888 -13.283 1.395) 15.028 9.118 ( -0.744 0.441 3.333) 3.443 9.239 ( 3.919 0.270 -3.004) 4.945 9.385 ( 2.257 -6.068 11.308) 13.031 9.494 ( -5.065 -1.617 -7.271) 9.008 9.682 ( 0.469 0.525 7.845) 7.877 10.155 ( 0.186 -1.098 -4.735) 4.865 10.218 ( 1.409 3.511 3.593) 5.218 10.244 ( -6.747 -3.064 3.009) 7.998 10.447 ( -4.502 -8.964 -0.046) 10.031 10.672 ( -9.643 -4.666 5.516) 12.050 10.721 ( -1.525 -3.959 -4.481) 6.171 11.049 ( -4.140 3.314 -8.475) 9.997 11.282 ( -1.188 -0.398 -0.278) 1.284 11.737 ( -11.025 4.771 -3.147) 12.418 12.249 ( 5.689 7.144 -1.882) 9.324 12.343 ( -3.691 2.998 3.622) 5.978 12.668 ( -1.019 8.043 6.855) 10.617 13.004 ( -4.107 2.262 -0.862) 4.767 13.438 ( -0.282 -1.715 2.317) 2.896 13.753 ( -3.674 -0.995 -0.681) 3.867 14.689 ( 3.818 6.955 2.055) 8.196 14.788 ( 1.282 4.055 0.095) 4.254 15.099 ( -6.029 5.311 -0.445) 8.046 15.199 ( -7.588 5.681 -1.222) 9.557 15.654 ( 9.359 2.489 7.804) 12.437 15.972 ( 0.015 -7.615 -3.770) 8.498 16.277 ( 0.665 -7.198 -5.796) 9.266 16.455 ( -1.728 -1.689 -2.718) 3.637 17.349 ( 1.100 -0.487 2.175) 2.486 17.442 ( -1.915 -1.268 0.653) 2.388 18.072 ( -0.050 -1.783 0.579) 1.875 18.187 ( -0.184 -6.923 -2.288) 7.294 18.619 ( 1.403 -1.250 -1.918) 2.685 18.651 ( 0.860 -2.347 -0.353) 2.524 19.003 ( -0.555 0.556 1.455) 1.653 19.105 ( -2.708 -2.066 -0.639) 3.466 26.270 ( 2.199 3.268 0.190) 3.944 26.551 ( -2.358 -1.351 -0.911) 2.866 26.979 ( 3.175 -2.613 0.481) 4.140 27.212 ( 2.210 -7.190 -1.215) 7.620 28.597 ( 0.391 5.227 0.245) 5.248 28.759 ( 1.249 4.454 -4.269) 6.294 29.391 ( 7.223 -5.671 6.583) 11.299 29.669 ( -2.567 -4.694 3.965) 6.660 31.258 ( -2.142 2.404 -2.115) 3.853 31.450 ( 1.068 4.127 -11.840) 12.584 31.594 ( 5.309 6.076 5.543) 9.789 31.849 ( -1.268 8.032 0.974) 8.189 32.335 ( 0.134 13.650 -0.219) 13.653 32.708 ( -2.991 8.662 10.803) 14.166 32.941 ( -0.264 6.100 -11.657) 13.160 33.584 ( -8.673 -11.068 3.744) 14.552 ======================= Grid point 119 (51/126) ======================= q-point: (-0.50 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -2.929 12.530 7.245) 14.767 3.580 ( 10.369 9.562 2.838) 14.388 3.655 ( 1.474 23.092 -4.766) 23.625 3.890 ( -13.160 26.294 13.979) 32.557 4.337 ( -9.717 25.027 -1.213) 26.875 4.460 ( 11.027 8.329 -15.087) 20.460 4.481 ( 0.878 8.584 1.076) 8.695 5.221 ( -9.714 2.072 12.444) 15.922 5.467 ( 2.108 -1.169 6.776) 7.193 5.561 ( 7.641 21.009 -10.696) 24.783 5.728 ( 18.425 7.613 -14.479) 24.639 5.852 ( -2.900 -6.803 -4.709) 8.767 6.170 ( 0.951 1.735 -0.658) 2.085 6.349 ( -1.301 -15.101 -1.170) 15.202 6.549 ( -4.025 3.109 -0.142) 5.087 6.619 ( -2.135 -9.657 2.282) 10.150 7.113 ( -2.123 -1.367 4.467) 5.132 7.201 ( -4.564 -18.926 8.056) 21.069 7.347 ( -7.409 -14.424 3.570) 16.604 7.476 ( 6.404 -8.559 -0.372) 10.695 7.975 ( -5.855 -6.648 -4.892) 10.120 8.030 ( -3.255 -8.016 -5.871) 10.456 8.458 ( 4.318 -6.692 0.665) 7.992 8.682 ( 0.308 -3.525 -3.909) 5.273 8.753 ( 1.439 -3.848 1.875) 4.516 8.925 ( -3.630 -8.522 -3.513) 9.906 9.156 ( -1.887 1.474 -3.619) 4.339 9.304 ( 3.403 -10.707 9.793) 14.904 9.417 ( -4.512 -1.458 -6.486) 8.034 9.572 ( 11.352 0.166 6.572) 13.118 9.773 ( 5.400 1.217 -0.924) 5.612 10.046 ( -6.913 -0.856 4.842) 8.483 10.184 ( 2.152 1.164 5.062) 5.622 10.257 ( -0.411 -5.066 3.501) 6.171 10.386 ( -2.946 -1.743 0.068) 3.423 10.471 ( -4.184 -5.101 1.656) 6.802 10.802 ( 9.191 -4.967 -7.258) 12.721 11.039 ( 4.182 5.031 -6.295) 9.079 11.255 ( -1.234 -2.300 2.708) 3.761 11.568 ( -4.676 5.127 -5.858) 9.081 12.231 ( -2.887 1.247 2.791) 4.205 12.405 ( 5.614 8.226 -2.636) 10.302 12.623 ( -3.612 9.969 8.664) 13.693 12.952 ( -0.311 2.151 -1.062) 2.419 13.435 ( 0.455 -3.233 3.378) 4.697 13.710 ( -0.966 -0.928 -2.870) 3.167 14.761 ( -0.274 6.335 0.935) 6.409 14.771 ( -2.051 4.642 0.990) 5.171 15.013 ( 0.310 6.491 0.246) 6.503 15.132 ( 1.400 5.146 -2.406) 5.850 15.720 ( -4.876 4.279 3.598) 7.418 16.018 ( 6.126 -8.496 3.876) 11.168 16.300 ( 1.436 -4.729 -6.976) 8.549 16.399 ( -3.467 -2.899 -3.698) 5.839 17.388 ( 1.782 -2.809 2.197) 3.987 17.419 ( 0.390 -0.540 0.324) 0.741 18.058 ( -1.165 -1.767 0.245) 2.131 18.182 ( -0.293 -6.569 -2.224) 6.941 18.629 ( -0.406 -0.486 0.018) 0.634 18.703 ( 3.446 -5.332 -2.180) 6.713 18.963 ( -2.900 1.164 2.326) 3.896 19.089 ( 1.195 -1.868 -1.043) 2.450 26.319 ( 2.161 3.084 2.225) 4.374 26.510 ( -1.477 -1.051 -2.262) 2.899 27.024 ( 0.973 -2.538 1.675) 3.193 27.215 ( -1.719 -6.433 -2.637) 7.161 28.605 ( 0.344 5.325 0.698) 5.382 28.772 ( -0.009 4.122 -5.275) 6.694 29.442 ( -4.325 -6.267 8.574) 11.467 29.614 ( -0.419 0.895 1.477) 1.777 31.239 ( 0.429 2.270 -3.504) 4.197 31.444 ( -1.119 4.325 -7.054) 8.350 31.642 ( -0.059 4.904 5.070) 7.054 31.932 ( 8.013 12.131 -2.394) 14.734 32.355 ( -0.081 7.698 2.320) 8.041 32.508 ( -9.342 13.197 -1.744) 16.263 33.136 ( 12.823 -0.449 5.416) 13.927 33.419 ( -5.986 -10.323 -1.823) 12.071 ======================= Grid point 120 (52/126) ======================= q-point: (-0.38 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -18.916 19.583 5.978) 27.875 3.259 ( -25.080 14.304 14.558) 32.335 3.572 ( -11.378 24.247 -5.170) 27.278 3.987 ( 4.406 24.256 -6.145) 25.407 4.160 ( 1.848 25.081 -6.590) 25.998 4.603 ( 6.316 -0.046 -4.123) 7.543 4.727 ( 8.624 4.510 -2.456) 10.037 5.050 ( -3.383 3.757 8.931) 10.263 5.373 ( -9.056 4.549 11.091) 15.024 5.553 ( -11.858 16.151 6.462) 21.052 5.763 ( -3.548 -8.631 -10.016) 13.689 6.025 ( -0.700 11.663 1.717) 11.809 6.087 ( -4.839 1.145 0.109) 4.974 6.280 ( 3.414 -10.000 -10.924) 15.198 6.561 ( 6.881 -2.226 -7.044) 10.096 6.599 ( -1.240 0.971 1.847) 2.427 7.052 ( -3.612 -11.998 6.143) 13.955 7.106 ( -3.875 -6.736 0.313) 7.777 7.281 ( 0.549 -16.756 -2.127) 16.899 7.500 ( -4.741 -12.380 6.847) 14.920 7.842 ( -5.918 -8.255 -6.983) 12.326 7.937 ( -4.047 -8.876 -9.472) 13.597 8.488 ( -3.918 -11.278 2.388) 12.176 8.638 ( -2.055 -3.910 -4.083) 6.015 8.748 ( -6.203 -2.333 -1.989) 6.919 8.839 ( -0.710 0.962 0.051) 1.196 9.140 ( -6.533 1.302 -2.091) 6.982 9.195 ( -4.665 -1.452 10.885) 11.931 9.438 ( 6.376 -11.593 3.915) 13.798 9.731 ( -0.681 -3.612 5.928) 6.975 9.811 ( 6.250 2.702 -4.252) 8.027 9.966 ( -3.272 -0.093 1.694) 3.686 10.206 ( -0.944 -3.070 1.470) 3.532 10.312 ( 6.490 2.132 5.003) 8.467 10.385 ( 2.782 -4.753 -2.344) 5.986 10.520 ( 7.009 -7.318 -0.738) 10.160 11.071 ( 13.740 -3.151 -3.113) 14.437 11.205 ( 7.495 5.407 0.882) 9.284 11.225 ( 1.083 -6.387 1.170) 6.583 11.549 ( 3.581 5.094 -7.966) 10.111 12.214 ( 0.882 1.248 -1.336) 2.030 12.494 ( 2.179 9.049 -0.266) 9.312 12.529 ( -4.393 8.072 9.193) 12.999 12.985 ( 2.963 2.690 -1.009) 4.127 13.460 ( 1.319 -4.498 3.713) 5.980 13.703 ( 0.552 0.119 -2.790) 2.847 14.645 ( -5.277 5.389 1.227) 7.642 14.766 ( -1.244 7.867 -0.860) 8.011 15.112 ( 7.279 4.681 0.195) 8.657 15.219 ( 5.622 5.248 -0.957) 7.750 15.554 ( -8.612 2.666 3.690) 9.741 16.140 ( 3.142 -4.363 2.687) 6.011 16.275 ( -4.276 -9.827 -3.508) 11.277 16.377 ( 2.909 0.219 -7.026) 7.607 17.409 ( 0.698 -3.460 2.429) 4.285 17.459 ( 2.385 -2.550 1.848) 3.950 18.029 ( -1.437 -1.565 -0.541) 2.193 18.173 ( -0.368 -7.072 -2.495) 7.508 18.615 ( -0.719 -0.798 -1.034) 1.491 18.771 ( 2.812 -5.669 0.810) 6.380 18.921 ( -0.301 3.770 -0.176) 3.786 19.128 ( 1.926 -1.433 0.044) 2.401 26.363 ( 2.041 2.323 4.056) 5.101 26.484 ( -1.055 -1.324 -4.282) 4.605 27.009 ( -2.898 -3.581 1.948) 5.002 27.146 ( -4.424 -5.315 -3.491) 7.746 28.611 ( 0.189 5.303 0.922) 5.386 28.754 ( -1.619 3.641 -5.782) 7.022 29.271 ( -10.187 -2.758 6.112) 12.195 29.604 ( -2.186 0.356 1.491) 2.670 31.263 ( 1.415 3.271 -4.558) 5.786 31.419 ( -0.756 3.751 -1.238) 4.022 31.657 ( 2.182 5.348 -0.774) 5.827 32.097 ( 3.575 8.115 5.862) 10.630 32.276 ( -2.303 9.214 -1.171) 9.569 32.401 ( -3.012 9.778 -1.598) 10.355 33.361 ( 0.803 -9.665 -7.515) 12.269 33.442 ( 16.072 0.631 10.511) 19.214 ======================= Grid point 121 (53/126) ======================= q-point: (-0.25 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -22.407 26.383 7.650) 35.449 2.736 ( -24.176 24.949 15.453) 38.023 3.271 ( -13.996 22.481 -8.457) 27.800 3.944 ( -4.506 22.379 -21.801) 31.566 4.172 ( -10.103 25.931 9.627) 29.448 4.547 ( -12.324 -0.435 4.992) 13.304 4.743 ( -8.951 7.679 0.008) 11.793 5.141 ( 6.066 -0.951 2.142) 6.503 5.188 ( 1.178 11.912 5.156) 13.033 5.316 ( -4.435 -4.787 14.947) 16.309 5.686 ( -1.694 0.508 -11.691) 11.823 5.893 ( -6.465 3.870 6.891) 10.211 6.022 ( -2.067 2.099 -4.291) 5.205 6.337 ( -1.188 -5.072 -1.720) 5.485 6.579 ( -0.266 7.937 -5.471) 9.644 6.831 ( 8.996 -8.280 -10.235) 15.945 6.926 ( -0.721 -10.263 1.376) 10.380 7.080 ( 0.423 2.632 -1.924) 3.288 7.289 ( -0.607 -16.548 -4.216) 17.088 7.388 ( -3.755 -13.674 3.429) 14.589 7.728 ( -4.665 -8.259 -7.321) 11.982 7.858 ( -3.246 -10.285 -7.234) 12.986 8.199 ( -20.610 -7.565 4.082) 22.331 8.588 ( -2.987 -1.714 -3.322) 4.784 8.656 ( -1.673 -3.671 3.987) 5.672 8.831 ( -1.775 -2.531 0.380) 3.115 8.936 ( -5.556 10.016 7.114) 13.484 9.248 ( 3.652 -0.169 4.064) 5.466 9.575 ( 5.047 -9.418 6.727) 12.626 9.739 ( 1.233 -5.179 2.289) 5.795 9.868 ( -0.020 -6.753 -7.834) 10.343 9.958 ( 2.371 1.745 6.928) 7.528 10.231 ( 2.536 -0.846 -3.268) 4.222 10.410 ( 2.974 -0.585 3.738) 4.812 10.453 ( 2.878 -5.051 -4.559) 7.388 10.729 ( 11.812 -6.702 -1.807) 13.701 11.164 ( -1.955 -3.614 5.691) 7.019 11.278 ( 4.766 -1.066 -0.762) 4.943 11.438 ( 9.561 -4.535 2.011) 10.771 11.735 ( 12.274 3.077 -7.608) 14.765 12.234 ( 0.582 4.071 -3.803) 5.601 12.420 ( -3.257 7.685 11.009) 13.815 12.555 ( 2.020 4.365 -1.495) 5.036 13.044 ( 1.537 2.483 -0.814) 3.031 13.465 ( -0.925 -3.407 3.184) 4.754 13.745 ( 3.356 0.369 -2.514) 4.210 14.555 ( -3.542 7.241 1.717) 8.242 14.771 ( 2.514 7.479 0.136) 7.891 15.251 ( 4.730 3.955 0.979) 6.243 15.313 ( 1.077 4.250 -1.530) 4.643 15.445 ( 0.859 2.875 3.054) 4.282 16.054 ( -9.163 -8.283 -1.717) 12.471 16.271 ( 2.750 -3.129 -2.123) 4.676 16.444 ( 2.547 -3.104 -4.869) 6.311 17.414 ( -0.402 -5.507 4.904) 7.385 17.508 ( 1.908 -2.893 1.519) 3.784 18.004 ( -0.742 -1.140 -0.995) 1.686 18.172 ( 0.401 -8.403 -3.183) 8.995 18.602 ( -0.401 -1.927 -1.363) 2.394 18.845 ( 4.826 -2.483 2.450) 5.955 18.954 ( 3.177 5.861 -1.920) 6.938 19.160 ( 1.210 -0.786 0.129) 1.448 26.406 ( 0.679 -0.377 1.399) 1.600 26.456 ( -0.765 -0.485 -3.149) 3.277 26.893 ( -7.666 -4.611 0.290) 8.950 27.035 ( -6.157 -3.309 -2.087) 7.295 28.612 ( -0.142 5.201 0.778) 5.261 28.702 ( -3.146 3.311 -5.611) 7.235 29.053 ( -9.827 -0.290 5.933) 11.483 29.509 ( -6.328 -0.084 -1.435) 6.490 31.279 ( 0.213 5.797 -3.799) 6.934 31.416 ( 0.241 3.615 0.893) 3.731 31.744 ( 5.874 2.531 -3.536) 7.309 31.983 ( -9.523 -0.164 12.687) 15.864 32.299 ( -3.036 5.501 -4.395) 7.668 32.434 ( 9.020 17.716 -0.116) 19.881 33.432 ( 5.446 -9.750 -8.010) 13.743 33.820 ( 19.026 0.473 9.859) 21.434 ======================= Grid point 122 (54/126) ======================= q-point: (-0.12 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -17.444 29.758 13.788) 37.148 2.271 ( -18.478 36.254 15.151) 43.420 3.057 ( -4.825 16.889 -14.025) 22.477 3.737 ( -24.003 48.390 25.497) 59.732 3.830 ( -5.782 14.287 -27.862) 31.841 4.278 ( -9.469 1.098 4.531) 10.554 4.488 ( -10.405 3.477 0.695) 10.993 5.214 ( -2.267 -11.033 13.896) 17.888 5.279 ( 2.748 5.778 4.150) 7.627 5.430 ( 12.683 -0.084 1.815) 12.812 5.676 ( -0.934 4.546 -3.975) 6.110 5.855 ( 4.771 3.982 -11.957) 13.475 5.986 ( -0.928 -3.260 -4.508) 5.640 6.286 ( -2.538 -6.271 1.456) 6.920 6.528 ( -4.642 6.579 0.542) 8.070 6.748 ( -3.351 -4.114 -3.924) 6.600 7.034 ( -0.176 2.051 -0.278) 2.078 7.228 ( 9.061 -6.245 -13.141) 17.141 7.264 ( -3.760 -15.285 -6.313) 16.959 7.381 ( 6.473 -3.648 0.476) 7.446 7.638 ( -3.455 -9.824 -4.201) 11.230 7.775 ( -16.485 -5.638 4.713) 18.048 7.820 ( -0.009 -11.943 -1.839) 12.084 8.514 ( -3.784 -1.133 -2.295) 4.568 8.642 ( -0.002 0.817 10.812) 10.843 8.786 ( -1.765 1.621 0.773) 2.518 8.876 ( -1.772 2.223 4.594) 5.402 9.309 ( 1.518 8.124 0.346) 8.272 9.608 ( -1.955 -7.042 8.939) 11.546 9.769 ( 2.639 -5.100 0.353) 5.753 9.888 ( -0.399 -14.280 -1.146) 14.331 10.019 ( 4.387 0.067 3.337) 5.513 10.281 ( 1.167 -0.340 -5.134) 5.276 10.409 ( -2.109 -0.222 3.043) 3.710 10.539 ( 5.306 -6.909 -7.079) 11.226 10.946 ( 6.317 -3.559 -5.055) 8.839 11.181 ( 4.755 -3.573 4.725) 7.596 11.295 ( -2.363 0.416 2.499) 3.464 11.600 ( 3.116 -16.309 7.820) 18.353 11.888 ( 2.915 -0.601 -5.382) 6.150 12.245 ( 0.888 6.569 -1.174) 6.732 12.441 ( 0.443 -1.596 4.304) 4.612 12.613 ( 7.449 5.728 0.411) 9.406 13.006 ( -5.578 2.888 1.291) 6.413 13.458 ( 0.700 1.115 2.487) 2.814 13.833 ( 5.568 -0.624 -9.122) 10.706 14.502 ( -1.000 9.299 2.342) 9.641 14.864 ( 4.776 5.299 5.166) 8.808 15.256 ( -3.048 -0.213 -0.844) 3.170 15.342 ( 2.575 4.662 -1.989) 5.685 15.518 ( 2.562 3.402 1.736) 4.599 15.850 ( -8.563 -5.381 2.082) 10.326 16.329 ( 2.333 0.475 -4.410) 5.011 16.467 ( 0.003 -6.347 -2.660) 6.882 17.404 ( -0.426 -5.313 5.800) 7.877 17.530 ( 0.179 -3.334 1.305) 3.585 17.999 ( 0.200 -0.957 -0.691) 1.197 18.188 ( 0.987 -10.228 -3.888) 10.986 18.606 ( 0.883 -1.826 0.251) 2.044 18.930 ( 1.833 -2.400 -2.279) 3.783 19.059 ( 4.624 3.120 1.248) 5.716 19.210 ( 5.451 3.646 -4.125) 7.747 26.310 ( -6.724 -1.300 -6.226) 9.255 26.513 ( 3.568 1.706 5.594) 6.850 26.728 ( -6.886 -3.910 -1.376) 8.037 26.891 ( -6.413 -1.310 -0.913) 6.609 28.603 ( -0.696 4.989 -0.288) 5.046 28.630 ( -2.937 3.925 -3.344) 5.934 28.885 ( -5.687 1.954 7.533) 9.639 29.373 ( -5.249 -0.592 -5.151) 7.378 31.279 ( 0.067 6.954 -1.483) 7.111 31.414 ( -0.699 4.476 -0.507) 4.558 31.772 ( -9.408 -3.239 14.791) 17.826 31.894 ( 7.452 2.465 -4.917) 9.262 32.238 ( -2.317 4.160 -0.502) 4.788 32.604 ( 5.520 16.552 -2.667) 17.651 33.571 ( 7.520 -10.133 -2.320) 12.830 34.190 ( 13.094 -3.375 1.709) 13.630 ======================= Grid point 123 (55/126) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.215 33.942 11.622) 35.877 2.913 ( 0.227 43.405 8.103) 44.156 3.261 ( 0.070 10.543 -11.777) 15.806 4.003 ( -3.397 18.063 -18.495) 26.074 4.060 ( 1.309 5.614 -3.656) 6.826 4.292 ( 3.264 2.923 1.437) 4.611 4.691 ( -4.843 30.244 12.974) 33.264 5.045 ( 1.236 -0.286 10.158) 10.237 5.246 ( -2.210 -4.818 9.027) 10.468 5.515 ( -0.080 -3.853 -2.476) 4.581 5.650 ( -2.265 0.833 4.591) 5.187 5.866 ( 3.237 -7.975 -1.556) 8.747 6.032 ( -2.513 -9.043 3.938) 10.178 6.316 ( 5.273 -3.421 -12.857) 14.311 6.418 ( 2.857 12.854 -4.854) 14.034 6.758 ( -0.883 -3.763 2.503) 4.605 6.880 ( -1.763 -13.589 -1.647) 13.801 7.098 ( -3.273 -0.273 -5.334) 6.264 7.231 ( 1.693 -4.748 -12.967) 13.912 7.359 ( -6.703 4.888 1.170) 8.378 7.432 ( 5.771 -10.389 0.708) 11.905 7.615 ( 2.432 1.637 8.736) 9.214 7.753 ( 6.784 -2.984 -9.133) 11.762 8.387 ( -4.234 -2.923 -2.640) 5.782 8.685 ( -2.693 -7.492 -2.263) 8.276 8.756 ( 2.459 4.573 16.179) 16.991 8.871 ( -0.454 0.426 -2.255) 2.339 9.403 ( -3.133 -6.466 9.799) 12.151 9.487 ( -0.589 -2.429 -2.685) 3.668 9.554 ( -0.024 -5.905 7.263) 9.361 9.750 ( 2.482 -3.707 1.606) 4.741 10.067 ( 2.961 -4.488 3.427) 6.376 10.193 ( -3.715 -3.419 -4.768) 6.944 10.363 ( -0.213 -2.773 -3.243) 4.272 10.609 ( 3.792 1.592 -1.168) 4.275 10.930 ( 0.716 -4.405 -3.362) 5.588 11.073 ( -7.148 -8.708 3.176) 11.705 11.169 ( -3.920 -4.440 2.189) 6.314 11.323 ( 2.846 -9.208 3.019) 10.100 11.828 ( 1.556 -11.247 -8.008) 13.894 12.174 ( -4.229 -2.314 3.955) 6.235 12.436 ( 3.077 4.076 -3.765) 6.344 12.926 ( 0.014 8.684 3.009) 9.191 13.095 ( 0.886 11.700 0.548) 11.746 13.516 ( 0.464 1.054 1.784) 2.123 13.964 ( 6.414 -2.762 -13.042) 14.793 14.688 ( 2.932 6.356 5.063) 8.639 14.888 ( -6.074 2.174 9.817) 11.747 15.212 ( 0.145 -0.701 -0.373) 0.807 15.415 ( -1.185 -4.111 -0.521) 4.310 15.560 ( 0.562 6.411 1.821) 6.689 15.814 ( -0.346 4.937 1.079) 5.065 16.309 ( -3.154 -4.701 -3.297) 6.551 16.398 ( 3.056 -0.436 -3.232) 4.469 17.357 ( 0.593 -0.992 2.283) 2.559 17.457 ( -0.428 -3.267 0.138) 3.298 17.981 ( 0.550 -1.725 -0.729) 1.952 18.026 ( 0.403 -7.353 -2.035) 7.640 18.605 ( 0.765 -0.976 2.888) 3.143 18.901 ( -1.164 -3.054 -3.356) 4.684 19.049 ( -0.777 -0.266 1.630) 1.825 19.340 ( -0.673 -0.454 -7.298) 7.343 26.303 ( 4.294 1.057 1.700) 4.737 26.484 ( -7.727 0.660 -4.016) 8.733 26.662 ( 5.119 -1.542 3.577) 6.433 26.797 ( -0.514 -1.064 -0.978) 1.534 28.689 ( 1.434 4.131 -1.229) 4.543 28.698 ( -0.286 5.444 -0.575) 5.482 28.864 ( -0.192 1.293 6.878) 7.001 29.258 ( 0.646 -5.130 -3.796) 6.414 31.406 ( -0.249 5.105 -0.684) 5.157 31.483 ( -0.759 4.971 -1.010) 5.129 31.630 ( -3.526 3.351 9.876) 11.008 32.070 ( 5.521 -2.278 -0.816) 6.028 32.296 ( -2.004 9.403 0.262) 9.618 32.871 ( -2.202 8.287 -13.929) 16.357 33.568 ( 5.156 -4.573 12.272) 14.075 34.172 ( -4.964 -4.416 -5.811) 8.826 ======================= Grid point 124 (56/126) ======================= q-point: ( 0.12 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 16.813 29.494 10.699) 35.595 3.034 ( 11.094 38.495 7.390) 40.737 3.388 ( 10.815 13.002 -10.196) 19.748 3.968 ( 3.010 15.183 -11.288) 19.158 4.248 ( 12.148 13.787 -7.796) 19.961 4.464 ( 11.960 -0.622 2.269) 12.189 4.678 ( 4.225 26.919 3.959) 27.535 5.093 ( 2.341 6.649 14.818) 16.409 5.187 ( -1.265 -5.667 2.313) 6.250 5.456 ( -5.985 -2.282 -0.678) 6.441 5.657 ( 1.964 -3.405 2.655) 4.743 5.913 ( 0.985 -6.114 4.369) 7.579 6.018 ( 0.112 -7.350 -1.257) 7.457 6.352 ( 3.281 -6.714 -12.003) 14.139 6.583 ( 6.460 3.952 -1.407) 7.702 6.671 ( -7.825 7.028 6.615) 12.425 6.834 ( -2.410 -3.449 -6.483) 7.729 7.016 ( -1.870 -7.643 -0.192) 7.871 7.241 ( -0.219 2.661 -7.208) 7.686 7.275 ( 1.860 -7.184 -5.794) 9.415 7.617 ( 9.049 -7.806 -1.730) 12.075 7.735 ( 7.777 -6.261 12.351) 15.881 7.891 ( 5.798 -1.370 -9.125) 10.898 8.284 ( -4.341 -4.082 -1.137) 6.067 8.603 ( -3.419 -6.223 -0.499) 7.118 8.743 ( -1.990 -1.781 1.362) 2.998 8.960 ( 5.866 2.177 5.823) 8.548 9.296 ( -5.213 -3.805 8.080) 10.341 9.413 ( -5.652 -11.306 0.043) 12.640 9.609 ( 2.409 3.029 10.467) 11.159 9.791 ( -1.255 -6.550 -1.019) 6.746 10.040 ( -3.119 0.780 1.456) 3.530 10.141 ( 0.919 -2.807 -2.953) 4.176 10.372 ( -0.197 -3.835 -3.616) 5.274 10.669 ( 0.124 -3.695 2.441) 4.431 10.825 ( -10.869 -2.828 -4.819) 12.221 10.913 ( -4.173 -3.337 2.081) 5.735 11.131 ( 1.357 -4.056 -1.635) 4.579 11.346 ( -2.737 -3.933 2.105) 5.234 11.896 ( 3.308 -16.346 -7.996) 18.495 12.141 ( 1.057 0.772 0.139) 1.316 12.503 ( 2.574 4.202 -0.921) 5.013 12.828 ( -5.296 10.432 2.981) 12.074 13.162 ( 2.491 9.078 1.343) 9.509 13.506 ( -1.489 1.272 2.028) 2.819 14.020 ( -2.634 -5.015 -6.962) 8.975 14.740 ( -0.444 5.558 6.834) 8.820 14.802 ( 1.285 4.205 4.499) 6.291 15.215 ( 0.518 -0.486 -1.075) 1.288 15.423 ( 0.848 -5.172 1.345) 5.411 15.581 ( 2.037 4.622 -0.987) 5.146 15.763 ( -3.795 5.491 1.251) 6.792 16.236 ( -3.278 -3.182 -1.815) 4.916 16.449 ( 1.571 -1.398 -4.202) 4.699 17.366 ( 0.067 -0.563 2.755) 2.813 17.450 ( -0.303 -2.833 -0.027) 2.849 17.998 ( 1.002 -1.982 -0.446) 2.265 18.034 ( 0.431 -7.281 -1.722) 7.494 18.613 ( 0.077 -0.945 3.225) 3.361 18.820 ( -6.303 -0.674 -5.061) 8.111 19.038 ( -0.380 0.467 0.528) 0.801 19.245 ( -6.187 -0.312 -3.858) 7.298 26.333 ( -3.334 2.231 -3.106) 5.074 26.482 ( 7.179 -3.889 3.249) 8.787 26.719 ( 1.985 -0.650 -0.058) 2.090 26.872 ( 6.205 -2.658 -0.231) 6.754 28.687 ( 0.011 5.425 -0.814) 5.485 28.760 ( 3.360 4.091 -1.903) 5.626 28.923 ( 6.187 -0.618 7.389) 9.657 29.340 ( 6.498 -6.744 -2.551) 9.706 31.390 ( -1.025 3.798 -0.650) 3.988 31.472 ( -0.155 5.289 -2.783) 5.978 31.603 ( 0.654 6.804 6.568) 9.479 32.103 ( -3.323 -2.632 5.920) 7.281 32.346 ( 7.663 7.565 -3.185) 11.230 32.793 ( -4.348 11.334 -11.423) 16.669 33.615 ( -1.152 -7.443 12.783) 14.837 33.916 ( -17.614 2.547 -8.163) 19.580 ======================= Grid point 125 (57/126) ======================= q-point: ( 0.25 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 16.994 23.368 10.308) 30.678 3.346 ( 16.734 30.845 7.501) 35.885 3.650 ( 12.547 20.003 -7.474) 24.768 4.119 ( 10.783 11.975 -12.506) 20.398 4.499 ( 10.320 16.733 -3.253) 19.926 4.673 ( 4.173 -0.568 1.472) 4.461 4.914 ( 18.034 17.065 -3.261) 25.041 5.097 ( -0.768 7.637 7.499) 10.730 5.264 ( 6.247 -5.511 8.203) 11.692 5.335 ( -3.486 4.700 -4.413) 7.329 5.657 ( -1.086 -0.365 4.909) 5.041 5.946 ( 1.706 -7.381 -3.434) 8.317 6.032 ( 2.069 -0.127 -6.346) 6.676 6.349 ( -10.747 7.803 0.718) 13.300 6.542 ( 3.635 -1.262 -0.306) 3.860 6.590 ( -4.229 -8.461 3.133) 9.964 6.824 ( 0.394 0.036 -2.718) 2.746 7.064 ( 5.558 -4.952 -0.384) 7.454 7.249 ( -0.823 -11.348 -2.823) 11.723 7.333 ( 1.086 -5.725 1.839) 6.111 7.773 ( 6.182 -6.992 -2.303) 9.613 7.901 ( 5.361 -9.999 6.846) 13.251 8.037 ( 9.772 -0.502 -9.005) 13.298 8.267 ( 4.438 -5.783 -0.324) 7.296 8.590 ( 2.524 -8.859 -0.279) 9.216 8.692 ( -2.839 -6.841 -3.330) 8.121 9.070 ( 3.745 -0.373 4.626) 5.964 9.211 ( -2.135 -3.666 13.027) 13.701 9.282 ( -5.907 -6.548 -1.064) 8.883 9.610 ( -5.117 1.671 3.388) 6.361 9.676 ( -3.195 -5.721 4.224) 7.796 10.089 ( 4.341 2.835 -2.755) 5.871 10.171 ( 2.061 -4.268 0.498) 4.765 10.343 ( -2.101 -1.338 -3.393) 4.209 10.493 ( -12.332 -5.200 4.579) 14.145 10.724 ( -2.395 -0.861 0.420) 2.579 10.810 ( -5.739 -0.235 -0.898) 5.814 11.161 ( -1.609 -0.417 -5.457) 5.704 11.256 ( -2.390 -4.007 -1.598) 4.932 11.888 ( -4.551 -11.719 -8.984) 15.452 12.212 ( 5.420 2.529 -2.965) 6.675 12.493 ( -3.891 3.574 2.676) 5.922 12.786 ( 1.237 8.162 4.438) 9.373 13.170 ( -1.792 7.493 0.888) 7.755 13.460 ( -2.599 0.414 2.743) 3.801 13.875 ( -8.670 -2.805 -0.840) 9.151 14.767 ( 2.878 6.576 3.590) 8.026 14.816 ( -0.320 2.015 1.491) 2.527 15.265 ( 1.875 2.304 -1.472) 3.315 15.412 ( -1.676 0.644 -0.112) 1.799 15.567 ( -2.726 4.410 4.062) 6.586 15.781 ( 5.993 -3.571 -2.143) 7.298 16.172 ( -2.685 -2.843 -1.150) 4.076 16.462 ( -0.177 -1.331 -5.143) 5.315 17.359 ( -0.744 0.189 3.073) 3.168 17.440 ( -0.763 -2.041 0.073) 2.181 18.020 ( 1.016 -2.315 -0.172) 2.534 18.045 ( 0.613 -6.698 -1.261) 6.843 18.618 ( 0.443 -0.427 2.229) 2.312 18.676 ( -5.794 2.007 -4.605) 7.668 19.026 ( -0.780 0.151 -0.489) 0.932 19.130 ( -4.497 -2.197 -0.303) 5.014 26.303 ( 0.558 3.318 -1.899) 3.863 26.551 ( -0.247 -3.030 1.757) 3.511 26.818 ( 6.122 -2.745 -0.264) 6.715 26.998 ( 5.144 -4.937 -0.244) 7.134 28.694 ( 0.548 5.744 -0.420) 5.785 28.814 ( 2.011 4.594 -2.286) 5.511 29.102 ( 9.312 -3.834 6.682) 12.086 29.487 ( 6.258 -7.856 -0.394) 10.051 31.360 ( -2.050 2.871 -0.357) 3.546 31.484 ( 1.576 4.856 -6.815) 8.515 31.649 ( 3.198 7.604 5.406) 9.863 32.015 ( -3.514 2.624 3.932) 5.890 32.551 ( 10.362 3.357 -0.126) 10.893 32.705 ( -3.134 14.610 -6.260) 16.200 33.494 ( -19.092 4.831 -6.543) 20.752 33.535 ( -7.698 -6.087 8.421) 12.932 ======================= Grid point 126 (58/126) ======================= q-point: ( 0.38 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 9.979 18.508 10.876) 23.673 3.687 ( 13.742 24.424 9.749) 29.672 3.885 ( 10.259 19.979 -8.775) 24.112 4.374 ( 12.186 10.299 -13.225) 20.724 4.613 ( -3.462 10.995 -5.548) 12.792 4.630 ( -2.372 18.767 7.443) 20.328 5.031 ( -4.687 10.523 5.571) 12.796 5.278 ( 2.304 -10.856 5.469) 12.372 5.336 ( 4.833 4.054 -9.497) 11.401 5.469 ( 19.077 11.427 -3.189) 22.465 5.678 ( 3.635 4.995 -5.651) 8.373 6.006 ( 4.318 -8.140 -2.653) 9.589 6.048 ( -10.647 8.627 2.926) 14.013 6.128 ( 3.515 7.434 -1.363) 8.335 6.509 ( -2.978 -8.552 -1.632) 9.202 6.638 ( 1.861 -2.108 -4.318) 5.153 6.839 ( 1.339 -11.785 3.797) 12.454 7.156 ( -1.573 -5.916 0.404) 6.135 7.209 ( 1.484 -9.963 1.842) 10.240 7.260 ( -6.524 -8.517 11.039) 15.394 7.897 ( 4.406 -3.937 -4.186) 7.241 7.954 ( -0.139 -8.963 0.426) 8.974 8.183 ( 3.677 -7.768 -0.555) 8.612 8.506 ( 14.266 -3.557 -1.676) 14.798 8.610 ( -3.445 -11.655 -4.623) 13.003 8.659 ( 0.420 -14.862 1.863) 14.984 9.100 ( 0.399 -3.590 2.494) 4.390 9.209 ( -0.413 -4.538 -0.842) 4.634 9.264 ( 6.356 -2.335 11.986) 13.766 9.483 ( -4.564 -2.625 -5.620) 7.701 9.688 ( 3.728 2.621 9.552) 10.584 10.102 ( -3.958 -3.031 -1.462) 5.195 10.203 ( -2.650 -4.162 5.751) 7.578 10.301 ( -0.826 4.176 3.097) 5.265 10.327 ( 0.170 -1.917 -5.015) 5.371 10.602 ( -8.420 -1.381 4.638) 9.711 10.705 ( -3.887 1.173 -3.558) 5.399 11.084 ( -2.487 0.499 -10.828) 11.121 11.254 ( -0.106 -2.356 -1.635) 2.870 11.736 ( -7.950 -4.706 -8.604) 12.625 12.343 ( 3.783 2.826 -2.361) 5.279 12.378 ( -3.476 0.787 2.831) 4.552 12.825 ( 1.263 8.001 6.025) 10.095 13.099 ( -4.086 7.197 0.507) 8.291 13.406 ( -2.364 -1.858 3.531) 4.638 13.732 ( -4.082 -1.672 -2.115) 4.892 14.801 ( 1.722 4.694 2.318) 5.511 14.871 ( 3.730 4.234 -0.305) 5.651 15.212 ( -5.648 6.004 0.137) 8.244 15.300 ( -6.167 4.522 -1.313) 7.759 15.676 ( 10.280 -0.769 6.798) 12.348 15.867 ( -0.036 -3.092 -0.784) 3.190 16.141 ( 0.398 -4.907 -3.213) 5.879 16.442 ( -1.524 -0.720 -6.046) 6.277 17.347 ( -0.219 0.181 2.904) 2.918 17.420 ( -0.966 -1.057 0.195) 1.445 18.032 ( -0.071 -2.316 -0.051) 2.318 18.057 ( 0.471 -6.013 -1.048) 6.122 18.605 ( -0.864 0.387 -2.246) 2.437 18.632 ( 0.696 0.179 0.725) 1.020 19.009 ( -0.771 -0.352 0.098) 0.853 19.049 ( -3.069 -3.413 -0.364) 4.604 26.338 ( 2.251 3.607 -0.082) 4.253 26.527 ( -1.531 -1.135 0.134) 1.910 26.924 ( 3.675 -2.966 0.079) 4.723 27.076 ( 2.061 -6.585 -0.622) 6.928 28.707 ( 0.617 6.169 0.169) 6.202 28.846 ( 1.016 4.489 -3.124) 5.562 29.277 ( 6.144 -5.672 7.270) 11.081 29.572 ( 1.726 -5.998 0.243) 6.246 31.313 ( -1.939 3.306 -0.727) 3.901 31.515 ( 0.746 2.991 -6.946) 7.600 31.716 ( 2.301 5.791 5.990) 8.643 32.010 ( 3.899 7.941 -2.804) 9.280 32.617 ( -2.343 14.427 -1.022) 14.652 32.804 ( 9.228 4.255 6.240) 11.925 33.112 ( -14.097 8.757 -9.793) 19.270 33.367 ( -8.482 -10.474 5.747) 14.652 ======================= Grid point 127 (59/126) ======================= q-point: (-0.50 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -0.614 15.772 10.957) 19.214 3.809 ( -4.903 16.944 6.715) 18.874 4.098 ( 8.431 21.163 -7.124) 23.868 4.463 ( -1.439 22.969 -1.183) 23.044 4.577 ( 2.443 12.046 -8.176) 14.762 4.672 ( 5.806 14.946 -1.223) 16.081 4.849 ( -11.228 17.380 2.808) 20.881 5.180 ( -7.319 -5.113 6.235) 10.890 5.472 ( 6.461 0.254 -6.867) 9.432 5.714 ( -7.022 0.831 3.923) 8.086 5.801 ( 7.760 4.034 -13.685) 16.241 5.930 ( 6.587 -1.916 -6.155) 9.216 6.078 ( 2.728 -3.145 -0.708) 4.223 6.296 ( 6.562 9.014 -1.326) 11.228 6.471 ( 1.535 -3.942 -2.601) 4.966 6.600 ( -4.437 -0.569 -0.102) 4.475 6.826 ( -3.534 -18.363 7.120) 20.009 7.080 ( -7.870 -8.270 8.036) 13.961 7.097 ( -1.058 -3.904 3.205) 5.161 7.308 ( 3.165 -8.563 2.410) 9.442 7.878 ( -6.297 -4.846 -1.049) 8.015 7.916 ( -3.201 -3.487 -3.761) 6.046 8.230 ( 0.998 -13.081 1.385) 13.192 8.531 ( -2.507 -12.326 -5.272) 13.639 8.652 ( -0.247 -13.807 1.747) 13.919 8.734 ( 6.942 -3.931 2.855) 8.473 9.129 ( 1.273 -8.518 5.425) 10.179 9.160 ( -3.825 -1.230 -3.591) 5.389 9.365 ( -4.497 -2.926 -2.778) 6.042 9.508 ( 11.917 -5.358 12.105) 17.812 9.812 ( 1.819 2.607 -2.207) 3.870 9.997 ( -1.317 -3.153 3.285) 4.740 10.119 ( -3.427 -3.527 7.350) 8.843 10.284 ( -1.049 1.574 6.038) 6.328 10.393 ( 2.683 3.274 -3.330) 5.386 10.440 ( -6.177 0.542 -1.709) 6.432 10.712 ( 7.748 -2.973 -4.928) 9.651 11.082 ( 1.792 -1.534 -9.835) 10.114 11.247 ( 0.592 2.307 0.040) 2.382 11.607 ( -3.452 -1.327 -9.228) 9.942 12.245 ( -3.825 0.335 2.992) 4.867 12.495 ( 5.792 0.609 -3.929) 7.025 12.808 ( -3.480 9.158 7.757) 12.496 13.048 ( 0.240 7.360 0.259) 7.368 13.376 ( -0.329 -2.918 3.683) 4.711 13.689 ( -0.494 -1.423 -3.439) 3.755 14.859 ( -0.371 4.502 0.950) 4.616 14.877 ( -0.910 5.448 0.347) 5.535 15.138 ( 0.361 6.155 0.592) 6.194 15.229 ( 0.352 4.632 -1.198) 4.797 15.777 ( -6.992 -0.638 2.127) 7.336 15.900 ( 9.474 -1.428 7.023) 11.879 16.155 ( -0.455 -7.307 -4.153) 8.417 16.406 ( -1.239 0.956 -7.995) 8.146 17.349 ( 0.165 -1.201 2.838) 3.086 17.410 ( 0.269 -0.491 0.204) 0.596 18.018 ( -1.131 -2.349 -0.368) 2.633 18.060 ( -0.278 -5.602 -1.040) 5.704 18.619 ( 1.195 -0.647 -0.571) 1.474 18.642 ( 0.703 -0.199 -0.123) 0.741 18.977 ( -1.625 -0.160 0.461) 1.696 19.033 ( 1.276 -3.750 -0.688) 4.021 26.383 ( 1.747 3.418 1.467) 4.109 26.495 ( -1.385 -0.432 -1.084) 1.811 26.971 ( 0.624 -2.868 0.882) 3.065 27.085 ( -1.055 -6.765 -1.608) 7.034 28.718 ( 0.407 6.419 0.682) 6.468 28.852 ( -0.435 4.086 -3.903) 5.668 29.327 ( -2.027 -5.561 7.674) 9.691 29.585 ( 0.083 -3.999 -0.253) 4.007 31.292 ( 0.179 3.185 -1.890) 3.708 31.506 ( -1.091 2.225 -2.499) 3.520 31.746 ( 0.769 5.820 2.378) 6.334 32.160 ( 8.840 10.410 -5.473) 14.713 32.541 ( -5.679 11.105 4.528) 13.269 32.759 ( -8.494 12.416 -1.338) 15.102 33.140 ( 11.832 0.059 1.013) 11.875 33.217 ( -4.214 -9.214 0.330) 10.137 ======================= Grid point 128 (60/126) ======================= q-point: (-0.38 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -11.272 21.288 9.036) 25.727 3.561 ( -14.917 20.188 5.102) 25.614 4.087 ( -10.418 26.341 -3.092) 28.495 4.499 ( -5.764 23.527 -7.217) 25.275 4.529 ( -0.031 9.648 -4.060) 10.467 4.678 ( -2.723 9.960 -1.537) 10.439 4.827 ( 6.735 5.252 -2.742) 8.970 5.050 ( -4.263 -2.132 7.155) 8.597 5.506 ( -6.863 11.498 6.863) 15.047 5.575 ( 0.106 -7.053 -6.541) 9.620 5.848 ( -6.143 -0.085 -5.366) 8.157 5.957 ( -3.443 -6.491 -3.339) 8.071 6.153 ( 0.327 5.300 -0.652) 5.350 6.310 ( 2.154 9.220 -4.887) 10.656 6.500 ( -3.411 -3.390 3.417) 5.900 6.626 ( 8.905 -6.221 3.775) 11.500 6.755 ( -2.213 -10.564 1.893) 10.958 6.989 ( -0.668 -9.051 -1.071) 9.138 7.091 ( 0.284 -0.258 2.395) 2.426 7.274 ( -6.697 -8.682 5.846) 12.426 7.742 ( -4.769 -3.931 -3.819) 7.265 7.813 ( -5.238 -3.436 -8.939) 10.915 8.218 ( -3.342 -15.418 3.241) 16.105 8.512 ( -0.129 -8.734 -3.849) 9.545 8.605 ( -4.770 -12.142 -2.144) 13.221 8.810 ( -0.403 -4.513 2.863) 5.360 9.057 ( -0.643 -5.727 3.983) 7.005 9.230 ( 5.537 -8.120 0.815) 9.861 9.253 ( -4.775 3.410 6.081) 8.450 9.659 ( -2.783 -3.624 9.055) 10.143 9.789 ( 4.678 -4.008 2.420) 6.619 9.976 ( -4.367 1.448 -4.119) 6.175 10.133 ( 6.025 -4.553 3.323) 8.251 10.317 ( -0.858 -2.241 3.739) 4.442 10.358 ( 2.803 1.417 -2.176) 3.821 10.470 ( 5.066 1.604 -1.657) 5.566 10.942 ( 9.168 -6.823 4.355) 12.230 11.109 ( 1.384 -5.478 -7.350) 9.271 11.325 ( 6.030 5.248 -0.932) 8.048 11.604 ( 4.198 0.180 -13.842) 14.466 12.224 ( 1.480 0.068 -1.522) 2.123 12.569 ( 0.116 -1.698 0.462) 1.763 12.710 ( -4.307 10.559 6.590) 13.171 13.097 ( 3.512 8.394 0.698) 9.126 13.394 ( 1.763 -2.766 3.525) 4.815 13.699 ( 1.546 -0.666 -3.272) 3.679 14.750 ( -4.750 5.324 0.878) 7.189 14.893 ( -1.179 5.091 0.236) 5.231 15.207 ( 6.007 5.040 0.226) 7.844 15.316 ( 6.212 4.471 -0.772) 7.692 15.606 ( -8.337 2.551 3.821) 9.519 16.023 ( -1.645 -7.852 3.958) 8.946 16.130 ( 1.776 -3.392 -1.281) 4.037 16.402 ( 0.836 1.199 -9.135) 9.252 17.349 ( -0.299 -2.182 3.021) 3.739 17.430 ( 1.384 -1.201 0.445) 1.886 17.992 ( -1.177 -2.307 -1.067) 2.801 18.046 ( -0.907 -5.648 -1.163) 5.837 18.609 ( -1.336 0.485 -0.834) 1.648 18.700 ( 4.050 -1.620 0.794) 4.433 18.976 ( 1.814 1.666 -0.603) 2.536 19.072 ( 1.969 -4.116 0.082) 4.564 26.409 ( 0.669 2.355 2.678) 3.628 26.469 ( -1.043 -0.227 -2.356) 2.587 26.938 ( -4.030 -3.667 0.608) 5.483 27.044 ( -2.567 -5.171 -1.555) 5.979 28.724 ( 0.083 6.373 0.956) 6.445 28.825 ( -2.018 3.654 -4.294) 5.988 29.217 ( -7.561 -2.872 6.159) 10.166 29.561 ( -2.946 -4.643 0.101) 5.499 31.319 ( 2.235 2.726 -3.110) 4.701 31.484 ( -0.692 2.562 0.051) 2.655 31.760 ( 0.722 5.606 0.466) 5.672 32.243 ( -5.671 7.084 5.626) 10.677 32.460 ( 1.602 9.468 -5.224) 10.932 32.639 ( -1.715 12.960 -1.074) 13.117 33.178 ( 1.801 -8.152 -3.367) 9.002 33.456 ( 16.093 0.660 5.187) 16.922 ======================= Grid point 129 (61/126) ======================= q-point: (-0.25 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -17.703 28.276 7.680) 34.233 3.256 ( -13.755 29.527 5.449) 33.026 3.766 ( -17.412 26.311 -2.990) 31.692 4.257 ( -12.091 10.889 -15.627) 22.560 4.487 ( -6.856 7.674 -0.125) 10.291 4.588 ( -9.585 5.660 -2.175) 11.342 4.892 ( -0.084 1.686 3.810) 4.167 5.052 ( 4.184 -8.319 2.916) 9.758 5.370 ( -17.728 11.004 12.001) 24.070 5.442 ( 1.669 9.388 7.451) 12.101 5.764 ( -2.500 -0.824 -5.921) 6.480 5.889 ( 3.437 8.172 -9.511) 13.002 6.103 ( -5.396 8.524 -0.495) 10.101 6.262 ( -6.941 -6.650 7.481) 12.180 6.556 ( 3.175 -11.132 -5.572) 12.847 6.690 ( -0.208 -2.415 1.212) 2.710 6.826 ( 7.001 -4.464 0.425) 8.314 6.987 ( 0.267 -11.762 -3.845) 12.378 7.123 ( 1.004 -5.331 -2.485) 5.967 7.166 ( 1.693 0.976 1.077) 2.231 7.659 ( -4.046 -4.560 -2.240) 6.495 7.715 ( -3.687 -1.067 -12.120) 12.713 8.021 ( -14.682 -10.548 4.213) 18.562 8.498 ( -0.963 -6.074 -0.451) 6.167 8.551 ( 0.774 -9.274 0.070) 9.307 8.754 ( -2.678 -5.321 -2.868) 6.611 9.085 ( -3.523 3.019 4.363) 6.369 9.174 ( 3.817 -2.603 14.167) 14.901 9.402 ( 8.090 -8.462 1.527) 11.806 9.614 ( -0.337 -4.648 8.036) 9.290 9.823 ( -3.910 -2.369 -7.643) 8.906 9.911 ( 0.612 -2.104 5.558) 5.975 10.239 ( -0.723 -0.571 -4.293) 4.390 10.334 ( 7.130 -5.222 -1.486) 8.962 10.454 ( 2.717 2.379 5.261) 6.381 10.622 ( 10.193 -4.356 -2.718) 11.413 11.016 ( 0.313 -8.317 8.674) 12.021 11.177 ( 3.819 -6.562 -5.996) 9.675 11.404 ( 0.637 -1.291 2.431) 2.825 11.773 ( 8.742 -0.979 -17.006) 19.146 12.277 ( 3.104 1.203 -5.115) 6.103 12.480 ( -6.761 -2.682 7.440) 10.405 12.686 ( 1.551 10.807 2.253) 11.147 13.163 ( 1.850 9.122 1.070) 9.369 13.439 ( 2.228 -0.827 2.839) 3.703 13.752 ( 3.304 -0.026 -3.990) 5.181 14.682 ( -2.046 5.793 1.186) 6.257 14.877 ( 0.804 3.480 2.786) 4.529 15.335 ( 3.777 4.423 0.926) 5.889 15.396 ( -1.575 4.351 -2.373) 5.200 15.510 ( 2.694 3.438 2.916) 5.252 15.888 ( -7.629 -7.806 1.428) 11.008 16.213 ( 4.202 -2.427 1.591) 5.107 16.415 ( 0.049 -0.678 -8.252) 8.280 17.342 ( -0.202 -2.005 2.893) 3.526 17.458 ( 0.985 -2.428 0.551) 2.678 17.974 ( -0.367 -2.004 -1.401) 2.472 18.027 ( -0.723 -6.237 -1.449) 6.443 18.583 ( -0.732 0.235 -0.302) 0.826 18.798 ( 4.862 -1.650 -0.119) 5.136 19.046 ( 3.589 2.560 -0.048) 4.409 19.116 ( 3.287 -3.053 -0.847) 4.565 26.392 ( -2.889 -0.349 -2.505) 3.840 26.470 ( 1.800 1.119 2.524) 3.296 26.816 ( -6.804 -3.149 -0.308) 7.504 26.969 ( -4.674 -3.534 -0.829) 5.918 28.722 ( -0.320 6.121 0.753) 6.176 28.768 ( -3.117 3.489 -3.888) 6.083 29.047 ( -7.879 -0.599 5.696) 9.740 29.456 ( -6.600 -5.040 -1.117) 8.379 31.370 ( 2.177 3.329 -3.591) 5.359 31.481 ( 0.339 3.124 1.244) 3.379 31.781 ( 0.914 1.941 2.287) 3.136 32.053 ( -9.081 6.064 7.197) 13.078 32.428 ( -3.814 7.705 -3.464) 9.269 32.744 ( 8.102 12.593 -7.213) 16.620 33.264 ( 5.969 -5.842 -0.000) 8.352 33.811 ( 16.652 -1.462 3.996) 17.187 ======================= Grid point 130 (62/126) ======================= q-point: (-0.12 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -15.226 31.985 9.466) 36.667 3.007 ( -8.885 39.150 6.474) 40.664 3.417 ( -13.739 18.904 -7.635) 24.585 4.049 ( -5.990 10.986 -17.735) 21.705 4.281 ( -14.804 4.370 -1.029) 15.470 4.333 ( -6.876 6.039 -1.224) 9.233 4.833 ( -6.808 17.214 12.931) 22.581 5.060 ( -3.935 4.426 9.500) 11.195 5.207 ( 3.997 -6.990 6.078) 10.089 5.529 ( 3.112 4.385 6.455) 8.401 5.662 ( -3.303 -0.685 -0.527) 3.414 5.921 ( -7.933 -1.926 -3.281) 8.798 6.097 ( 10.314 7.237 -16.222) 20.540 6.126 ( -4.468 -2.232 5.650) 7.541 6.489 ( -5.686 -6.072 2.431) 8.667 6.737 ( 2.420 -3.099 -0.470) 3.960 6.910 ( -0.015 -12.534 -0.480) 12.544 7.047 ( 5.792 -2.341 -12.893) 14.327 7.214 ( 4.333 0.737 -11.833) 12.622 7.244 ( 5.204 -9.242 8.833) 13.803 7.568 ( -5.219 -1.831 3.603) 6.601 7.655 ( -1.888 1.337 -11.357) 11.590 7.712 ( -10.369 -4.480 1.956) 11.464 8.454 ( -2.497 -4.656 -2.552) 5.868 8.632 ( 5.445 -3.438 8.146) 10.384 8.727 ( -0.379 -4.227 -2.172) 4.768 8.965 ( -6.179 4.122 5.715) 9.372 9.318 ( 7.193 -5.441 9.979) 13.451 9.518 ( 1.609 -3.358 3.684) 5.238 9.603 ( -2.704 -9.987 3.967) 11.081 9.728 ( -1.849 -1.372 -3.705) 4.362 9.974 ( 4.644 -2.987 3.172) 6.368 10.219 ( -0.358 -6.214 -4.588) 7.732 10.400 ( -1.472 -2.568 -0.832) 3.075 10.526 ( 4.320 4.663 1.000) 6.435 10.845 ( 8.450 -6.600 -2.353) 10.977 11.051 ( 3.933 -7.790 5.605) 10.372 11.221 ( -0.186 -7.708 -1.570) 7.869 11.365 ( -4.002 -6.710 3.270) 8.470 11.843 ( -1.076 -5.864 -11.147) 12.641 12.291 ( -4.933 -2.191 4.513) 7.036 12.386 ( 0.844 0.345 -4.551) 4.642 12.791 ( 8.216 11.089 2.444) 14.015 13.152 ( -2.891 10.423 1.450) 10.913 13.487 ( 2.095 0.632 1.977) 2.949 13.835 ( 5.045 -0.027 -9.051) 10.362 14.658 ( -0.108 6.726 2.967) 7.352 14.925 ( 2.152 1.175 7.781) 8.158 15.266 ( -5.027 1.370 -0.296) 5.219 15.432 ( 1.220 3.346 -5.392) 6.462 15.557 ( -0.280 1.420 5.689) 5.870 15.798 ( 0.062 0.299 1.777) 1.803 16.299 ( 3.779 -3.926 0.392) 5.463 16.391 ( -1.948 -0.978 -6.999) 7.330 17.345 ( 0.413 -1.358 2.305) 2.707 17.466 ( -0.197 -3.227 0.463) 3.266 17.973 ( 0.227 -1.710 -1.091) 2.041 18.020 ( 0.114 -7.010 -1.886) 7.260 18.585 ( 0.778 -0.317 1.281) 1.531 18.882 ( 2.704 -2.553 -2.089) 4.265 19.067 ( -0.671 -1.131 1.839) 2.261 19.253 ( 7.645 0.791 -4.853) 9.089 26.307 ( -3.785 0.843 -2.802) 4.784 26.542 ( 4.674 0.736 4.814) 6.750 26.664 ( -7.731 -2.263 -2.366) 8.396 26.860 ( -4.752 -1.909 -0.392) 5.136 28.698 ( -2.068 4.236 -2.358) 5.270 28.717 ( -1.053 5.515 0.042) 5.615 28.912 ( -4.514 0.709 6.216) 7.715 29.316 ( -5.539 -4.782 -3.020) 7.916 31.400 ( 0.812 4.932 -2.319) 5.510 31.491 ( 0.211 3.795 0.785) 3.881 31.738 ( -5.669 -0.178 10.854) 12.247 31.970 ( 2.226 4.317 -2.080) 5.284 32.353 ( -3.050 7.802 -0.618) 8.400 32.869 ( 3.134 8.896 -12.438) 15.610 33.417 ( 7.970 -3.728 7.489) 11.554 34.111 ( 10.050 -4.864 -0.592) 11.181 ======================= Grid point 131 (63/126) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -0.443 33.684 6.175) 34.248 3.452 ( -2.736 9.789 -6.190) 11.900 3.704 ( 0.816 37.804 4.722) 38.106 4.052 ( -1.016 -3.988 -1.417) 4.353 4.244 ( 0.891 -5.242 -5.788) 7.859 4.417 ( 1.057 22.525 -13.483) 26.273 4.816 ( 0.146 -3.107 -0.627) 3.173 5.081 ( 1.835 -8.465 2.247) 8.948 5.154 ( -2.980 -0.606 0.784) 3.141 5.467 ( -0.652 -12.927 -1.534) 13.034 5.688 ( 1.016 -7.467 11.717) 13.931 5.738 ( 4.510 2.723 4.683) 7.049 6.134 ( 0.135 -3.875 -5.125) 6.426 6.198 ( -8.223 21.589 5.513) 23.750 6.530 ( 0.926 -2.832 4.337) 5.262 6.617 ( -1.427 -13.935 4.746) 14.790 6.684 ( 3.884 -5.769 2.957) 7.557 7.003 ( -3.319 1.413 1.388) 3.865 7.199 ( 2.872 -1.467 -12.695) 13.098 7.331 ( 5.952 -3.082 -7.215) 9.848 7.447 ( -4.890 0.303 -0.850) 4.973 7.735 ( -1.532 8.334 1.795) 8.662 7.758 ( 8.697 5.755 -3.567) 11.021 8.325 ( -2.578 -3.912 -1.606) 4.953 8.518 ( -3.555 -7.403 -7.251) 10.955 8.796 ( 0.363 -7.850 -5.609) 9.654 8.880 ( -0.199 8.138 15.498) 17.506 9.296 ( 0.523 -5.337 3.124) 6.207 9.367 ( -5.210 -0.626 7.827) 9.423 9.566 ( 1.549 -2.052 10.608) 10.915 9.685 ( 0.864 -2.018 -1.782) 2.827 9.946 ( 1.239 -7.737 6.887) 10.432 10.142 ( 2.638 -0.871 -6.876) 7.416 10.298 ( -0.913 -5.007 -0.602) 5.125 10.642 ( -0.172 1.704 -0.607) 1.817 10.841 ( 2.475 -4.405 -4.475) 6.749 10.956 ( -3.670 -4.731 0.396) 6.001 11.071 ( -4.302 -5.564 2.257) 7.386 11.200 ( 3.265 -1.351 -1.368) 3.789 11.635 ( -0.090 -9.305 -7.430) 11.908 12.174 ( -2.612 1.876 1.579) 3.583 12.443 ( 2.996 -3.036 -5.729) 7.143 13.105 ( 0.695 9.623 3.637) 10.311 13.324 ( -0.242 11.950 -0.798) 11.979 13.503 ( 0.858 -2.543 2.528) 3.687 13.880 ( 2.558 -6.035 -8.574) 10.793 14.784 ( 1.741 3.924 6.413) 7.717 14.910 ( -2.427 -0.009 10.745) 11.016 15.215 ( -1.604 1.079 -1.986) 2.772 15.341 ( -3.121 -3.222 0.209) 4.490 15.686 ( 1.443 6.256 -1.603) 6.617 15.880 ( 0.683 1.252 -1.624) 2.161 16.251 ( -1.078 -0.304 -0.351) 1.173 16.389 ( 1.480 -1.056 -2.220) 2.869 17.352 ( 0.580 0.215 0.466) 0.775 17.405 ( -0.171 -2.129 -0.215) 2.147 17.922 ( 0.326 -3.502 -0.479) 3.549 17.945 ( 0.431 -2.076 -0.691) 2.230 18.599 ( 0.276 0.533 2.746) 2.811 18.814 ( -0.973 -5.504 -1.374) 5.756 19.075 ( -0.014 2.847 0.245) 2.858 19.306 ( -0.462 -2.928 -5.453) 6.206 26.334 ( 2.241 2.088 1.062) 3.242 26.476 ( -5.084 -1.578 -3.413) 6.324 26.657 ( 3.520 0.992 3.139) 4.820 26.771 ( -0.476 -1.700 -0.678) 1.890 28.759 ( 1.356 3.263 -0.248) 3.542 28.804 ( -0.958 5.320 -0.735) 5.456 28.876 ( 0.212 0.113 4.803) 4.809 29.149 ( 0.023 -6.045 -2.295) 6.467 31.481 ( -0.234 3.195 0.625) 3.264 31.569 ( 0.411 3.108 0.658) 3.203 31.704 ( -1.593 4.496 5.320) 7.145 32.013 ( 0.644 -3.604 -0.101) 3.663 32.494 ( -0.158 10.393 -2.344) 10.656 32.915 ( 0.214 -2.858 -15.379) 15.644 33.593 ( 2.054 6.484 13.161) 14.815 34.067 ( -2.291 -6.493 -2.413) 7.296 ======================= Grid point 132 (64/126) ======================= q-point: ( 0.12 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 11.982 31.110 5.318) 33.760 3.537 ( 9.644 13.851 -4.582) 17.489 3.836 ( 11.592 32.006 2.506) 34.132 4.122 ( 6.760 -0.592 -3.278) 7.536 4.352 ( 7.668 -4.992 -5.325) 10.586 4.534 ( 10.465 15.825 -10.674) 21.769 4.843 ( 2.706 -3.114 -0.987) 4.242 5.084 ( -0.896 -7.555 5.287) 9.265 5.145 ( 2.181 1.553 -2.596) 3.729 5.506 ( 4.074 -5.714 -0.988) 7.087 5.683 ( -1.464 -3.165 16.840) 17.197 5.870 ( 4.883 -4.958 0.525) 6.979 6.060 ( -2.780 26.156 -1.403) 26.341 6.188 ( 5.152 -7.703 -7.803) 12.115 6.521 ( -1.790 -4.336 6.406) 7.940 6.595 ( -1.399 -13.412 6.853) 15.126 6.755 ( 2.435 -11.622 3.487) 12.376 6.963 ( -0.482 8.600 -1.714) 8.783 7.210 ( -3.079 -2.339 -4.074) 5.616 7.308 ( -1.543 -0.116 -9.126) 9.257 7.542 ( 7.949 -1.488 -3.524) 8.821 7.714 ( 0.419 5.950 10.958) 12.476 7.911 ( 5.756 2.097 -6.124) 8.662 8.240 ( -4.578 0.142 -5.008) 6.786 8.426 ( -4.001 -10.133 -4.956) 11.969 8.659 ( -6.792 -6.954 0.328) 9.726 9.001 ( 4.931 3.009 8.164) 10.001 9.255 ( -4.931 -0.575 6.530) 8.203 9.270 ( -2.720 -3.457 1.022) 4.516 9.566 ( -1.802 -9.425 7.946) 12.459 9.705 ( -0.442 0.786 3.956) 4.058 9.995 ( 3.701 -5.150 6.486) 9.071 10.148 ( -1.057 2.339 -4.547) 5.221 10.289 ( -0.340 -5.177 -3.358) 6.180 10.617 ( -2.993 0.117 1.097) 3.190 10.816 ( -6.350 0.320 -2.140) 6.709 10.860 ( -0.950 -2.850 -2.429) 3.864 11.024 ( 1.378 -6.782 -2.141) 7.244 11.289 ( 1.169 -0.682 -0.082) 1.356 11.645 ( 1.120 -10.055 -7.364) 12.513 12.169 ( 2.115 2.563 -1.246) 3.549 12.506 ( 2.499 -3.729 -2.726) 5.252 13.038 ( -5.076 10.992 3.499) 12.603 13.350 ( 0.944 10.215 -0.590) 10.276 13.494 ( -1.690 -2.685 3.525) 4.742 13.885 ( -2.504 -8.364 -6.282) 10.756 14.820 ( 0.973 3.039 7.129) 7.810 14.866 ( -0.760 2.222 6.918) 7.306 15.218 ( 1.752 0.720 -2.542) 3.170 15.330 ( 2.385 -3.807 -0.916) 4.585 15.688 ( -1.067 5.446 -1.141) 5.666 15.837 ( -4.420 1.644 -0.280) 4.725 16.220 ( -1.686 1.752 0.013) 2.432 16.418 ( 0.929 -2.098 -2.436) 3.346 17.361 ( 0.253 -0.029 0.874) 0.910 17.405 ( 0.158 -1.783 -0.142) 1.796 17.930 ( 0.477 -3.518 -0.383) 3.571 17.958 ( 0.801 -2.206 -0.553) 2.411 18.606 ( 0.329 0.354 2.717) 2.759 18.780 ( -2.377 -3.480 -2.540) 4.920 19.054 ( -1.859 1.822 0.090) 2.604 19.228 ( -5.802 -1.665 -3.955) 7.217 26.372 ( -1.508 1.704 -1.775) 2.886 26.433 ( 3.554 -1.552 1.309) 4.093 26.716 ( 2.301 0.418 0.579) 2.409 26.822 ( 4.630 -2.553 -0.050) 5.288 28.784 ( 0.545 4.299 -0.736) 4.396 28.842 ( 3.953 4.653 -0.828) 6.161 28.911 ( 3.520 -0.752 5.321) 6.424 29.207 ( 5.082 -7.050 -1.826) 8.880 31.461 ( -1.497 3.764 1.331) 4.264 31.569 ( -0.145 3.987 -1.441) 4.242 31.712 ( 1.765 4.698 4.697) 6.874 32.023 ( -0.015 -4.904 1.149) 5.036 32.528 ( 3.861 10.121 -3.223) 11.301 32.909 ( -0.287 0.389 -13.511) 13.520 33.567 ( -4.770 2.909 13.629) 14.730 33.910 ( -11.899 -2.810 -3.645) 12.758 ======================= Grid point 133 (65/126) ======================= q-point: ( 0.25 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 12.222 26.355 5.541) 29.574 3.812 ( 15.497 17.592 -3.565) 23.714 4.101 ( 9.797 23.101 2.955) 25.266 4.315 ( 10.306 7.155 -8.125) 14.947 4.544 ( 12.137 -5.511 -2.131) 13.499 4.780 ( 9.687 10.996 -8.744) 17.064 4.936 ( 6.222 -5.192 -5.132) 9.592 5.114 ( 4.263 -4.650 8.855) 10.872 5.217 ( 4.408 4.066 -2.116) 6.359 5.600 ( 3.818 -4.571 -0.523) 5.979 5.648 ( -1.340 5.819 9.135) 10.913 5.903 ( 0.460 -1.847 0.344) 1.934 6.102 ( 5.145 11.741 -7.959) 15.088 6.338 ( 6.858 -2.287 -4.095) 8.308 6.444 ( -5.893 -1.984 3.266) 7.023 6.563 ( -0.640 -6.464 5.042) 8.223 6.745 ( -4.185 -8.767 4.996) 10.924 6.994 ( 3.717 2.394 3.584) 5.692 7.099 ( -5.910 -4.430 -5.384) 9.140 7.283 ( -2.976 -4.258 1.621) 5.441 7.660 ( 3.909 -1.116 -1.109) 4.214 7.812 ( 7.190 -0.540 7.962) 10.741 8.013 ( 4.579 -2.716 -4.667) 7.080 8.158 ( -1.659 -3.999 -9.098) 10.075 8.417 ( 3.462 -8.514 1.869) 9.379 8.531 ( -5.368 -7.501 -2.300) 9.506 9.052 ( -0.140 -0.319 6.123) 6.133 9.163 ( -3.546 -1.037 7.355) 8.231 9.220 ( -1.276 -1.931 0.614) 2.394 9.484 ( -5.525 -10.476 -0.852) 11.874 9.706 ( 1.824 5.453 10.747) 12.189 10.072 ( 2.347 -5.369 5.428) 7.987 10.135 ( -0.896 1.082 -3.110) 3.413 10.267 ( -0.984 -5.687 -2.834) 6.430 10.513 ( -5.257 6.205 0.906) 8.183 10.721 ( -3.765 0.992 0.006) 3.893 10.817 ( -2.778 -0.083 -2.914) 4.027 11.103 ( 4.719 -7.182 -4.947) 9.916 11.213 ( -6.690 1.680 -2.261) 7.259 11.654 ( -1.123 -11.524 -8.407) 14.309 12.251 ( 5.026 2.090 -3.838) 6.660 12.509 ( -3.064 -2.294 1.199) 4.011 12.961 ( -1.357 9.689 4.123) 10.617 13.328 ( -3.075 7.659 -0.889) 8.301 13.439 ( -3.361 -2.200 4.536) 6.059 13.783 ( -5.929 -6.177 -3.477) 9.241 14.854 ( 1.528 2.161 2.152) 3.411 14.859 ( 1.012 2.735 5.156) 5.924 15.299 ( 4.701 1.574 -2.427) 5.520 15.399 ( 2.459 -1.736 -1.480) 3.354 15.640 ( -3.634 3.522 1.992) 5.439 15.753 ( -0.865 -0.465 0.392) 1.057 16.180 ( -2.145 3.200 -0.008) 3.852 16.424 ( -0.252 -2.715 -3.472) 4.415 17.361 ( -0.274 0.121 1.469) 1.499 17.407 ( -0.092 -1.387 0.058) 1.391 17.946 ( 1.036 -3.352 -0.507) 3.545 17.977 ( 0.899 -2.368 -0.366) 2.560 18.616 ( 0.640 0.585 1.569) 1.793 18.713 ( -3.521 1.040 -2.692) 4.553 19.007 ( -2.364 -1.157 -0.375) 2.659 19.103 ( -5.461 -1.211 -1.130) 5.707 26.363 ( 1.053 2.822 -1.326) 3.291 26.495 ( 1.510 -2.685 1.627) 3.483 26.789 ( 4.376 -0.261 -0.248) 4.391 26.916 ( 3.664 -3.789 -0.034) 5.271 28.802 ( 1.148 5.322 -0.420) 5.460 28.901 ( 1.893 4.504 -0.690) 4.934 29.041 ( 7.486 -2.554 4.676) 9.189 29.334 ( 6.079 -8.187 -1.045) 10.250 31.424 ( -1.955 3.827 1.585) 4.580 31.566 ( -0.164 2.815 -1.970) 3.440 31.763 ( 2.727 4.887 3.323) 6.509 32.029 ( 1.534 -1.070 -1.281) 2.267 32.655 ( 7.789 6.959 -1.888) 10.614 32.906 ( 0.459 4.857 -10.251) 11.353 33.406 ( -10.364 -0.686 12.186) 16.012 33.604 ( -15.831 1.683 -3.413) 16.282 ======================= Grid point 134 (66/126) ======================= q-point: ( 0.38 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 6.716 21.785 7.508) 24.001 4.117 ( 9.543 19.141 5.011) 21.967 4.232 ( 6.644 15.467 -3.115) 17.120 4.529 ( 10.942 0.976 -12.990) 17.012 4.829 ( 9.463 6.152 -3.314) 11.763 4.841 ( -1.653 10.287 -7.998) 13.135 5.086 ( 4.984 1.205 -5.795) 7.738 5.182 ( 3.001 3.683 13.059) 13.897 5.373 ( 8.288 -3.240 -1.139) 8.972 5.619 ( 0.282 -3.589 3.888) 5.299 5.680 ( 2.108 4.611 -7.952) 9.431 5.959 ( 4.611 2.851 -1.555) 5.640 6.184 ( -0.383 1.261 -0.326) 1.358 6.279 ( -5.645 2.680 2.191) 6.622 6.437 ( 3.935 0.349 -5.452) 6.733 6.602 ( 1.887 -0.035 -1.754) 2.576 6.627 ( -5.776 -8.411 7.168) 12.469 6.978 ( -4.375 -7.383 -2.457) 8.926 7.088 ( 4.005 -4.667 4.932) 7.883 7.186 ( -5.147 -2.257 7.023) 8.995 7.706 ( 0.269 -9.948 1.160) 10.019 7.923 ( 1.982 3.060 -1.152) 3.823 8.098 ( 3.385 -2.441 0.525) 4.206 8.191 ( 2.465 -20.904 -0.829) 21.066 8.440 ( -2.165 -5.753 -3.256) 6.956 8.530 ( 5.812 -3.758 1.815) 7.155 9.028 ( -1.640 -2.123 3.777) 4.633 9.137 ( 1.052 -2.885 1.314) 3.340 9.239 ( 3.550 -1.305 5.234) 6.457 9.383 ( -3.405 -6.645 1.219) 7.566 9.787 ( 5.365 6.606 6.833) 10.914 10.043 ( -6.188 -3.138 1.810) 7.171 10.110 ( 0.200 -3.429 2.874) 4.479 10.273 ( 0.779 -4.047 1.132) 4.274 10.443 ( -0.674 9.269 -2.525) 9.630 10.612 ( -6.567 1.847 0.845) 6.874 10.737 ( -4.612 1.591 -1.696) 5.165 11.079 ( -4.214 -1.524 -7.447) 8.691 11.201 ( 4.271 -2.094 -6.270) 7.870 11.593 ( -3.651 -9.189 -9.522) 13.727 12.354 ( 4.517 -1.106 -3.951) 6.102 12.384 ( -7.511 -0.230 4.193) 8.605 12.973 ( 1.391 7.435 4.984) 9.058 13.237 ( -4.670 5.108 -0.858) 6.974 13.372 ( -2.534 -0.240 4.251) 4.954 13.679 ( -3.217 -3.896 -3.348) 6.061 14.877 ( 2.511 3.399 1.957) 4.657 14.934 ( 3.683 2.178 0.789) 4.351 15.313 ( -4.003 4.230 -0.267) 5.830 15.365 ( -4.544 2.226 -1.155) 5.191 15.653 ( 5.499 -0.544 4.059) 6.857 15.803 ( 3.589 -4.213 0.979) 5.621 16.135 ( -1.737 3.757 -1.223) 4.316 16.411 ( -0.713 -2.668 -5.115) 5.813 17.353 ( -0.509 0.447 2.082) 2.190 17.401 ( -0.351 -0.902 0.144) 0.978 17.969 ( 0.951 -3.075 -0.679) 3.290 17.988 ( -0.025 -2.251 -0.388) 2.285 18.625 ( -0.067 1.507 -0.739) 1.680 18.663 ( -0.495 2.671 0.203) 2.724 18.963 ( -1.596 -3.459 -0.855) 3.904 19.006 ( -3.571 -1.709 0.087) 3.959 26.402 ( 2.242 2.997 -0.103) 3.744 26.507 ( -0.200 -1.046 0.701) 1.275 26.876 ( 3.395 -1.806 -0.233) 3.853 26.968 ( 1.170 -4.672 -0.223) 4.821 28.827 ( 1.080 6.111 0.120) 6.207 28.929 ( 0.662 4.037 -1.093) 4.234 29.184 ( 5.200 -3.717 4.872) 8.037 29.435 ( 3.223 -8.060 -1.002) 8.738 31.382 ( -1.817 3.924 1.319) 4.521 31.553 ( -1.134 0.498 0.732) 1.439 31.822 ( 2.721 5.976 -0.155) 6.568 32.115 ( 6.659 2.139 -6.213) 9.355 32.816 ( 5.009 6.253 0.509) 8.028 32.940 ( 3.955 8.374 -3.182) 9.793 33.162 ( -11.401 -3.007 6.221) 13.332 33.284 ( -13.487 2.358 -1.406) 13.764 ======================= Grid point 135 (67/126) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 0.794 21.943 9.637) 23.979 4.164 ( -3.252 18.280 6.425) 19.648 4.405 ( 5.326 10.625 -7.511) 14.060 4.690 ( -0.760 -2.589 -12.339) 12.631 4.783 ( 4.733 9.581 -9.357) 14.205 4.967 ( 2.229 13.655 -1.026) 13.874 5.065 ( -5.528 7.934 3.339) 10.230 5.233 ( -1.358 11.711 5.505) 13.012 5.449 ( -1.535 -0.534 -0.095) 1.628 5.609 ( -2.873 -14.153 -8.072) 16.545 5.741 ( 5.120 1.113 -6.701) 8.507 5.977 ( -4.165 3.486 4.160) 6.841 6.164 ( 4.678 -1.603 -2.334) 5.468 6.283 ( 0.672 -0.150 10.557) 10.580 6.522 ( 1.702 -2.960 -2.215) 4.070 6.534 ( -2.396 -5.083 -4.398) 7.135 6.588 ( -0.019 0.108 -5.586) 5.587 6.930 ( -1.248 -5.110 4.476) 6.907 7.098 ( -1.611 0.514 5.438) 5.695 7.167 ( 2.329 -5.478 7.100) 9.265 7.694 ( -1.094 -13.289 1.291) 13.397 7.873 ( -5.722 -3.030 -5.140) 8.266 8.108 ( -3.689 -0.469 0.946) 3.837 8.231 ( 1.782 -16.219 -0.005) 16.316 8.435 ( 2.452 -5.173 1.442) 5.904 8.652 ( 4.268 -5.092 2.741) 7.187 8.999 ( -1.150 -4.093 2.120) 4.751 9.114 ( -3.864 -3.278 -2.496) 5.649 9.325 ( 0.761 -1.110 1.884) 2.316 9.416 ( 8.637 -4.058 13.341) 16.403 9.864 ( -3.096 2.683 -3.019) 5.089 9.948 ( 2.297 -1.405 3.033) 4.056 10.081 ( -3.920 -0.811 6.452) 7.593 10.256 ( -1.682 -3.937 6.184) 7.521 10.463 ( -1.723 2.773 -3.923) 5.104 10.488 ( -2.242 4.160 -2.992) 5.593 10.717 ( 5.911 3.421 -3.496) 7.672 11.025 ( -1.222 -3.123 -7.749) 8.444 11.298 ( 5.131 1.855 -5.357) 7.646 11.529 ( -1.556 -6.138 -9.862) 11.720 12.248 ( -4.249 0.086 2.568) 4.966 12.438 ( 3.201 -5.701 -1.750) 6.768 12.970 ( -2.530 7.651 5.374) 9.686 13.184 ( 0.760 4.754 -0.883) 4.894 13.344 ( -0.271 0.997 3.689) 3.831 13.646 ( -0.006 -3.222 -3.434) 4.709 14.937 ( -0.521 3.552 0.906) 3.703 14.963 ( 0.329 3.356 0.146) 3.375 15.240 ( -0.484 4.343 0.827) 4.447 15.299 ( -0.205 2.495 -0.294) 2.521 15.728 ( -0.819 -2.131 3.327) 4.035 15.875 ( 3.073 -4.332 3.542) 6.384 16.114 ( -0.114 3.814 -2.171) 4.390 16.400 ( -0.122 -1.857 -6.695) 6.949 17.341 ( -0.639 0.229 2.239) 2.339 17.398 ( 0.120 -0.814 0.230) 0.854 17.973 ( -1.031 -2.254 -0.834) 2.615 17.980 ( -0.196 -2.654 -0.697) 2.751 18.637 ( 1.502 2.436 -0.028) 2.862 18.664 ( -0.071 2.081 0.429) 2.126 18.947 ( 0.223 -3.292 -0.528) 3.341 18.961 ( -0.336 -3.036 -0.236) 3.063 26.443 ( 1.318 2.693 0.918) 3.135 26.493 ( -1.024 0.100 -0.084) 1.032 26.920 ( 0.386 -2.315 0.205) 2.356 26.969 ( -0.633 -4.986 -0.794) 5.089 28.844 ( 0.515 6.467 0.649) 6.520 28.927 ( -0.852 3.654 -1.674) 4.109 29.236 ( -0.668 -3.659 4.942) 6.185 29.470 ( 0.178 -7.608 -1.157) 7.698 31.358 ( -0.334 3.643 0.264) 3.668 31.524 ( -1.427 -0.501 2.895) 3.266 31.872 ( 1.746 7.609 -2.870) 8.318 32.281 ( 7.898 1.277 -8.815) 11.904 32.748 ( -9.228 9.718 5.401) 14.449 32.957 ( -8.118 6.474 1.301) 10.465 33.052 ( 0.833 -2.651 0.502) 2.824 33.187 ( 9.464 1.379 -0.763) 9.594 ======================= Grid point 136 (68/126) ======================= q-point: (-0.38 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( -4.866 26.353 8.561) 28.133 3.993 ( -10.544 22.997 2.066) 25.383 4.403 ( -7.514 4.730 -6.480) 10.992 4.657 ( 0.973 1.556 -6.838) 7.080 4.824 ( -9.761 6.469 -3.390) 12.191 4.885 ( -5.087 16.782 -7.182) 18.949 4.935 ( -4.237 8.704 4.589) 10.713 5.101 ( -11.953 7.230 2.915) 14.270 5.388 ( -2.497 -13.476 -1.908) 13.837 5.540 ( -2.380 -6.958 -2.909) 7.908 5.795 ( -0.807 2.463 -5.462) 6.045 5.994 ( 6.227 -6.783 -5.115) 10.533 6.171 ( -6.410 9.224 4.789) 12.210 6.274 ( -0.302 -9.518 11.807) 15.169 6.480 ( -0.019 -11.175 -7.469) 13.441 6.576 ( 2.872 2.013 3.204) 4.751 6.677 ( 6.908 8.967 -6.470) 13.038 6.876 ( -4.267 -4.125 5.651) 8.195 7.104 ( 1.336 0.300 1.628) 2.128 7.193 ( -0.628 -1.699 9.326) 9.501 7.654 ( -3.379 -7.251 0.752) 8.035 7.755 ( -3.042 -4.533 -12.398) 13.546 7.991 ( -6.077 -4.847 2.929) 8.307 8.270 ( 1.367 -14.826 -0.193) 14.890 8.450 ( -2.255 -1.300 0.390) 2.632 8.695 ( -0.449 -6.153 5.328) 8.151 8.971 ( -0.496 -3.171 1.188) 3.422 9.090 ( 3.877 -6.263 -4.181) 8.470 9.331 ( -0.560 4.106 9.244) 10.130 9.575 ( 3.470 -4.718 11.972) 13.328 9.767 ( -3.136 2.158 1.999) 4.300 9.975 ( -3.633 -1.545 0.849) 4.038 10.068 ( 7.164 -1.959 -4.208) 8.536 10.227 ( -1.636 -6.905 7.173) 10.090 10.406 ( -0.855 3.238 -6.628) 7.426 10.513 ( 2.791 1.557 -2.502) 4.059 10.879 ( 5.224 0.670 4.255) 6.771 11.030 ( 2.410 -2.381 -8.711) 9.346 11.379 ( 1.190 0.387 -0.859) 1.517 11.564 ( 5.802 -3.859 -13.292) 15.008 12.225 ( 1.841 0.334 -1.992) 2.733 12.470 ( -0.757 -7.524 1.813) 7.776 12.906 ( -2.340 9.613 3.729) 10.573 13.246 ( 4.176 3.853 -0.291) 5.689 13.362 ( 1.824 1.659 3.631) 4.389 13.671 ( 2.276 -2.443 -3.371) 4.745 14.844 ( -4.687 4.387 1.122) 6.517 14.957 ( -2.570 1.557 1.224) 3.244 15.298 ( 5.841 4.335 -0.406) 7.285 15.380 ( 6.030 2.093 -0.626) 6.414 15.647 ( -5.638 1.794 3.793) 7.028 15.871 ( -3.883 -7.232 1.793) 8.402 16.143 ( 2.670 3.757 0.473) 4.633 16.399 ( 0.032 -1.667 -6.533) 6.742 17.330 ( -0.332 0.136 1.713) 1.750 17.406 ( 0.543 -1.344 0.297) 1.480 17.946 ( -1.224 -2.157 -1.192) 2.751 17.966 ( -1.041 -2.812 -0.789) 3.100 18.638 ( -1.352 2.374 0.006) 2.732 18.703 ( 3.638 1.632 0.531) 4.023 18.981 ( 3.066 -2.011 -1.252) 3.875 18.984 ( 2.168 -3.629 0.402) 4.247 26.446 ( -1.311 1.491 0.872) 2.169 26.475 ( -0.251 0.645 -0.015) 0.693 26.879 ( -3.808 -2.208 -0.118) 4.404 26.954 ( -1.286 -4.154 -0.573) 4.387 28.848 ( -0.186 6.250 0.962) 6.326 28.893 ( -2.286 3.396 -2.029) 4.569 29.166 ( -5.515 -2.073 4.040) 7.144 29.438 ( -3.343 -7.830 -0.730) 8.545 31.372 ( 1.599 2.815 -1.035) 3.399 31.505 ( -0.304 -0.429 3.066) 3.111 31.886 ( -0.439 7.815 -1.915) 8.059 32.327 ( -5.894 0.186 0.532) 5.921 32.627 ( -0.738 7.743 -4.469) 8.971 32.797 ( -3.902 2.285 -3.345) 5.624 33.137 ( 6.215 5.314 3.229) 8.792 33.456 ( 14.281 -0.950 2.450) 14.521 ======================= Grid point 137 (69/126) ======================= q-point: (-0.25 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -14.131 31.016 5.947) 34.598 3.812 ( -6.846 26.102 -0.229) 26.986 4.118 ( -16.922 8.600 -2.284) 19.119 4.504 ( -15.113 12.563 -3.305) 19.928 4.636 ( -10.042 10.455 -4.537) 15.189 4.677 ( -15.070 4.034 0.217) 15.603 4.859 ( -0.940 -5.069 -3.312) 6.127 4.912 ( -0.454 -0.277 -5.508) 5.533 5.337 ( -3.198 -11.225 2.248) 11.886 5.507 ( -0.848 -4.189 3.806) 5.723 5.724 ( -5.049 -1.830 -4.294) 6.877 5.997 ( -8.117 -10.080 8.636) 15.558 6.157 ( 1.525 5.045 -1.568) 5.499 6.240 ( 2.976 -3.689 -1.497) 4.971 6.524 ( 2.248 -3.170 -0.509) 3.920 6.609 ( -0.373 9.372 7.263) 11.863 6.723 ( -4.257 -4.955 4.083) 7.704 6.897 ( 8.376 2.068 -7.096) 11.171 7.094 ( -2.436 2.770 2.138) 4.264 7.206 ( 3.704 1.084 -0.639) 3.912 7.560 ( -4.199 -3.886 -0.396) 5.735 7.737 ( -1.546 -2.925 -10.961) 11.449 7.843 ( -7.282 -3.526 3.800) 8.938 8.304 ( 3.219 -14.079 0.053) 14.443 8.435 ( 1.585 -0.265 -0.585) 1.710 8.638 ( -2.397 -6.126 -1.459) 6.738 9.053 ( 5.903 -1.601 3.986) 7.300 9.161 ( -0.270 -3.918 2.963) 4.919 9.338 ( 3.272 3.328 8.911) 10.059 9.574 ( -1.341 -0.799 10.694) 10.807 9.753 ( -0.709 -2.657 0.621) 2.820 9.911 ( -1.881 -0.113 1.221) 2.245 10.160 ( -4.222 -6.579 -1.867) 8.037 10.238 ( 6.662 -5.485 0.411) 8.639 10.482 ( 7.546 1.017 -4.378) 8.783 10.581 ( 4.277 -0.692 -3.021) 5.282 10.920 ( 0.240 -0.977 4.954) 5.056 11.092 ( 2.434 -2.169 -6.811) 7.551 11.358 ( -2.730 -3.033 0.949) 4.189 11.682 ( 2.945 -8.058 -10.918) 13.885 12.295 ( 3.920 0.746 -5.765) 7.011 12.403 ( -5.025 -4.257 3.421) 7.421 12.904 ( 2.477 11.241 2.994) 11.894 13.337 ( 3.747 5.566 -0.646) 6.741 13.408 ( 2.117 0.091 3.746) 4.304 13.734 ( 3.528 -2.052 -4.237) 5.883 14.776 ( -1.795 4.127 1.885) 4.879 14.908 ( -0.993 0.046 3.886) 4.012 15.408 ( 0.440 3.016 1.982) 3.636 15.465 ( 0.709 2.153 -3.904) 4.515 15.571 ( 1.136 3.305 2.998) 4.604 15.772 ( -2.797 -4.371 0.655) 5.230 16.203 ( 2.669 1.500 1.618) 3.463 16.392 ( -0.658 -2.044 -5.370) 5.784 17.329 ( 0.238 0.418 0.898) 1.018 17.415 ( 0.178 -2.013 0.260) 2.037 17.926 ( -0.606 -2.704 -0.969) 2.936 17.944 ( -0.793 -2.600 -0.992) 2.893 18.609 ( -1.121 2.319 0.621) 2.650 18.781 ( 3.144 -0.707 -0.406) 3.248 19.023 ( 1.795 -2.739 0.631) 3.335 19.092 ( 6.818 -0.650 -2.089) 7.161 26.399 ( -2.916 1.021 -1.460) 3.418 26.481 ( 0.924 -0.212 2.258) 2.449 26.780 ( -5.275 -0.562 -0.489) 5.328 26.901 ( -3.577 -3.422 -0.334) 4.962 28.828 ( -2.692 3.633 -1.765) 4.854 28.844 ( -0.992 5.460 0.874) 5.618 29.031 ( -6.667 -0.694 3.457) 7.542 29.333 ( -6.149 -7.447 -0.921) 9.702 31.418 ( 2.558 2.135 -1.690) 3.736 31.514 ( 1.098 0.092 2.740) 2.953 31.853 ( -2.670 5.823 1.283) 6.533 32.147 ( -8.429 2.361 3.872) 9.572 32.577 ( -3.412 7.330 -3.137) 8.672 32.831 ( 4.212 -2.382 -13.979) 14.793 33.302 ( 8.832 9.020 8.217) 15.062 33.761 ( 13.783 -3.855 2.005) 14.452 ======================= Grid point 138 (70/126) ======================= q-point: (-0.12 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -12.795 32.881 5.216) 35.667 3.638 ( -11.134 16.914 -3.141) 20.492 3.791 ( -10.256 28.023 2.266) 29.927 4.192 ( -12.065 0.303 -0.497) 12.079 4.360 ( -11.444 -3.563 -6.179) 13.485 4.466 ( -5.151 19.884 -9.756) 22.740 4.831 ( -1.529 -2.238 -1.003) 2.890 4.998 ( 5.544 -6.921 -4.220) 9.820 5.247 ( -4.965 -1.750 5.578) 7.669 5.498 ( -0.902 -10.416 2.042) 10.653 5.649 ( -0.623 -6.328 -1.179) 6.467 5.794 ( -8.559 -6.086 11.410) 15.507 6.135 ( -0.355 -5.036 -0.568) 5.081 6.345 ( -1.055 14.926 0.896) 14.990 6.498 ( -0.955 12.462 2.850) 12.820 6.613 ( 1.819 -5.430 1.267) 5.865 6.660 ( -2.133 -12.723 7.377) 14.860 7.060 ( 0.015 -6.387 5.269) 8.280 7.083 ( 6.924 1.837 -11.797) 13.802 7.260 ( 0.377 3.137 -10.668) 11.126 7.555 ( 2.702 0.575 4.264) 5.081 7.615 ( -4.264 -3.869 -5.672) 8.082 7.770 ( -1.628 7.074 -2.255) 7.601 8.345 ( 0.210 -7.603 0.312) 7.612 8.535 ( 4.396 -3.749 -6.278) 8.531 8.647 ( 4.674 -4.764 -0.013) 6.674 9.025 ( -7.244 3.191 9.098) 12.059 9.226 ( 5.665 -3.748 4.496) 8.146 9.418 ( 1.553 -1.197 9.143) 9.351 9.554 ( -0.944 -1.066 9.226) 9.335 9.700 ( -2.590 -1.368 -4.570) 5.428 9.919 ( 1.539 -4.553 7.154) 8.618 10.096 ( -0.263 -4.438 -6.716) 8.054 10.309 ( 0.551 -6.859 1.572) 7.058 10.617 ( 3.329 3.817 -1.088) 5.180 10.725 ( 8.486 -4.892 -4.992) 10.994 10.938 ( 1.943 -3.213 2.631) 4.585 11.116 ( -0.233 -2.692 -4.829) 5.534 11.267 ( -5.707 -4.088 2.357) 7.405 11.667 ( -2.549 -11.339 -7.990) 14.103 12.267 ( -5.579 0.161 3.198) 6.433 12.385 ( 2.848 -1.393 -7.349) 8.004 13.007 ( 6.369 11.104 2.887) 13.123 13.362 ( -1.526 10.973 -0.036) 11.079 13.461 ( 2.757 -3.441 2.542) 5.089 13.810 ( 3.697 -2.945 -6.804) 8.285 14.761 ( 0.212 4.282 4.030) 5.884 14.919 ( 1.028 -1.436 7.808) 8.005 15.304 ( -6.178 2.334 0.879) 6.662 15.430 ( -4.556 -2.219 -0.366) 5.081 15.630 ( 3.558 5.405 0.105) 6.472 15.817 ( 4.590 0.337 -1.828) 4.952 16.249 ( 1.418 -0.367 0.915) 1.727 16.376 ( -0.339 -1.272 -3.931) 4.146 17.339 ( 0.580 0.438 0.379) 0.820 17.412 ( -0.393 -2.310 0.055) 2.344 17.918 ( -0.068 -3.336 -0.581) 3.387 17.938 ( 0.176 -2.164 -0.966) 2.377 18.596 ( -0.163 1.500 1.779) 2.333 18.821 ( 0.592 -4.165 -0.955) 4.314 19.058 ( 1.401 0.957 0.502) 1.770 19.240 ( 6.177 -2.015 -4.071) 7.668 26.337 ( -2.257 2.210 -1.212) 3.383 26.517 ( 1.902 -2.975 1.860) 3.991 26.665 ( -4.994 2.009 -0.579) 5.414 26.819 ( -3.592 -2.375 -0.110) 4.308 28.769 ( -2.127 3.396 -1.249) 4.197 28.829 ( -0.815 5.896 0.521) 5.975 28.912 ( -4.093 -0.615 3.828) 5.638 29.206 ( -4.983 -6.388 -1.719) 8.282 31.466 ( 1.668 2.413 -0.911) 3.072 31.546 ( 1.572 1.240 2.272) 3.029 31.775 ( -4.409 4.221 4.696) 7.701 32.026 ( -2.730 0.893 0.537) 2.922 32.519 ( -1.965 8.822 -2.181) 9.297 32.897 ( 2.080 -4.138 -15.910) 16.571 33.484 ( 7.462 9.081 11.326) 16.322 34.002 ( 8.044 -6.502 -0.107) 10.343 ======================= Grid point 139 (71/126) ======================= q-point: ( 0.00 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( -1.121 25.079 1.568) 25.153 3.623 ( -1.938 6.857 -2.016) 7.406 3.936 ( -0.184 -5.339 -1.738) 5.618 4.053 ( -0.151 -13.786 -4.049) 14.369 4.327 ( -1.538 24.726 2.484) 24.898 4.646 ( -3.876 -7.706 -6.663) 10.900 4.872 ( 3.030 12.551 -11.272) 17.140 5.020 ( 1.564 0.373 -10.820) 10.939 5.107 ( -0.413 -0.885 1.360) 1.675 5.251 ( 4.589 -8.094 -4.654) 10.403 5.522 ( 0.230 -1.700 15.323) 15.418 5.697 ( 1.980 -9.862 3.198) 10.555 6.047 ( -0.085 2.039 6.693) 6.997 6.217 ( -2.012 -14.510 7.861) 16.625 6.440 ( -0.782 -2.766 6.802) 7.384 6.467 ( -0.659 -5.018 6.571) 8.294 6.924 ( -3.220 21.104 0.137) 21.349 7.101 ( 4.003 3.454 -2.519) 5.856 7.166 ( -4.111 -1.206 -9.580) 10.495 7.251 ( 1.181 -5.180 -5.534) 7.672 7.464 ( 1.536 6.104 4.279) 7.611 7.678 ( 4.612 -10.446 3.653) 11.989 8.037 ( 2.520 15.343 0.812) 15.569 8.237 ( 0.894 -5.506 -2.341) 6.050 8.456 ( -4.732 1.525 -10.466) 11.587 8.598 ( -1.988 -11.570 -9.041) 14.817 9.069 ( 0.140 10.881 9.001) 14.122 9.228 ( 0.290 -4.207 4.836) 6.416 9.392 ( -5.013 2.117 7.187) 9.015 9.461 ( -3.717 -6.009 7.928) 10.620 9.704 ( 2.457 3.302 4.539) 6.128 9.803 ( 2.679 -6.731 7.195) 10.211 10.144 ( 3.093 0.944 -3.752) 4.953 10.193 ( 1.175 -4.567 -0.249) 4.723 10.692 ( -0.654 3.532 -3.019) 4.693 10.765 ( 1.770 -3.785 -5.346) 6.785 10.898 ( -2.616 -0.460 0.740) 2.758 10.950 ( -4.351 -5.592 2.790) 7.615 11.284 ( 2.974 8.087 -6.525) 10.808 11.458 ( 1.878 -9.373 -7.444) 12.116 12.239 ( -1.262 4.753 -0.735) 4.973 12.347 ( 1.012 -6.074 -3.847) 7.261 13.280 ( 0.915 8.349 3.715) 9.184 13.418 ( 1.079 -5.832 3.580) 6.928 13.547 ( -0.503 10.796 -2.945) 11.202 13.736 ( 0.175 -8.802 -5.114) 10.181 14.846 ( 0.914 2.736 7.556) 8.088 14.890 ( -0.096 -1.823 9.112) 9.293 15.248 ( -2.775 2.105 -1.563) 3.818 15.290 ( -3.137 -2.300 -0.560) 3.930 15.791 ( 1.252 4.616 -3.109) 5.704 15.862 ( 0.960 -2.667 -3.417) 4.439 16.289 ( 0.144 3.343 0.879) 3.460 16.352 ( 0.842 -2.822 -0.330) 2.964 17.360 ( 0.290 0.601 -0.374) 0.765 17.375 ( 0.095 -1.048 -0.419) 1.132 17.889 ( 0.326 -0.161 0.083) 0.373 17.907 ( 0.398 -1.745 -0.221) 1.803 18.631 ( -0.267 2.935 1.819) 3.463 18.709 ( -0.697 -5.053 0.405) 5.117 19.147 ( 0.091 4.419 -1.572) 4.691 19.234 ( -0.119 -4.395 -3.513) 5.628 26.380 ( 0.559 2.671 0.184) 2.735 26.432 ( -1.619 -2.693 -1.268) 3.388 26.690 ( 1.043 2.208 1.215) 2.727 26.733 ( -0.076 -2.184 -0.024) 2.185 28.813 ( 0.779 2.424 1.012) 2.740 28.849 ( -0.208 -1.084 2.130) 2.399 28.923 ( -0.012 5.339 -0.349) 5.351 29.033 ( -0.213 -5.979 -1.367) 6.138 31.539 ( 0.708 2.813 2.013) 3.530 31.582 ( 1.362 -1.356 2.606) 3.238 31.811 ( -1.870 6.313 0.755) 6.627 31.927 ( -1.553 -5.443 -0.276) 5.666 32.676 ( 0.716 8.487 -4.836) 9.795 32.818 ( 1.159 -6.423 -9.165) 11.251 33.755 ( 0.095 9.278 6.650) 11.415 33.925 ( -0.947 -8.270 1.466) 8.452 ======================= Grid point 140 (72/126) ======================= q-point: ( 0.12 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 10.626 25.975 0.217) 28.065 3.752 ( 12.516 8.433 -3.017) 15.390 4.019 ( 7.342 -6.603 -1.791) 10.036 4.120 ( 6.058 -13.730 -3.484) 15.406 4.387 ( 7.191 17.267 0.636) 18.716 4.620 ( 3.028 -7.914 -7.689) 11.442 4.970 ( 5.231 12.065 -10.667) 16.933 5.047 ( 1.587 3.531 -5.394) 6.640 5.208 ( 8.985 6.427 -0.761) 11.073 5.397 ( 8.722 -5.595 -0.543) 10.377 5.520 ( -0.296 -4.439 15.029) 15.673 5.733 ( 1.307 -13.386 1.828) 13.573 6.071 ( 2.211 0.533 5.136) 5.617 6.189 ( -0.222 -10.518 3.336) 11.036 6.440 ( 0.298 -2.445 7.497) 7.891 6.467 ( 0.912 -4.552 6.212) 7.755 6.852 ( -3.324 19.123 -2.541) 19.575 7.063 ( -4.025 -0.269 -7.126) 8.188 7.162 ( -0.583 -1.355 2.753) 3.123 7.232 ( -2.780 -5.933 -3.653) 7.501 7.579 ( 8.102 7.387 1.760) 11.104 7.776 ( 4.613 -8.516 3.663) 10.354 8.005 ( -4.811 13.072 2.830) 14.214 8.232 ( -1.437 -7.935 -1.954) 8.297 8.328 ( -5.885 5.443 -11.646) 14.138 8.492 ( -5.463 -9.939 -4.570) 12.228 9.103 ( 1.147 7.268 4.711) 8.736 9.216 ( -1.584 -3.052 0.492) 3.474 9.276 ( -5.603 1.925 6.073) 8.484 9.369 ( -4.342 -8.854 5.979) 11.532 9.764 ( 2.546 4.791 8.826) 10.360 9.878 ( 4.065 -6.643 8.070) 11.215 10.177 ( -0.215 0.730 -2.168) 2.298 10.204 ( -0.534 -2.813 -1.172) 3.093 10.673 ( -0.538 4.984 -2.187) 5.470 10.779 ( 0.047 -5.144 -1.848) 5.466 10.836 ( -2.166 1.603 -4.466) 5.216 10.900 ( -0.533 -5.259 -2.950) 6.054 11.344 ( 1.119 5.871 -2.921) 6.652 11.481 ( 0.010 -7.814 -4.800) 9.170 12.250 ( 2.262 5.956 -2.118) 6.714 12.387 ( 2.481 -7.664 -2.888) 8.558 13.237 ( -4.237 9.634 3.834) 11.201 13.398 ( -3.049 -6.913 3.894) 8.500 13.544 ( -0.234 9.591 -2.429) 9.896 13.719 ( -1.864 -8.796 -4.814) 10.199 14.864 ( 0.564 1.683 7.449) 7.658 14.884 ( -0.415 -0.252 7.761) 7.777 15.241 ( 2.205 1.580 -3.038) 4.073 15.276 ( 2.207 -2.116 -2.267) 3.806 15.777 ( -2.401 3.754 -1.746) 4.786 15.831 ( -3.597 -1.821 -1.726) 4.385 16.286 ( -0.502 4.335 0.856) 4.447 16.364 ( 0.181 -3.542 -0.399) 3.569 17.365 ( 0.172 0.478 -0.143) 0.528 17.380 ( 0.262 -1.010 -0.209) 1.064 17.897 ( 0.560 -0.065 0.081) 0.570 17.917 ( 0.664 -1.831 -0.184) 1.956 18.633 ( 0.368 2.593 1.438) 2.987 18.701 ( -0.175 -4.243 -0.261) 4.255 19.109 ( -3.439 3.610 -1.319) 5.157 19.179 ( -4.536 -3.349 -2.785) 6.289 26.397 ( 0.003 0.991 -0.594) 1.155 26.413 ( 1.155 -0.783 -0.016) 1.396 26.736 ( 2.856 1.623 0.532) 3.328 26.775 ( 3.565 -2.339 0.199) 4.268 28.847 ( 1.877 2.505 0.783) 3.226 28.884 ( 3.305 -1.355 2.819) 4.551 28.951 ( 2.757 5.900 -0.678) 6.547 29.074 ( 3.896 -6.784 -1.276) 7.927 31.535 ( -1.046 3.804 2.938) 4.919 31.592 ( -0.453 -1.559 2.753) 3.196 31.810 ( 1.595 5.802 -0.407) 6.031 31.923 ( 1.100 -5.631 -1.679) 5.978 32.708 ( 2.622 8.430 -4.452) 9.887 32.846 ( 1.792 -5.780 -8.037) 10.061 33.683 ( -6.918 7.619 6.851) 12.363 33.821 ( -8.680 -6.246 0.996) 10.740 ======================= Grid point 141 (73/126) ======================= q-point: ( 0.25 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 7.410 24.673 -1.274) 25.793 4.082 ( 17.537 11.427 -3.892) 21.290 4.169 ( 5.879 -10.123 -5.502) 12.935 4.329 ( 11.392 -14.195 -0.814) 18.219 4.602 ( 13.278 13.878 1.569) 19.271 4.788 ( 11.674 -5.994 -6.827) 14.792 5.026 ( 1.328 7.422 -5.273) 9.201 5.150 ( 7.285 4.510 -6.848) 10.969 5.378 ( 4.356 11.569 4.623) 13.198 5.504 ( 3.095 4.374 8.571) 10.108 5.629 ( 8.487 -8.696 0.817) 12.179 5.774 ( 3.315 -11.583 -1.798) 12.181 6.142 ( 4.268 -0.658 5.061) 6.653 6.226 ( 3.454 -8.645 2.941) 9.763 6.418 ( -3.450 -0.392 5.236) 6.282 6.500 ( 1.485 -7.765 1.158) 7.990 6.772 ( -4.393 15.027 -4.955) 16.422 6.971 ( -4.760 -5.713 -6.198) 9.680 7.094 ( -4.084 1.905 4.477) 6.352 7.162 ( -3.332 -5.914 4.589) 8.194 7.736 ( 3.332 6.488 -2.254) 7.634 7.856 ( 2.932 -0.401 5.963) 6.657 7.947 ( 1.849 1.734 2.049) 3.260 8.084 ( -8.525 -5.844 -1.969) 10.522 8.333 ( 3.792 0.980 -3.434) 5.209 8.412 ( -1.475 -5.633 -3.548) 6.819 9.086 ( -2.436 3.527 1.841) 4.665 9.146 ( -4.568 -1.832 1.113) 5.045 9.199 ( -1.051 1.163 3.586) 3.913 9.294 ( -2.826 -8.382 4.109) 9.753 9.829 ( 3.777 7.129 8.861) 11.983 9.963 ( 3.354 -6.367 7.088) 10.101 10.141 ( -2.965 0.318 -1.221) 3.222 10.174 ( -1.407 -3.375 -1.639) 4.007 10.667 ( -0.388 8.436 -2.123) 8.707 10.747 ( -3.073 0.502 0.163) 3.118 10.810 ( -1.126 0.749 -5.032) 5.210 10.928 ( 2.543 -9.852 -4.720) 11.216 11.301 ( -4.124 6.860 -3.254) 8.641 11.457 ( -2.039 -9.175 -5.457) 10.868 12.312 ( 2.840 4.610 -2.879) 6.132 12.420 ( -0.174 -6.047 -0.860) 6.110 13.146 ( -3.559 9.351 3.783) 10.697 13.308 ( -4.903 -7.140 3.404) 9.306 13.516 ( -2.379 7.761 -1.370) 8.232 13.657 ( -3.630 -6.872 -3.727) 8.619 14.884 ( 1.072 0.996 3.932) 4.195 14.890 ( 1.715 0.505 4.752) 5.077 15.329 ( 5.130 1.622 -2.690) 6.015 15.362 ( 4.682 -1.837 -2.194) 5.487 15.700 ( -4.360 2.583 0.862) 5.141 15.737 ( -3.873 -1.315 0.445) 4.115 16.266 ( -1.341 5.106 0.253) 5.285 16.358 ( -0.728 -4.202 -1.230) 4.439 17.367 ( 0.019 0.601 0.295) 0.670 17.384 ( 0.110 -1.069 0.053) 1.076 17.915 ( 1.094 -0.017 -0.199) 1.112 17.935 ( 0.955 -1.846 -0.271) 2.096 18.646 ( 0.732 2.412 0.543) 2.579 18.697 ( -0.237 -2.407 -0.706) 2.519 19.017 ( -4.807 2.159 -0.808) 5.331 19.067 ( -5.484 -2.530 -1.171) 6.152 26.410 ( 1.507 2.157 -0.437) 2.668 26.450 ( 1.838 -2.116 0.650) 2.877 26.805 ( 3.293 1.753 -0.020) 3.730 26.851 ( 3.109 -2.983 0.058) 4.309 28.891 ( 2.092 3.850 0.670) 4.433 28.947 ( 2.163 -1.418 2.343) 3.490 29.048 ( 5.909 4.940 -0.161) 7.704 29.179 ( 5.433 -7.804 -0.947) 9.557 31.502 ( -1.956 4.106 3.521) 5.752 31.569 ( -1.694 -2.308 3.540) 4.553 31.867 ( 3.605 5.985 -2.737) 7.503 31.974 ( 3.883 -4.622 -4.368) 7.451 32.790 ( 5.131 6.637 -2.730) 8.822 32.897 ( 3.254 -4.114 -5.721) 7.762 33.480 ( -11.901 6.221 6.409) 14.880 33.582 ( -13.176 -3.666 0.702) 13.695 ======================= Grid point 142 (74/126) ======================= q-point: ( 0.38 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 5.207 21.317 -2.146) 22.049 4.288 ( 5.830 -12.454 -7.652) 15.736 4.418 ( 12.271 6.746 -3.277) 14.381 4.464 ( 2.466 2.744 3.893) 5.364 4.924 ( 13.872 3.342 1.078) 14.310 5.016 ( 6.916 0.578 -2.981) 7.554 5.056 ( 1.063 4.862 -4.106) 6.452 5.280 ( 4.682 -7.342 -8.680) 12.295 5.465 ( 5.269 13.268 4.762) 15.049 5.559 ( 3.150 11.504 3.818) 12.523 5.764 ( 2.564 -4.843 1.868) 5.789 5.867 ( 4.658 -9.085 -6.116) 11.901 6.208 ( -0.036 0.880 7.445) 7.497 6.250 ( -6.640 -3.893 7.406) 10.681 6.358 ( 5.212 -0.821 -7.810) 9.425 6.495 ( -3.345 -9.357 -1.799) 10.099 6.695 ( -1.236 9.324 -3.084) 9.898 6.863 ( -4.259 -7.215 -3.367) 9.029 7.055 ( 0.321 1.493 7.036) 7.200 7.121 ( -0.742 -4.430 6.240) 7.688 7.656 ( -6.998 4.809 3.386) 9.142 7.838 ( -7.540 -13.415 0.528) 15.398 8.021 ( 5.092 4.099 0.360) 6.546 8.071 ( 5.076 -1.212 1.433) 5.412 8.386 ( 1.212 0.868 -2.336) 2.771 8.455 ( 4.593 -4.486 -0.794) 6.470 9.036 ( -2.187 2.401 2.596) 4.158 9.088 ( -0.791 -2.511 0.839) 2.763 9.221 ( 3.193 -0.042 3.101) 4.451 9.264 ( 0.561 -4.832 4.931) 6.927 9.911 ( 2.728 5.660 4.945) 7.995 9.988 ( -2.259 -2.787 3.037) 4.700 10.091 ( -0.146 1.520 2.537) 2.961 10.170 ( 1.052 -5.912 1.458) 6.179 10.621 ( -4.997 6.500 0.438) 8.211 10.651 ( -5.582 1.585 -0.124) 5.804 10.780 ( -0.559 5.266 -5.054) 7.320 10.960 ( 0.224 -10.191 -4.979) 11.345 11.249 ( 0.829 6.633 -8.552) 10.855 11.410 ( -1.582 -9.459 -8.318) 12.695 12.339 ( -0.429 0.122 -1.161) 1.244 12.361 ( -4.812 -1.756 1.700) 5.397 13.108 ( -0.338 6.559 3.551) 7.467 13.219 ( -3.148 -4.728 2.167) 6.079 13.460 ( -2.317 6.998 -0.582) 7.394 13.585 ( -2.533 -5.836 -2.969) 7.021 14.930 ( 3.316 2.081 1.888) 4.346 14.953 ( 3.616 -0.200 1.586) 3.954 15.370 ( -2.554 1.853 -0.862) 3.271 15.387 ( -3.017 0.097 -1.004) 3.181 15.668 ( 2.473 1.962 2.633) 4.111 15.723 ( 2.494 -3.717 1.655) 4.772 16.237 ( -1.171 5.857 -1.196) 6.092 16.340 ( -0.660 -4.678 -2.920) 5.554 17.365 ( -0.302 0.833 0.910) 1.270 17.383 ( -0.188 -0.994 0.312) 1.058 17.938 ( 0.889 -0.286 -0.568) 1.092 17.951 ( 0.372 -1.451 -0.509) 1.582 18.664 ( 1.010 2.363 -0.084) 2.571 18.696 ( 0.281 -0.158 0.115) 0.342 18.926 ( -3.345 0.305 -0.545) 3.403 18.963 ( -4.093 -2.622 -0.302) 4.870 26.451 ( 1.985 2.080 0.211) 2.882 26.484 ( 1.187 -1.404 0.628) 1.943 26.863 ( 2.114 0.586 -0.244) 2.208 26.896 ( 1.128 -2.780 -0.150) 3.003 28.930 ( 1.462 4.355 0.867) 4.675 28.979 ( 0.811 0.020 1.539) 1.739 29.163 ( 4.309 2.730 0.623) 5.139 29.277 ( 3.488 -7.906 -1.012) 8.701 31.460 ( -1.956 4.013 3.518) 5.684 31.528 ( -2.058 -2.831 4.430) 5.646 31.954 ( 4.508 7.480 -5.762) 10.463 32.083 ( 6.250 -5.039 -7.637) 11.080 32.913 ( 5.757 4.227 1.021) 7.215 32.980 ( 4.355 -2.626 -0.688) 5.132 33.213 ( -12.237 6.243 4.050) 14.321 33.297 ( -12.778 -1.877 -0.550) 12.927 ======================= Grid point 143 (75/126) ======================= q-point: (-0.50 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.025 ( 3.564 22.447 -0.074) 22.729 4.385 ( 2.705 -9.024 -6.744) 11.586 4.490 ( 0.811 5.045 0.794) 5.171 4.584 ( 3.221 0.675 -4.328) 5.437 4.949 ( -7.036 7.853 -1.019) 10.593 5.080 ( -2.045 -4.615 11.457) 12.519 5.129 ( 2.367 4.180 -0.651) 4.848 5.292 ( -2.727 -13.251 -12.368) 18.330 5.592 ( -4.261 20.325 -1.821) 20.847 5.600 ( 3.029 10.353 -4.225) 11.584 5.756 ( 2.405 -0.272 -3.608) 4.345 5.970 ( 0.982 -10.589 1.251) 10.707 6.052 ( -4.493 2.428 4.333) 6.697 6.205 ( -2.088 -11.137 1.320) 11.408 6.448 ( 2.391 -0.902 -2.778) 3.775 6.470 ( 1.289 -2.138 -1.716) 3.030 6.699 ( 2.261 7.576 -1.179) 7.993 6.833 ( 0.811 -5.927 0.344) 5.992 7.080 ( 1.212 -0.055 7.133) 7.236 7.117 ( 0.365 -2.224 7.141) 7.488 7.534 ( -3.534 -0.235 3.069) 4.687 7.685 ( -5.588 -13.505 -1.090) 14.656 8.083 ( 0.728 0.510 0.249) 0.923 8.112 ( -2.411 -1.380 -0.549) 2.832 8.449 ( 5.055 4.931 -0.218) 7.065 8.555 ( 4.251 -5.230 0.489) 6.757 8.980 ( -3.338 1.801 2.091) 4.331 9.043 ( -4.232 -3.972 0.496) 5.825 9.321 ( 4.971 0.665 5.091) 7.147 9.352 ( 7.137 -2.574 9.384) 12.067 9.909 ( -3.095 1.916 -2.880) 4.642 9.935 ( 0.342 -0.704 -0.707) 1.055 10.093 ( -2.889 2.335 9.003) 9.739 10.165 ( -2.491 -4.812 7.272) 9.069 10.513 ( -3.529 2.354 -4.059) 5.871 10.537 ( -3.541 0.401 -3.265) 4.833 10.831 ( 5.387 7.709 -3.987) 10.215 10.960 ( 0.684 -4.727 -5.225) 7.079 11.322 ( 4.982 1.816 -8.547) 10.058 11.402 ( 1.061 -6.265 -9.446) 11.385 12.259 ( -3.355 1.559 1.985) 4.199 12.323 ( -0.718 -5.223 0.854) 5.341 13.098 ( -1.261 5.680 2.962) 6.529 13.185 ( -0.149 -3.165 1.105) 3.355 13.439 ( 0.604 6.964 -0.028) 6.990 13.562 ( 0.522 -5.538 -2.409) 6.062 14.990 ( -0.113 1.815 0.752) 1.968 15.002 ( 0.419 0.665 0.422) 0.892 15.302 ( -0.858 2.184 0.649) 2.435 15.323 ( -0.584 0.063 0.246) 0.636 15.721 ( 0.697 1.426 2.949) 3.349 15.779 ( 1.312 -4.485 2.387) 5.248 16.226 ( 0.252 6.401 -2.144) 6.755 16.335 ( 0.251 -4.727 -4.183) 6.317 17.355 ( -0.577 1.111 1.155) 1.703 17.378 ( -0.210 -1.217 0.452) 1.315 17.944 ( -0.528 -0.626 -0.832) 1.168 17.947 ( -0.554 -0.939 -0.860) 1.388 18.691 ( 1.414 2.529 0.507) 2.942 18.706 ( 0.413 1.361 0.835) 1.649 18.889 ( 0.112 -1.542 -0.562) 1.645 18.906 ( -0.851 -2.642 -0.653) 2.851 26.481 ( 0.684 1.303 0.687) 1.624 26.494 ( -0.285 -0.133 0.509) 0.598 26.890 ( 0.101 -0.690 -0.209) 0.728 26.901 ( -0.374 -2.044 -0.412) 2.118 28.949 ( 0.228 3.927 1.065) 4.075 28.980 ( -0.731 1.034 1.116) 1.688 29.211 ( -0.022 2.042 0.851) 2.213 29.316 ( 0.109 -7.754 -1.112) 7.834 31.428 ( -0.922 3.602 2.659) 4.571 31.491 ( -1.406 -2.730 4.244) 5.238 32.037 ( 2.967 9.413 -6.680) 11.917 32.210 ( 4.964 -7.627 -8.991) 12.793 32.893 ( -9.169 5.252 5.326) 11.833 32.957 ( -7.610 -1.992 5.031) 9.338 33.131 ( 4.356 5.204 -1.633) 6.980 33.193 ( 7.151 -1.216 -1.561) 7.420 ======================= Grid point 144 (76/126) ======================= q-point: (-0.38 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -0.598 24.403 1.831) 24.479 4.367 ( -5.323 0.630 -5.012) 7.339 4.411 ( -9.672 10.349 2.320) 14.354 4.615 ( 1.596 -3.790 -8.443) 9.391 4.812 ( -8.487 -2.696 -3.088) 9.425 4.939 ( -6.178 -12.868 3.090) 14.605 5.088 ( -2.965 3.489 2.037) 5.012 5.164 ( -12.012 -3.715 -5.960) 13.914 5.396 ( -13.234 15.798 -0.237) 20.610 5.512 ( -7.279 1.831 -3.098) 8.120 5.810 ( -3.479 3.516 -1.723) 5.238 5.887 ( 1.552 -1.533 0.558) 2.252 6.103 ( 1.608 -5.758 3.880) 7.127 6.229 ( 1.692 -14.855 -7.604) 16.774 6.398 ( -3.509 9.308 3.531) 10.556 6.519 ( 1.601 -4.781 5.471) 7.440 6.806 ( 5.330 2.973 -3.293) 6.935 6.851 ( 1.122 -0.827 -0.003) 1.394 7.116 ( 3.765 1.436 4.589) 6.107 7.163 ( 3.622 -1.901 10.192) 10.982 7.518 ( 1.140 -1.176 -0.368) 1.679 7.629 ( 0.349 -8.568 -7.732) 11.546 8.001 ( -6.761 3.008 1.055) 7.475 8.074 ( -1.766 -5.550 2.338) 6.276 8.501 ( -1.694 4.884 0.732) 5.221 8.595 ( -1.395 -4.674 2.955) 5.703 8.944 ( 1.490 0.608 -0.433) 1.667 8.991 ( 2.281 -3.997 -2.354) 5.169 9.410 ( 2.764 4.196 10.620) 11.749 9.491 ( 4.698 -4.228 11.924) 13.496 9.847 ( -4.244 5.540 -0.702) 7.014 9.941 ( -1.958 -2.876 -0.693) 3.548 10.040 ( 2.342 -0.266 -1.404) 2.744 10.093 ( -2.431 -5.684 7.116) 9.426 10.467 ( -0.742 2.962 -6.603) 7.274 10.512 ( 0.436 -1.469 -5.076) 5.302 10.940 ( 3.156 4.375 1.001) 5.487 11.003 ( 3.259 -1.675 -4.871) 6.095 11.381 ( 0.191 1.694 -3.975) 4.325 11.466 ( 4.039 -5.944 -8.301) 10.980 12.247 ( 2.072 2.286 -1.463) 3.415 12.327 ( 0.980 -6.279 0.405) 6.367 13.073 ( -0.407 7.784 2.426) 8.164 13.201 ( 1.718 -5.460 1.678) 5.965 13.480 ( 2.911 7.368 -0.162) 7.924 13.601 ( 2.840 -4.990 -2.286) 6.180 14.916 ( -4.594 3.075 1.527) 5.735 14.958 ( -3.962 -1.217 1.663) 4.466 15.366 ( 5.784 2.647 -0.773) 6.408 15.396 ( 5.695 -0.407 -0.699) 5.752 15.686 ( -3.435 2.656 3.087) 5.327 15.756 ( -3.203 -4.734 2.153) 6.108 16.240 ( 0.879 5.629 -0.875) 5.764 16.339 ( 0.021 -4.423 -3.325) 5.533 17.347 ( -0.100 1.420 0.574) 1.535 17.377 ( 0.124 -1.615 0.203) 1.632 17.920 ( -1.338 -0.412 -0.926) 1.678 17.929 ( -1.183 -1.220 -0.926) 1.935 18.692 ( -0.903 3.036 0.673) 3.238 18.730 ( 1.312 -0.058 0.738) 1.506 18.921 ( 3.009 -0.938 -0.582) 3.205 18.945 ( 4.167 -2.392 -0.851) 4.880 26.470 ( -1.673 0.991 0.472) 2.000 26.481 ( -0.805 -0.130 0.737) 1.099 26.860 ( -2.460 0.289 -0.320) 2.497 26.888 ( -1.318 -2.567 -0.341) 2.906 28.937 ( -1.487 2.727 0.619) 3.167 28.951 ( -1.742 1.778 1.360) 2.836 29.165 ( -4.084 3.020 0.548) 5.108 29.281 ( -3.351 -7.982 -0.828) 8.697 31.426 ( 0.730 2.829 1.400) 3.240 31.476 ( 0.055 -2.256 3.311) 4.007 32.057 ( -1.276 9.731 -3.892) 10.558 32.238 ( -2.864 -8.314 -3.845) 9.598 32.747 ( -3.629 4.531 -2.058) 6.159 32.799 ( -5.292 -1.103 -1.221) 5.542 33.288 ( 9.238 8.024 2.938) 12.584 33.408 ( 11.697 -4.308 2.005) 12.625 ======================= Grid point 145 (77/126) ======================= q-point: (-0.25 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( -12.429 29.150 2.040) 31.754 4.158 ( -11.590 9.592 -1.960) 15.172 4.200 ( -10.096 0.886 -3.236) 10.639 4.445 ( -15.783 -19.113 0.104) 24.788 4.689 ( -8.742 6.207 0.364) 10.728 4.818 ( -5.826 4.954 2.344) 7.999 4.916 ( -3.908 1.270 -17.701) 18.172 5.059 ( -3.091 1.496 -11.078) 11.598 5.141 ( -5.298 5.328 4.796) 8.914 5.367 ( -6.446 -10.572 4.194) 13.073 5.679 ( -8.360 3.543 3.525) 9.740 5.838 ( -7.495 -7.486 3.677) 11.213 6.108 ( -1.283 -0.877 4.890) 5.131 6.217 ( 1.028 -7.974 -5.150) 9.548 6.423 ( 2.857 0.445 1.984) 3.507 6.509 ( -1.609 -7.231 7.649) 10.648 6.866 ( 2.231 3.825 1.212) 4.591 6.911 ( 3.883 -1.401 -4.598) 6.179 7.218 ( 1.742 6.432 9.979) 12.000 7.283 ( 8.321 4.009 0.127) 9.237 7.515 ( -2.412 2.507 -1.891) 3.960 7.636 ( -2.439 -4.896 -10.465) 11.808 7.888 ( -1.490 5.321 1.680) 5.776 8.053 ( 2.032 -11.487 3.176) 12.090 8.471 ( 0.515 2.917 -1.467) 3.306 8.538 ( -1.612 -4.286 -1.996) 4.995 9.055 ( 7.106 1.380 1.574) 7.408 9.091 ( 4.717 -2.501 -1.426) 5.527 9.439 ( 0.154 5.883 13.494) 14.721 9.537 ( -0.371 -3.745 12.922) 13.459 9.757 ( -3.276 3.318 2.345) 5.219 9.858 ( -4.511 -5.672 2.411) 7.638 10.077 ( -0.051 -0.237 -2.263) 2.276 10.132 ( 3.109 -4.903 -0.294) 5.813 10.514 ( 5.941 2.215 -8.637) 10.714 10.557 ( 4.359 -1.929 -6.982) 8.454 10.966 ( -0.306 4.658 2.904) 5.498 11.054 ( 1.142 -3.350 -2.176) 4.155 11.347 ( -3.116 3.676 -2.497) 5.427 11.495 ( -1.426 -10.262 -5.463) 11.713 12.308 ( 2.552 0.821 -4.128) 4.922 12.337 ( -0.657 -2.411 -0.847) 2.638 13.104 ( 3.459 9.522 2.601) 10.459 13.266 ( 4.229 -7.223 2.125) 8.635 13.540 ( 2.229 7.940 -0.780) 8.284 13.667 ( 3.080 -5.088 -2.932) 6.632 14.843 ( -2.004 2.960 2.936) 4.626 14.889 ( -1.908 -1.827 3.743) 4.581 15.451 ( -1.122 1.617 1.501) 2.475 15.473 ( -0.476 -0.702 -0.691) 1.094 15.641 ( 1.625 3.701 0.255) 4.051 15.706 ( 1.092 -3.103 -0.571) 3.339 16.260 ( 1.001 3.914 0.354) 4.056 16.336 ( -0.173 -3.680 -2.026) 4.204 17.349 ( 0.210 1.442 -0.049) 1.458 17.380 ( 0.000 -1.714 -0.049) 1.715 17.895 ( -0.909 -0.442 -0.555) 1.153 17.906 ( -0.727 -1.392 -0.910) 1.815 18.669 ( -1.231 3.787 0.928) 4.089 18.743 ( -0.131 -3.443 0.509) 3.483 19.011 ( 4.951 1.612 -0.843) 5.275 19.059 ( 6.177 -2.610 -1.599) 6.894 26.427 ( -2.137 1.795 -0.202) 2.798 26.462 ( -0.809 -1.610 1.037) 2.079 26.793 ( -3.706 1.774 -0.274) 4.118 26.840 ( -3.141 -2.939 -0.176) 4.305 28.886 ( -2.929 2.579 0.052) 3.903 28.915 ( -1.848 0.509 2.032) 2.794 29.057 ( -5.527 4.613 0.060) 7.199 29.184 ( -5.293 -7.686 -0.680) 9.357 31.458 ( 2.114 2.053 0.585) 3.004 31.495 ( 1.614 -1.710 2.522) 3.448 31.989 ( -4.633 7.734 -0.103) 9.016 32.119 ( -6.831 -4.983 1.024) 8.517 32.694 ( -1.741 4.730 -4.403) 6.693 32.766 ( 1.116 -3.326 -8.341) 9.049 33.498 ( 9.893 9.905 5.079) 14.892 33.659 ( 11.369 -6.852 2.625) 13.531 ======================= Grid point 146 (78/126) ======================= q-point: (-0.12 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -12.954 27.677 1.006) 30.575 3.833 ( -15.861 7.030 -1.174) 17.388 4.029 ( -7.341 -4.374 -1.790) 8.731 4.157 ( -9.832 -16.774 -2.733) 19.634 4.436 ( -9.051 23.282 3.322) 25.199 4.739 ( -4.329 -4.795 -3.676) 7.433 4.878 ( -2.800 12.135 -11.468) 16.930 4.982 ( 1.483 5.742 -15.018) 16.146 5.177 ( 3.207 -8.993 -3.149) 10.053 5.216 ( -7.938 -10.325 4.640) 13.825 5.538 ( -3.429 0.678 9.677) 10.289 5.696 ( -3.444 -7.675 3.646) 9.168 6.068 ( -1.858 2.001 7.982) 8.436 6.244 ( -0.027 -14.190 5.801) 15.330 6.459 ( -0.055 -3.503 3.913) 5.252 6.477 ( -0.949 -4.710 5.298) 7.152 6.933 ( 3.086 9.414 -0.151) 9.908 7.004 ( 4.616 -1.789 -4.085) 6.419 7.207 ( -1.478 14.636 1.175) 14.757 7.315 ( -5.515 2.587 -7.781) 9.882 7.486 ( -1.389 -3.165 4.318) 5.531 7.587 ( 2.372 -5.997 -2.077) 6.775 7.940 ( 5.092 11.739 0.095) 12.797 8.164 ( 5.816 -10.537 -0.223) 12.038 8.509 ( 0.578 0.147 -8.254) 8.276 8.553 ( 3.613 -4.447 -5.280) 7.792 9.112 ( -2.311 5.703 6.003) 8.597 9.188 ( 4.071 -1.499 3.204) 5.393 9.449 ( -0.048 2.774 11.824) 12.145 9.509 ( -1.806 -3.374 12.630) 13.197 9.699 ( -2.052 1.852 -0.290) 2.780 9.787 ( -1.767 -7.104 4.220) 8.450 10.084 ( 1.746 2.224 -3.610) 4.585 10.168 ( 1.045 -6.578 0.911) 6.723 10.661 ( 4.403 0.937 -6.296) 7.740 10.673 ( 6.901 -1.002 -7.864) 10.510 10.940 ( -1.792 3.336 4.205) 5.659 11.042 ( -2.751 -5.982 2.916) 7.201 11.276 ( -2.338 5.840 -5.863) 8.599 11.446 ( -1.433 -10.955 -7.726) 13.481 12.289 ( -2.886 2.070 -0.412) 3.575 12.339 ( 0.307 -2.883 -4.406) 5.275 13.205 ( 5.143 9.328 2.868) 11.031 13.360 ( 4.039 -6.824 2.700) 8.377 13.561 ( -0.211 9.501 -1.833) 9.679 13.718 ( 1.701 -6.657 -4.166) 8.036 14.830 ( 0.326 3.024 5.270) 6.085 14.881 ( 0.518 -2.384 6.576) 7.013 15.348 ( -6.055 2.109 1.454) 6.575 15.387 ( -5.563 -2.106 1.394) 6.109 15.728 ( 4.500 4.480 -2.999) 7.022 15.795 ( 4.973 -2.466 -3.511) 6.568 16.279 ( 0.751 2.867 0.766) 3.061 16.337 ( 0.424 -2.742 -1.054) 2.968 17.354 ( 0.268 1.024 -0.362) 1.119 17.377 ( -0.196 -1.419 -0.269) 1.457 17.885 ( -0.073 -0.272 -0.164) 0.326 17.900 ( 0.131 -1.645 -0.548) 1.739 18.644 ( -0.975 3.596 1.507) 4.019 18.729 ( -1.009 -4.986 0.602) 5.123 19.106 ( 3.598 3.671 -1.379) 5.322 19.182 ( 4.786 -3.818 -2.848) 6.752 26.388 ( -1.309 3.079 -0.370) 3.366 26.452 ( -0.315 -3.511 0.327) 3.540 26.715 ( -3.142 2.893 0.152) 4.274 26.770 ( -2.987 -2.756 0.093) 4.065 28.829 ( -2.091 2.835 0.408) 3.547 28.875 ( -1.852 -1.758 2.432) 3.526 28.957 ( -3.380 6.066 -0.545) 6.965 29.080 ( -3.986 -6.616 -0.945) 7.782 31.506 ( 2.150 1.958 0.912) 3.048 31.540 ( 2.319 -1.371 2.317) 3.554 31.884 ( -4.720 6.416 1.376) 8.083 31.993 ( -4.714 -4.209 0.916) 6.386 32.673 ( -0.273 7.124 -4.900) 8.651 32.794 ( 1.399 -5.786 -9.597) 11.293 33.680 ( 6.551 10.229 6.057) 13.574 33.860 ( 6.823 -8.430 2.151) 11.056 ======================= Grid point 187 (79/126) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -7.186 0.000 40.387) 41.021 1.828 ( -10.061 0.000 43.794) 44.935 2.415 ( 6.444 0.000 -35.864) 36.438 2.555 ( -1.659 0.000 6.162) 6.382 2.888 ( 0.045 0.000 16.425) 16.425 3.831 ( 8.346 0.000 -40.246) 41.102 4.504 ( -8.311 0.000 6.162) 10.346 4.631 ( 10.051 0.000 -10.991) 14.894 5.609 ( -8.551 0.000 16.409) 18.503 5.675 ( -0.849 0.000 7.852) 7.897 5.827 ( 7.803 0.000 -3.315) 8.478 5.829 ( -9.657 0.000 -2.015) 9.865 6.121 ( -2.848 0.000 -3.901) 4.830 6.184 ( 18.489 0.000 -5.753) 19.363 6.457 ( -13.981 0.000 -1.984) 14.121 6.466 ( 9.371 0.000 -0.924) 9.416 7.020 ( -10.964 0.000 16.958) 20.194 7.283 ( 6.125 0.000 -9.216) 11.066 7.465 ( -3.227 0.000 -4.725) 5.722 7.509 ( 5.929 0.000 -11.486) 12.926 7.773 ( -10.755 0.000 0.193) 10.757 7.838 ( 16.940 0.000 -4.730) 17.588 8.432 ( 3.550 0.000 2.912) 4.592 8.472 ( -2.905 0.000 -1.133) 3.118 8.622 ( -2.266 0.000 3.973) 4.574 8.660 ( -0.218 0.000 0.795) 0.825 9.129 ( -2.196 0.000 13.161) 13.343 9.158 ( 4.678 0.000 9.069) 10.204 9.591 ( -4.823 0.000 7.620) 9.018 9.877 ( 3.586 0.000 -18.218) 18.567 9.921 ( 1.862 0.000 -1.068) 2.146 9.936 ( -8.459 0.000 -2.592) 8.847 10.311 ( 1.649 0.000 3.049) 3.467 10.399 ( 2.603 0.000 -6.757) 7.241 10.722 ( -4.797 0.000 6.565) 8.131 10.871 ( 4.242 0.000 -8.122) 9.163 11.155 ( -1.554 0.000 2.100) 2.612 11.196 ( 1.633 0.000 -1.983) 2.568 12.072 ( 2.646 0.000 1.552) 3.068 12.080 ( -4.497 0.000 1.173) 4.648 12.424 ( -9.773 0.000 14.184) 17.225 12.612 ( 10.988 0.000 -4.807) 11.993 12.780 ( 8.808 0.000 5.034) 10.145 12.898 ( -6.163 0.000 -6.402) 8.886 13.778 ( 19.277 0.000 3.644) 19.618 13.890 ( -30.340 0.000 -7.349) 31.218 14.229 ( -7.395 0.000 5.657) 9.311 14.356 ( 5.383 0.000 -7.097) 8.908 15.332 ( -1.315 0.000 1.226) 1.798 15.346 ( 7.916 0.000 -0.638) 7.942 15.455 ( -0.574 0.000 4.230) 4.269 15.556 ( -3.087 0.000 -5.725) 6.504 16.512 ( 4.059 0.000 4.332) 5.937 16.582 ( -2.986 0.000 -2.774) 4.075 17.670 ( 0.207 0.000 4.469) 4.474 17.773 ( -3.148 0.000 -5.937) 6.720 18.282 ( -5.666 0.000 5.731) 8.059 18.377 ( 5.175 0.000 -3.880) 6.467 18.616 ( -3.066 0.000 1.061) 3.244 18.635 ( 0.448 0.000 -0.890) 0.997 19.034 ( -2.978 0.000 2.979) 4.212 19.100 ( 5.233 0.000 -3.465) 6.276 26.423 ( 24.825 0.000 0.305) 24.827 26.428 ( -16.374 0.000 -0.220) 16.376 26.774 ( 3.747 0.000 0.058) 3.748 26.776 ( -3.598 0.000 -0.144) 3.601 28.479 ( -1.413 0.000 0.193) 1.427 28.495 ( 3.297 0.000 -1.636) 3.681 28.947 ( 5.032 0.000 7.194) 8.779 29.073 ( -0.476 0.000 -5.475) 5.496 31.160 ( 0.893 0.000 2.266) 2.436 31.210 ( -0.537 0.000 -2.685) 2.739 31.944 ( -5.384 0.000 4.583) 7.070 32.035 ( 6.268 0.000 -4.553) 7.747 32.148 ( 2.124 0.000 1.483) 2.590 32.176 ( -3.943 0.000 -1.245) 4.135 34.011 ( -31.166 0.000 0.400) 31.169 34.019 ( 15.835 0.000 -0.390) 15.840 ======================= Grid point 188 (80/126) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 11.506 0.000 33.312) 35.243 1.806 ( 7.517 0.000 37.677) 38.420 2.521 ( 5.320 0.000 -33.069) 33.494 2.810 ( 23.138 0.000 31.451) 39.045 3.086 ( 13.668 0.000 -18.709) 23.170 4.168 ( 20.339 0.000 -23.132) 30.802 4.434 ( 0.488 0.000 10.526) 10.537 5.017 ( 24.118 0.000 -16.321) 29.121 5.318 ( -17.413 0.000 14.472) 22.642 5.642 ( -0.298 0.000 3.572) 3.585 5.647 ( -5.644 0.000 -4.234) 7.056 5.883 ( -4.256 0.000 3.370) 5.429 6.158 ( -11.385 0.000 -2.362) 11.627 6.176 ( 6.860 0.000 -11.353) 13.265 6.583 ( 14.952 0.000 -2.248) 15.120 6.634 ( 5.734 0.000 4.208) 7.113 6.749 ( -11.476 0.000 13.684) 17.859 7.404 ( 5.151 0.000 -3.068) 5.995 7.446 ( 1.770 0.000 -6.609) 6.842 7.554 ( -0.875 0.000 -11.052) 11.087 7.671 ( 1.714 0.000 -6.194) 6.427 8.265 ( 19.932 0.000 -10.341) 22.455 8.448 ( -0.228 0.000 -0.922) 0.950 8.524 ( 1.593 0.000 2.780) 3.204 8.572 ( -1.527 0.000 4.382) 4.640 8.678 ( 3.903 0.000 -0.137) 3.906 9.099 ( 0.173 0.000 11.836) 11.837 9.281 ( 6.460 0.000 5.823) 8.697 9.490 ( -5.003 0.000 5.960) 7.781 9.742 ( -9.046 0.000 3.229) 9.606 9.908 ( -1.046 0.000 -10.202) 10.256 9.936 ( 0.348 0.000 -1.395) 1.438 10.338 ( 0.740 0.000 -0.336) 0.813 10.437 ( 0.075 0.000 -8.060) 8.060 10.619 ( -4.462 0.000 4.806) 6.558 10.938 ( 1.672 0.000 -5.098) 5.365 11.107 ( -2.770 0.000 0.809) 2.886 11.188 ( -1.856 0.000 -0.777) 2.012 11.996 ( -2.636 0.000 2.914) 3.930 12.050 ( -11.787 0.000 5.133) 12.856 12.185 ( -12.682 0.000 8.919) 15.504 12.323 ( -21.475 0.000 10.691) 23.989 12.853 ( -0.152 0.000 6.107) 6.109 12.958 ( 4.649 0.000 -17.454) 18.063 13.424 ( -5.071 0.000 3.569) 6.201 14.017 ( 2.266 0.000 5.378) 5.836 14.222 ( 2.720 0.000 4.192) 4.997 14.595 ( 12.011 0.000 -2.698) 12.311 15.263 ( -4.557 0.000 0.503) 4.585 15.426 ( -4.893 0.000 -6.951) 8.500 15.451 ( 1.682 0.000 6.932) 7.133 15.553 ( 6.822 0.000 -7.592) 10.206 16.506 ( -3.822 0.000 -3.396) 5.112 16.588 ( 2.641 0.000 2.827) 3.868 17.631 ( -9.789 0.000 2.459) 10.093 17.662 ( -0.912 0.000 5.821) 5.892 18.159 ( -2.919 0.000 6.000) 6.672 18.384 ( -4.972 0.000 -6.936) 8.535 18.587 ( 1.797 0.000 4.349) 4.705 18.642 ( 0.295 0.000 -0.349) 0.457 18.992 ( -1.064 0.000 0.770) 1.313 19.173 ( 1.518 0.000 -3.253) 3.590 26.187 ( -5.164 0.000 -1.846) 5.484 26.691 ( -3.769 0.000 -2.744) 4.663 26.870 ( 4.818 0.000 -0.083) 4.819 26.994 ( 20.642 0.000 -9.034) 22.532 28.466 ( 0.156 0.000 -0.199) 0.253 28.551 ( 1.222 0.000 -2.630) 2.900 29.146 ( 6.525 0.000 -5.906) 8.801 29.308 ( 26.150 0.000 -12.783) 29.107 31.190 ( 2.097 0.000 1.978) 2.883 31.195 ( -0.944 0.000 -3.041) 3.184 31.867 ( -1.304 0.000 2.408) 2.739 31.914 ( -17.633 0.000 4.819) 18.280 32.120 ( -4.521 0.000 3.153) 5.512 32.240 ( 9.522 0.000 -5.362) 10.928 33.281 ( -29.066 0.000 24.370) 37.931 34.210 ( 1.392 0.000 5.694) 5.862 ======================= Grid point 189 (81/126) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 19.807 0.000 26.924) 33.424 2.158 ( 34.629 0.000 9.339) 35.866 2.691 ( 12.458 0.000 -29.034) 31.594 3.252 ( 8.785 0.000 34.601) 35.699 3.464 ( 25.949 0.000 -32.790) 41.816 4.475 ( 1.112 0.000 18.051) 18.085 4.489 ( 4.883 0.000 -2.599) 5.532 4.981 ( -11.109 0.000 5.665) 12.470 5.291 ( 0.751 0.000 -4.585) 4.647 5.622 ( -11.444 0.000 11.025) 15.890 5.633 ( 4.541 0.000 -8.216) 9.388 5.933 ( -7.768 0.000 6.704) 10.261 6.007 ( 23.896 0.000 -17.699) 29.737 6.327 ( 6.374 0.000 -15.070) 16.363 6.461 ( -6.474 0.000 4.984) 8.170 6.728 ( 3.602 0.000 9.049) 9.739 6.972 ( 14.377 0.000 -3.600) 14.821 7.451 ( -1.084 0.000 5.866) 5.965 7.539 ( 7.099 0.000 -10.908) 13.015 7.557 ( 2.364 0.000 -9.461) 9.751 7.824 ( 11.771 0.000 -8.649) 14.607 8.388 ( -4.420 0.000 4.975) 6.655 8.432 ( -8.912 0.000 9.901) 13.321 8.550 ( 7.684 0.000 -3.435) 8.417 8.628 ( 5.958 0.000 -3.555) 6.938 8.814 ( 5.134 0.000 -2.173) 5.575 9.225 ( 12.337 0.000 7.334) 14.352 9.349 ( -9.165 0.000 -1.125) 9.234 9.408 ( 4.709 0.000 -1.504) 4.943 9.605 ( -2.516 0.000 5.667) 6.201 9.829 ( -6.324 0.000 2.905) 6.959 9.944 ( 0.559 0.000 -3.565) 3.609 10.338 ( -7.624 0.000 -0.059) 7.624 10.350 ( 0.982 0.000 -3.301) 3.444 10.602 ( 2.403 0.000 -5.473) 5.978 10.879 ( -7.485 0.000 1.348) 7.605 11.031 ( -4.859 0.000 0.006) 4.859 11.187 ( 2.716 0.000 -0.922) 2.868 11.559 ( -23.356 0.000 11.910) 26.217 11.897 ( -13.585 0.000 8.348) 15.945 11.990 ( 1.029 0.000 1.330) 1.682 12.192 ( -1.187 0.000 3.858) 4.036 12.811 ( -3.602 0.000 7.452) 8.277 12.946 ( -3.278 0.000 -13.085) 13.489 13.464 ( 3.860 0.000 2.263) 4.475 13.969 ( -5.828 0.000 2.475) 6.332 14.318 ( 6.244 0.000 1.896) 6.525 14.695 ( 0.008 0.000 -6.508) 6.508 15.134 ( -7.891 0.000 2.468) 8.268 15.269 ( -8.887 0.000 -2.227) 9.162 15.588 ( 9.458 0.000 10.655) 14.247 15.716 ( 7.948 0.000 -15.447) 17.372 16.435 ( -2.494 0.000 -1.751) 3.047 16.619 ( 0.203 0.000 0.798) 0.824 17.445 ( -6.309 0.000 5.288) 8.232 17.627 ( -2.825 0.000 6.402) 6.998 18.149 ( 0.599 0.000 3.716) 3.764 18.270 ( -4.212 0.000 -8.101) 9.130 18.641 ( 2.493 0.000 4.165) 4.854 18.659 ( 1.452 0.000 -1.647) 2.196 18.984 ( 0.294 0.000 -0.215) 0.365 19.175 ( -1.054 0.000 -1.431) 1.777 26.177 ( 2.680 0.000 2.703) 3.806 26.603 ( -4.229 0.000 -3.570) 5.535 26.972 ( 4.767 0.000 0.836) 4.840 27.252 ( 5.914 0.000 -6.894) 9.083 28.478 ( 0.830 0.000 0.616) 1.034 28.564 ( 0.382 0.000 -2.592) 2.620 29.314 ( 8.854 0.000 -3.893) 9.672 29.772 ( 13.812 0.000 -21.666) 25.694 31.168 ( -1.395 0.000 -3.077) 3.379 31.252 ( 3.150 0.000 1.315) 3.413 31.522 ( -14.992 0.000 11.117) 18.664 31.895 ( 3.390 0.000 -0.773) 3.477 31.982 ( -7.714 0.000 4.941) 9.160 32.404 ( 3.229 0.000 -5.866) 6.696 32.945 ( -3.233 0.000 23.394) 23.616 34.105 ( -10.029 0.000 2.562) 10.351 ======================= Grid point 190 (82/126) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 20.791 0.000 12.304) 24.159 2.946 ( 37.082 0.000 -7.075) 37.751 3.046 ( 20.679 0.000 -15.273) 25.708 3.234 ( -8.203 0.000 18.684) 20.405 3.871 ( 2.085 0.000 -10.369) 10.577 4.287 ( -19.571 0.000 2.201) 19.694 4.459 ( 7.006 0.000 -1.875) 7.253 5.017 ( 11.716 0.000 9.014) 14.782 5.092 ( -22.107 0.000 9.449) 24.042 5.481 ( -3.268 0.000 4.003) 5.168 5.792 ( 8.937 0.000 -7.938) 11.953 5.810 ( 2.944 0.000 7.849) 8.383 6.227 ( -4.719 0.000 6.678) 8.177 6.411 ( 1.895 0.000 -16.733) 16.840 6.724 ( 23.327 0.000 -19.880) 30.649 6.787 ( 1.095 0.000 13.264) 13.309 7.208 ( 8.639 0.000 -5.044) 10.004 7.393 ( -4.639 0.000 5.326) 7.063 7.622 ( 3.702 0.000 0.016) 3.702 7.702 ( 7.461 0.000 -13.827) 15.712 8.079 ( 8.521 0.000 -10.433) 13.471 8.183 ( -13.548 0.000 13.868) 19.388 8.373 ( 6.271 0.000 2.837) 6.883 8.671 ( 2.600 0.000 2.856) 3.862 8.768 ( 6.530 0.000 -6.121) 8.950 8.851 ( -1.319 0.000 -2.561) 2.881 9.152 ( -5.706 0.000 -2.598) 6.270 9.425 ( -5.586 0.000 -6.577) 8.628 9.448 ( 4.744 0.000 12.071) 12.970 9.669 ( -5.458 0.000 3.047) 6.251 9.698 ( 11.013 0.000 0.238) 11.015 9.954 ( -0.473 0.000 3.550) 3.581 10.254 ( 1.948 0.000 -0.528) 2.018 10.404 ( 4.462 0.000 -5.471) 7.060 10.679 ( 5.006 0.000 -4.650) 6.832 10.686 ( -9.188 0.000 1.052) 9.248 10.877 ( -10.205 0.000 -0.521) 10.218 11.119 ( -19.009 0.000 8.890) 20.986 11.274 ( 5.013 0.000 1.179) 5.150 11.617 ( -11.968 0.000 4.635) 12.834 12.041 ( 2.969 0.000 2.228) 3.712 12.173 ( -0.799 0.000 0.028) 0.800 12.720 ( -4.625 0.000 9.718) 10.762 12.873 ( -2.659 0.000 -9.961) 10.310 13.530 ( 2.692 0.000 3.329) 4.281 13.814 ( -7.570 0.000 -1.087) 7.648 14.482 ( 8.957 0.000 -0.432) 8.968 14.703 ( 0.733 0.000 -2.957) 3.047 14.960 ( -7.056 0.000 -0.040) 7.057 15.065 ( -9.987 0.000 0.701) 10.011 15.752 ( 4.340 0.000 9.302) 10.265 15.864 ( 5.975 0.000 -14.494) 15.678 16.414 ( 0.833 0.000 1.726) 1.917 16.599 ( -1.989 0.000 -1.247) 2.347 17.391 ( 1.092 0.000 1.777) 2.086 17.541 ( -5.057 0.000 4.834) 6.996 18.155 ( -0.355 0.000 3.196) 3.215 18.218 ( -0.697 0.000 -7.011) 7.046 18.680 ( 0.854 0.000 3.683) 3.781 18.700 ( 2.257 0.000 -2.953) 3.717 19.007 ( 1.888 0.000 0.010) 1.888 19.134 ( -2.679 0.000 -0.414) 2.711 26.255 ( 4.020 0.000 4.932) 6.363 26.518 ( -3.660 0.000 -4.346) 5.682 27.071 ( 4.438 0.000 2.971) 5.341 27.303 ( -0.155 0.000 -5.511) 5.513 28.496 ( 0.781 0.000 1.414) 1.615 28.570 ( 0.172 0.000 -3.416) 3.421 29.496 ( 7.963 0.000 -0.200) 7.965 29.857 ( -3.764 0.000 -9.663) 10.370 31.151 ( 0.315 0.000 -3.609) 3.623 31.209 ( -5.488 0.000 3.971) 6.773 31.463 ( 6.717 0.000 0.107) 6.718 31.783 ( -9.367 0.000 3.679) 10.063 32.030 ( 7.484 0.000 -1.230) 7.584 32.341 ( -6.899 0.000 0.209) 6.902 33.082 ( 12.342 0.000 12.939) 17.881 33.842 ( -13.863 0.000 -2.047) 14.013 ======================= Grid point 191 (83/126) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -17.096 0.000 9.505) 19.561 2.938 ( 10.734 0.000 6.951) 12.788 3.398 ( 3.512 0.000 4.879) 6.012 3.534 ( -21.202 0.000 -7.121) 22.366 3.749 ( 31.861 0.000 -1.576) 31.900 3.935 ( -3.646 0.000 -17.365) 17.744 4.584 ( -21.397 0.000 13.602) 25.354 4.840 ( 19.587 0.000 -9.447) 21.746 5.292 ( 13.039 0.000 4.945) 13.945 5.322 ( -10.442 0.000 4.109) 11.221 5.928 ( 2.562 0.000 -5.150) 5.752 5.946 ( 4.377 0.000 1.355) 4.582 6.086 ( -7.722 0.000 9.570) 12.297 6.423 ( 0.634 0.000 -15.136) 15.149 6.723 ( -9.753 0.000 15.579) 18.380 7.016 ( 4.565 0.000 -9.378) 10.430 7.252 ( -8.602 0.000 9.025) 12.468 7.352 ( 4.424 0.000 -6.545) 7.900 7.664 ( -2.024 0.000 1.279) 2.394 7.846 ( 5.239 0.000 -15.182) 16.061 7.953 ( -5.419 0.000 12.787) 13.888 8.176 ( 5.055 0.000 -6.885) 8.542 8.585 ( 8.711 0.000 -2.612) 9.094 8.636 ( -5.976 0.000 0.354) 5.987 8.724 ( -6.985 0.000 1.548) 7.154 8.876 ( 3.180 0.000 -4.385) 5.416 9.206 ( 5.987 0.000 0.324) 5.996 9.207 ( -9.408 0.000 -3.509) 10.041 9.517 ( 4.239 0.000 5.846) 7.221 9.660 ( 1.906 0.000 -6.931) 7.189 9.898 ( -5.784 0.000 3.569) 6.796 9.909 ( 7.366 0.000 3.152) 8.012 10.382 ( 4.882 0.000 2.671) 5.565 10.390 ( -8.147 0.000 1.819) 8.347 10.616 ( -7.917 0.000 0.171) 7.919 10.650 ( 5.550 0.000 -0.664) 5.589 10.795 ( -8.578 0.000 0.775) 8.613 10.863 ( 12.272 0.000 -3.009) 12.636 11.407 ( 8.101 0.000 2.675) 8.531 11.416 ( -7.428 0.000 1.447) 7.568 12.104 ( 3.037 0.000 1.735) 3.497 12.149 ( -1.748 0.000 -2.361) 2.938 12.644 ( -2.391 0.000 12.035) 12.270 12.848 ( 0.540 0.000 -8.295) 8.313 13.605 ( 4.877 0.000 4.338) 6.527 13.685 ( -4.409 0.000 -3.510) 5.636 14.634 ( -7.152 0.000 2.141) 7.466 14.664 ( 5.789 0.000 -0.604) 5.821 14.883 ( -4.771 0.000 1.845) 5.116 14.939 ( 4.983 0.000 -3.769) 6.248 15.755 ( -3.882 0.000 8.381) 9.237 15.950 ( 2.311 0.000 -11.131) 11.368 16.468 ( 3.748 0.000 4.063) 5.528 16.538 ( -3.566 0.000 -2.905) 4.600 17.445 ( -3.287 0.000 1.444) 3.590 17.477 ( 6.510 0.000 -1.521) 6.685 18.134 ( -1.638 0.000 3.295) 3.679 18.221 ( 0.683 0.000 -5.291) 5.334 18.678 ( -0.896 0.000 2.768) 2.910 18.743 ( 1.668 0.000 -3.766) 4.118 19.058 ( 2.683 0.000 0.998) 2.862 19.068 ( -3.403 0.000 0.114) 3.405 26.338 ( 3.767 0.000 5.283) 6.488 26.448 ( -2.944 0.000 -5.572) 6.302 27.153 ( 2.995 0.000 4.880) 5.726 27.259 ( -3.673 0.000 -5.637) 6.727 28.511 ( 0.553 0.000 1.789) 1.873 28.567 ( -0.427 0.000 -4.158) 4.180 29.629 ( 3.982 0.000 5.103) 6.472 29.690 ( -10.470 0.000 0.113) 10.471 31.132 ( -1.944 0.000 0.108) 1.947 31.195 ( 4.136 0.000 -4.961) 6.459 31.593 ( -8.158 0.000 2.754) 8.611 31.642 ( 9.305 0.000 -2.048) 9.528 32.181 ( -7.535 0.000 0.207) 7.538 32.199 ( 7.815 0.000 -1.546) 7.966 33.385 ( 15.418 0.000 10.500) 18.653 33.553 ( -12.583 0.000 -6.542) 14.182 ======================= Grid point 192 (84/126) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -19.830 0.000 15.732) 25.313 2.831 ( -19.298 0.000 6.507) 20.365 3.031 ( -22.161 0.000 -14.059) 26.244 3.210 ( -15.713 0.000 12.854) 20.301 4.024 ( 2.105 0.000 -21.825) 21.926 4.344 ( 17.778 0.000 -2.228) 17.917 4.506 ( 16.530 0.000 -4.836) 17.223 5.041 ( 0.711 0.000 14.355) 14.372 5.079 ( -11.765 0.000 4.679) 12.661 5.599 ( 12.616 0.000 -5.968) 13.957 5.803 ( -13.257 0.000 -8.975) 16.009 5.933 ( 2.047 0.000 -7.319) 7.600 6.038 ( -0.451 0.000 19.141) 19.147 6.327 ( -25.386 0.000 13.099) 28.566 6.477 ( 4.966 0.000 -13.287) 14.185 7.004 ( -3.813 0.000 -7.305) 8.241 7.053 ( -10.143 0.000 13.016) 16.501 7.389 ( -0.475 0.000 0.769) 0.904 7.578 ( -4.285 0.000 -1.596) 4.573 7.826 ( -5.597 0.000 -16.862) 17.766 7.896 ( -5.022 0.000 6.979) 8.598 8.346 ( 8.121 0.000 0.988) 8.181 8.472 ( -5.142 0.000 -4.764) 7.010 8.643 ( -2.660 0.000 3.869) 4.696 8.651 ( -1.246 0.000 -4.572) 4.738 8.890 ( -1.481 0.000 0.138) 1.487 9.133 ( -0.826 0.000 -0.144) 0.838 9.238 ( -1.945 0.000 11.212) 11.380 9.674 ( 7.855 0.000 1.375) 7.974 9.682 ( -9.764 0.000 0.154) 9.765 9.704 ( 1.245 0.000 -12.190) 12.253 10.025 ( 3.884 0.000 -0.377) 3.903 10.269 ( -0.847 0.000 -2.300) 2.451 10.312 ( -3.433 0.000 3.398) 4.830 10.571 ( -5.067 0.000 5.570) 7.530 10.721 ( 9.801 0.000 -1.807) 9.966 10.901 ( 8.443 0.000 -3.188) 9.025 11.211 ( 16.055 0.000 -0.018) 16.055 11.284 ( -2.211 0.000 -0.150) 2.216 11.636 ( 13.390 0.000 3.279) 13.785 12.095 ( -3.167 0.000 -2.684) 4.151 12.179 ( 4.127 0.000 -0.818) 4.208 12.625 ( -0.031 0.000 14.518) 14.518 12.884 ( 2.710 0.000 -6.764) 7.287 13.612 ( -2.975 0.000 -4.603) 5.481 13.755 ( 9.283 0.000 4.916) 10.504 14.483 ( -6.279 0.000 -0.825) 6.333 14.612 ( -6.083 0.000 5.088) 7.930 14.982 ( 9.645 0.000 -1.525) 9.765 15.079 ( 7.050 0.000 -0.856) 7.102 15.627 ( -7.278 0.000 9.418) 11.902 15.953 ( -2.091 0.000 -11.032) 11.228 16.459 ( -3.389 0.000 -2.764) 4.373 16.551 ( 3.561 0.000 3.478) 4.978 17.428 ( 1.938 0.000 -1.724) 2.594 17.635 ( 7.737 0.000 -3.379) 8.443 18.096 ( -1.584 0.000 4.576) 4.842 18.232 ( 0.281 0.000 -4.480) 4.488 18.654 ( -1.183 0.000 1.727) 2.093 18.758 ( -0.445 0.000 -4.052) 4.076 19.003 ( -2.257 0.000 0.251) 2.271 19.109 ( 1.829 0.000 2.018) 2.723 26.384 ( -3.182 0.000 -7.776) 8.402 26.421 ( 4.050 0.000 5.459) 6.797 27.152 ( -6.171 0.000 -5.430) 8.220 27.186 ( -0.400 0.000 5.948) 5.962 28.520 ( 0.280 0.000 1.770) 1.792 28.548 ( -1.265 0.000 -4.278) 4.461 29.449 ( -11.928 0.000 4.471) 12.739 29.640 ( -3.706 0.000 10.131) 10.787 31.115 ( 0.094 0.000 -0.460) 0.469 31.302 ( 3.370 0.000 -3.396) 4.785 31.483 ( 0.752 0.000 -2.273) 2.394 31.830 ( 7.676 0.000 -1.080) 7.751 32.049 ( -3.969 0.000 -2.912) 4.923 32.322 ( 2.790 0.000 1.957) 3.408 33.347 ( -5.485 0.000 -13.107) 14.208 33.728 ( 16.703 0.000 10.149) 19.545 ======================= Grid point 193 (85/126) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -19.701 0.000 28.632) 34.755 2.409 ( -16.833 0.000 -5.280) 17.642 2.673 ( -10.391 0.000 -28.077) 29.938 2.756 ( -24.469 0.000 20.462) 31.897 4.032 ( -3.211 0.000 -34.036) 34.187 4.185 ( -30.494 0.000 28.199) 41.533 4.744 ( -6.867 0.000 -7.632) 10.267 5.067 ( 20.473 0.000 -3.341) 20.744 5.110 ( -1.835 0.000 12.947) 13.077 5.576 ( -5.118 0.000 -3.551) 6.229 5.670 ( -2.925 0.000 3.662) 4.687 5.852 ( -4.291 0.000 -2.729) 5.085 6.003 ( -2.970 0.000 16.068) 16.340 6.097 ( 2.458 0.000 -8.045) 8.412 6.671 ( 12.329 0.000 -12.204) 17.348 6.826 ( -10.013 0.000 8.408) 13.075 6.887 ( -6.867 0.000 -7.132) 9.901 7.335 ( -4.637 0.000 10.601) 11.571 7.479 ( -4.602 0.000 -4.855) 6.689 7.683 ( -6.458 0.000 -14.783) 16.132 7.718 ( -8.842 0.000 2.230) 9.119 8.421 ( -3.426 0.000 5.549) 6.521 8.451 ( 0.221 0.000 -0.498) 0.545 8.565 ( -8.191 0.000 0.284) 8.196 8.605 ( 0.107 0.000 -1.836) 1.839 8.780 ( -5.718 0.000 -1.104) 5.824 9.080 ( -1.645 0.000 11.726) 11.841 9.200 ( -1.569 0.000 15.591) 15.670 9.639 ( 5.403 0.000 -15.675) 16.580 9.748 ( -0.849 0.000 5.402) 5.469 9.768 ( 3.965 0.000 -10.779) 11.485 10.079 ( 1.726 0.000 -7.563) 7.757 10.297 ( -0.186 0.000 3.558) 3.563 10.300 ( 1.338 0.000 1.238) 1.823 10.579 ( 6.824 0.000 -3.316) 7.587 10.874 ( 2.640 0.000 1.467) 3.020 11.041 ( 5.005 0.000 -1.156) 5.137 11.159 ( -2.670 0.000 1.761) 3.198 11.689 ( 23.526 0.000 -1.196) 23.557 11.947 ( 14.681 0.000 2.907) 14.966 12.035 ( -1.258 0.000 -1.358) 1.851 12.269 ( 4.081 0.000 -3.705) 5.512 12.627 ( -0.683 0.000 17.717) 17.730 12.941 ( 2.408 0.000 -5.713) 6.200 13.539 ( -3.773 0.000 -5.044) 6.299 13.972 ( 9.550 0.000 2.818) 9.957 14.380 ( -3.411 0.000 -4.668) 5.781 14.529 ( -0.767 0.000 9.631) 9.662 15.175 ( 7.496 0.000 -1.684) 7.683 15.212 ( 5.287 0.000 2.860) 6.011 15.503 ( -3.797 0.000 7.259) 8.192 15.842 ( -8.227 0.000 -14.844) 16.971 16.414 ( -0.565 0.000 0.162) 0.588 16.610 ( 1.786 0.000 1.555) 2.368 17.516 ( 5.759 0.000 -1.958) 6.083 17.770 ( 4.275 0.000 -6.789) 8.023 18.101 ( 2.995 0.000 8.454) 8.968 18.232 ( 0.143 0.000 -4.396) 4.398 18.640 ( -0.003 0.000 0.299) 0.299 18.721 ( -2.732 0.000 -3.414) 4.373 18.982 ( 0.194 0.000 -0.305) 0.361 19.128 ( -0.198 0.000 3.103) 3.109 26.297 ( -5.064 0.000 -9.781) 11.015 26.514 ( 4.630 0.000 5.613) 7.276 27.007 ( -7.162 0.000 -3.110) 7.808 27.117 ( -6.835 0.000 6.172) 9.210 28.512 ( -2.009 0.000 -3.319) 3.879 28.523 ( -0.114 0.000 1.610) 1.614 29.202 ( -11.261 0.000 6.922) 13.218 29.469 ( -12.107 0.000 9.605) 15.454 31.127 ( 0.828 0.000 0.817) 1.163 31.275 ( -2.854 0.000 -0.844) 2.976 31.678 ( 13.892 0.000 -5.321) 14.876 31.904 ( 0.156 0.000 -1.490) 1.498 32.076 ( 5.598 0.000 -4.229) 7.016 32.289 ( -5.677 0.000 5.978) 8.244 33.361 ( 7.489 0.000 -18.374) 19.841 34.082 ( 15.820 0.000 6.370) 17.054 ======================= Grid point 194 (86/126) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -10.358 0.000 36.699) 38.133 2.129 ( -14.856 0.000 33.097) 36.278 2.357 ( -6.479 0.000 -26.351) 27.136 2.571 ( 0.374 0.000 -34.565) 34.567 3.379 ( -40.115 0.000 50.185) 64.247 3.868 ( -8.294 0.000 -40.820) 41.654 4.586 ( -4.344 0.000 -7.025) 8.260 4.798 ( -18.858 0.000 8.676) 20.758 5.543 ( 20.544 0.000 -9.300) 22.551 5.609 ( 5.897 0.000 1.630) 6.118 5.671 ( 0.596 0.000 5.794) 5.825 5.956 ( 0.678 0.000 8.924) 8.949 5.982 ( 1.131 0.000 -6.496) 6.594 6.084 ( 4.970 0.000 3.894) 6.314 6.486 ( -13.687 0.000 3.775) 14.198 6.712 ( -9.797 0.000 -4.736) 10.881 7.067 ( 16.101 0.000 -16.628) 23.146 7.207 ( -7.554 0.000 15.517) 17.258 7.425 ( 0.155 0.000 -5.852) 5.854 7.560 ( -5.117 0.000 -9.304) 10.618 7.627 ( 2.155 0.000 0.105) 2.157 8.095 ( -18.982 0.000 6.638) 20.109 8.422 ( -1.736 0.000 0.933) 1.971 8.519 ( -0.269 0.000 3.675) 3.685 8.644 ( 2.028 0.000 -1.589) 2.577 8.687 ( -4.302 0.000 -1.854) 4.684 9.088 ( 1.766 0.000 9.873) 10.030 9.170 ( -1.813 0.000 15.421) 15.527 9.686 ( -4.209 0.000 6.608) 7.834 9.775 ( 6.313 0.000 -16.922) 18.061 9.855 ( 4.126 0.000 -8.075) 9.068 10.069 ( -3.393 0.000 -9.403) 9.997 10.283 ( 0.296 0.000 7.802) 7.808 10.345 ( 2.516 0.000 -2.168) 3.321 10.754 ( 7.476 0.000 -8.102) 11.024 10.825 ( -5.008 0.000 5.350) 7.328 11.131 ( 3.928 0.000 -1.611) 4.245 11.161 ( 0.893 0.000 1.959) 2.153 12.019 ( 1.495 0.000 -0.203) 1.509 12.102 ( 7.522 0.000 -0.781) 7.563 12.288 ( 16.029 0.000 0.494) 16.036 12.431 ( 16.462 0.000 4.748) 17.133 12.584 ( -3.795 0.000 14.138) 14.638 12.967 ( -0.308 0.000 -5.476) 5.485 13.505 ( 3.411 0.000 -4.948) 6.010 14.089 ( 1.187 0.000 -1.630) 2.016 14.331 ( -1.084 0.000 -6.858) 6.943 14.539 ( -4.669 0.000 4.057) 6.185 15.257 ( 0.636 0.000 0.091) 0.642 15.305 ( 3.359 0.000 4.373) 5.514 15.465 ( -0.671 0.000 3.519) 3.582 15.646 ( -7.261 0.000 -12.898) 14.801 16.437 ( 2.559 0.000 3.412) 4.265 16.622 ( -0.649 0.000 -0.777) 1.012 17.630 ( 3.965 0.000 1.545) 4.255 17.804 ( -0.205 0.000 -8.398) 8.400 18.238 ( 8.034 0.000 8.173) 11.460 18.266 ( 3.847 0.000 -4.550) 5.958 18.646 ( 0.037 0.000 -0.570) 0.571 18.658 ( -2.685 0.000 -2.716) 3.819 19.009 ( 2.563 0.000 -0.826) 2.693 19.099 ( -2.595 0.000 4.012) 4.778 26.197 ( -1.545 0.000 -3.766) 4.071 26.607 ( 2.878 0.000 5.898) 6.563 26.869 ( -5.462 0.000 -0.022) 5.462 26.882 ( -14.540 0.000 2.665) 14.782 28.473 ( -1.078 0.000 -1.210) 1.621 28.511 ( -1.158 0.000 1.379) 1.801 28.998 ( -7.451 0.000 8.742) 11.487 29.199 ( -11.144 0.000 1.076) 11.196 31.144 ( 0.703 0.000 2.002) 2.122 31.229 ( -1.409 0.000 -1.913) 2.376 31.930 ( 3.113 0.000 -3.801) 4.913 31.954 ( 9.600 0.000 -0.117) 9.600 32.139 ( -6.411 0.000 4.759) 7.984 32.180 ( 3.181 0.000 -2.616) 4.119 33.636 ( 17.707 0.000 -13.392) 22.201 34.313 ( 2.251 0.000 -4.043) 4.627 ======================= Grid point 195 (87/126) ======================= q-point: ( 0.00 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -6.995 12.129 35.054) 37.747 1.990 ( -2.420 16.218 37.350) 40.791 2.452 ( 8.958 6.776 -29.081) 31.175 2.775 ( -1.636 15.461 -28.758) 32.692 3.193 ( -9.754 32.295 39.879) 52.235 3.998 ( 9.496 14.653 -28.394) 33.333 4.463 ( -4.840 -2.275 9.855) 11.213 4.730 ( 7.204 10.303 -20.174) 23.770 5.584 ( -10.686 -1.696 14.193) 17.847 5.707 ( -1.505 0.212 7.588) 7.739 5.763 ( 0.586 -3.153 3.404) 4.676 5.820 ( 6.258 -3.785 -4.132) 8.400 6.027 ( 2.576 -4.112 -2.076) 5.278 6.212 ( 4.321 -1.915 -14.228) 14.992 6.458 ( 6.115 2.382 4.380) 7.890 6.547 ( -7.884 4.256 -3.951) 9.792 6.992 ( -11.009 -1.528 15.576) 19.135 7.289 ( 1.928 -1.318 -4.206) 4.811 7.329 ( 1.768 -9.457 -10.833) 14.488 7.387 ( 4.285 -9.753 -7.518) 13.038 7.750 ( -6.195 -4.437 1.106) 7.700 7.813 ( 12.311 -4.494 -4.132) 13.742 8.334 ( 3.030 -10.713 5.408) 12.377 8.404 ( -2.224 -4.144 -1.915) 5.078 8.680 ( 0.038 4.567 4.573) 6.463 8.731 ( -2.048 5.456 1.329) 5.977 8.988 ( -1.411 -3.677 8.363) 9.244 9.132 ( 1.395 -3.049 -2.805) 4.372 9.729 ( -1.654 8.280 11.847) 14.548 9.936 ( -1.582 2.962 2.942) 4.465 9.946 ( -3.876 0.726 -7.937) 8.863 10.018 ( 1.792 4.542 -4.292) 6.501 10.251 ( -0.241 -3.650 5.801) 6.858 10.455 ( 4.216 1.651 -13.170) 13.926 10.633 ( -5.310 -5.354 3.605) 8.358 10.769 ( 4.967 -6.560 -8.139) 11.573 11.208 ( -5.722 3.924 2.664) 7.432 11.260 ( 5.186 4.497 -2.474) 7.296 12.013 ( -8.729 -7.826 7.020) 13.665 12.092 ( 4.508 -1.730 -2.014) 5.231 12.346 ( -4.924 -5.012 12.587) 14.415 12.551 ( 10.385 -7.550 -7.014) 14.630 12.803 ( 4.227 2.593 2.901) 5.746 12.844 ( -7.306 -3.237 -0.712) 8.023 13.597 ( -4.126 -8.606 7.765) 12.304 13.776 ( 3.197 -6.525 -10.845) 13.054 14.411 ( 4.209 13.233 6.603) 15.376 14.566 ( -8.023 14.074 -8.539) 18.313 15.320 ( 0.475 -0.990 2.209) 2.467 15.353 ( 4.421 0.752 -0.856) 4.565 15.515 ( 1.284 5.109 3.503) 6.327 15.612 ( -4.415 5.183 -5.702) 8.881 16.445 ( 3.602 -6.140 5.142) 8.781 16.531 ( -2.742 -5.115 -3.445) 6.749 17.630 ( -0.089 -3.903 2.896) 4.861 17.668 ( -1.989 -9.236 0.240) 9.451 18.123 ( 0.509 -7.626 7.297) 10.567 18.277 ( 0.072 -9.451 -7.798) 12.253 18.674 ( 1.186 2.052 2.090) 3.159 18.742 ( -3.829 6.727 -5.365) 9.418 19.065 ( -4.571 2.653 2.947) 6.051 19.131 ( 5.678 2.509 -3.740) 7.248 26.388 ( 16.616 -2.498 2.050) 16.927 26.421 ( -11.883 -0.742 -1.406) 11.989 26.763 ( 2.002 -0.780 0.937) 2.344 26.784 ( -1.046 0.300 -1.107) 1.552 28.509 ( -1.351 3.010 0.042) 3.299 28.520 ( 2.696 2.570 -1.135) 3.893 28.968 ( 1.856 2.080 8.851) 9.280 29.133 ( 1.599 4.241 -8.223) 9.389 31.203 ( 1.237 4.284 2.261) 4.999 31.253 ( -1.164 4.137 -2.644) 5.046 31.859 ( -8.601 -4.908 6.843) 12.037 31.967 ( 7.332 -2.636 -4.336) 8.917 32.253 ( 3.568 5.270 2.743) 6.930 32.306 ( -3.570 10.335 -2.536) 11.225 33.950 ( 8.300 -4.737 3.260) 10.097 34.033 ( -18.251 0.356 -5.568) 19.085 ======================= Grid point 196 (88/126) ======================= q-point: ( 0.12 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 15.920 19.972 25.905) 36.379 2.113 ( 10.399 23.913 30.835) 40.383 2.595 ( 5.732 8.231 -28.544) 30.255 2.932 ( 17.512 12.349 -1.925) 21.514 3.252 ( 11.054 19.735 9.928) 24.702 4.307 ( 16.262 12.002 -13.217) 24.150 4.431 ( 2.694 0.087 8.648) 9.058 5.022 ( 12.704 1.477 -13.442) 18.554 5.343 ( -5.389 2.969 4.213) 7.457 5.619 ( -3.969 -2.368 0.361) 4.636 5.738 ( -0.815 8.306 6.129) 10.355 5.911 ( -3.413 2.125 0.097) 4.022 6.041 ( 2.705 -6.648 -10.059) 12.357 6.302 ( -3.483 6.973 -3.728) 8.640 6.446 ( 5.858 -12.256 -6.632) 15.117 6.576 ( -4.906 -5.383 12.338) 14.327 6.793 ( 1.008 4.190 5.936) 7.335 7.225 ( -2.737 -12.637 0.675) 12.948 7.426 ( 5.447 -3.892 -5.594) 8.724 7.509 ( 6.178 -3.853 -11.856) 13.913 7.718 ( 2.239 -0.649 -6.800) 7.188 8.143 ( 14.665 -10.286 -6.239) 18.968 8.323 ( -3.063 -12.573 3.924) 13.523 8.467 ( 6.593 -1.594 -2.098) 7.099 8.652 ( -0.935 2.690 3.363) 4.407 8.730 ( 1.355 4.735 3.564) 6.080 8.973 ( 0.625 -5.496 8.412) 10.068 9.213 ( 5.812 -1.239 -3.383) 6.838 9.654 ( -6.608 7.723 8.107) 13.001 9.790 ( -5.635 4.703 8.913) 11.547 9.939 ( -2.067 -0.500 0.502) 2.185 10.022 ( -0.893 5.060 -8.762) 10.157 10.249 ( -0.252 -5.652 2.738) 6.285 10.513 ( -4.925 1.285 -2.213) 5.550 10.517 ( 1.287 -3.582 -8.627) 9.429 10.895 ( 5.122 -7.945 -4.801) 10.603 11.050 ( -8.374 2.125 1.663) 8.798 11.305 ( -0.736 5.887 -0.703) 5.974 11.759 ( -15.296 -17.036 12.750) 26.206 12.090 ( -4.080 2.201 0.827) 4.709 12.281 ( 0.388 6.573 5.891) 8.835 12.378 ( -23.426 1.836 5.889) 24.224 12.751 ( 5.448 -10.293 -4.544) 12.501 12.960 ( 3.618 2.166 -3.720) 5.623 13.441 ( -2.809 1.836 2.832) 4.391 13.929 ( 2.920 -4.451 -2.705) 5.972 14.411 ( -0.665 13.818 2.111) 13.994 14.649 ( 8.600 5.251 0.490) 10.089 15.259 ( -3.303 -0.633 0.021) 3.363 15.434 ( 1.830 0.608 -1.151) 2.246 15.476 ( -6.159 3.456 -2.301) 7.428 15.607 ( 5.552 4.287 -1.577) 7.189 16.452 ( -3.775 -5.586 -3.622) 7.653 16.521 ( 2.490 -5.962 3.355) 7.281 17.572 ( -5.925 -4.713 3.603) 8.384 17.626 ( -1.357 -3.997 4.336) 6.051 18.114 ( -0.351 -3.721 4.545) 5.885 18.267 ( -1.417 -9.141 -7.520) 11.921 18.592 ( -4.407 2.791 0.383) 5.231 18.727 ( 0.308 3.401 2.340) 4.139 18.993 ( -1.960 0.663 0.757) 2.204 19.199 ( 0.911 1.641 -2.631) 3.232 26.200 ( -4.679 1.279 -1.795) 5.172 26.689 ( -4.022 -0.267 -2.313) 4.648 26.812 ( 10.916 -6.214 -0.757) 12.583 26.948 ( 14.257 -2.931 -4.507) 15.237 28.497 ( 0.180 3.092 -0.214) 3.104 28.576 ( 1.687 2.480 -2.295) 3.776 29.093 ( 8.521 -2.667 -0.840) 8.968 29.352 ( 18.381 1.824 -10.749) 21.371 31.212 ( -0.814 2.879 -0.977) 3.147 31.254 ( 1.699 4.949 0.286) 5.240 31.676 ( -9.124 -6.627 8.174) 13.927 32.076 ( 0.916 0.084 1.321) 1.610 32.166 ( -8.155 12.487 -1.341) 14.974 32.343 ( 6.703 4.987 -2.283) 8.661 33.393 ( -28.487 10.482 11.553) 32.479 34.137 ( 1.025 -6.972 6.128) 9.339 ======================= Grid point 197 (89/126) ======================= q-point: ( 0.25 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 23.923 17.669 16.247) 33.889 2.470 ( 25.714 28.052 17.058) 41.703 2.751 ( 10.642 7.809 -24.950) 28.226 3.385 ( 17.708 9.198 25.166) 32.117 3.533 ( 17.013 12.157 -28.461) 35.317 4.389 ( -4.270 1.311 11.690) 12.515 4.676 ( 9.540 8.859 2.262) 13.214 5.004 ( -0.978 0.441 4.646) 4.768 5.334 ( -7.571 5.373 -1.365) 9.384 5.609 ( 0.540 -0.715 0.356) 0.964 5.697 ( -7.238 5.053 4.211) 9.780 5.975 ( -12.196 3.374 6.311) 14.141 6.014 ( 20.845 1.117 -12.813) 24.494 6.281 ( 4.231 -4.868 -13.059) 14.565 6.406 ( 0.258 -3.647 -0.560) 3.699 6.614 ( 6.269 -10.200 0.885) 12.005 6.991 ( 11.196 1.347 0.766) 11.303 7.206 ( 0.994 -14.060 2.698) 14.351 7.529 ( 2.556 -3.918 -7.797) 9.093 7.649 ( 8.423 -0.645 -7.336) 11.189 7.826 ( 7.822 0.920 -10.065) 12.780 8.232 ( -5.492 -13.963 8.146) 17.073 8.311 ( 1.930 -7.284 0.286) 7.540 8.590 ( 5.051 -1.256 -3.405) 6.220 8.681 ( 1.866 1.206 7.218) 7.552 8.793 ( 4.065 2.071 -5.505) 7.150 9.081 ( 10.641 -8.418 6.865) 15.206 9.318 ( -0.440 0.616 -4.342) 4.408 9.502 ( -2.568 4.335 3.080) 5.905 9.704 ( -4.288 5.724 7.213) 10.158 9.850 ( -5.700 -1.107 7.221) 9.266 9.999 ( -0.847 4.241 -8.266) 9.329 10.232 ( -1.427 -5.057 1.945) 5.603 10.408 ( -3.885 2.202 -0.544) 4.498 10.541 ( 1.357 -4.686 -8.970) 10.211 10.817 ( -9.501 -7.440 1.951) 12.224 10.998 ( -0.203 0.399 -1.870) 1.922 11.263 ( -1.730 3.949 -0.044) 4.312 11.411 ( -16.792 -11.537 12.270) 23.783 11.952 ( -16.408 2.615 2.664) 16.828 12.047 ( -0.113 4.921 2.419) 5.485 12.299 ( 0.212 9.301 3.325) 9.880 12.778 ( -1.530 -3.575 2.525) 4.636 12.965 ( -2.707 2.345 -7.783) 8.567 13.462 ( 2.846 0.036 2.555) 3.825 13.896 ( -4.702 -4.233 -0.487) 6.346 14.452 ( 3.829 10.775 2.402) 11.684 14.710 ( -0.650 1.655 -5.394) 5.680 15.161 ( -6.979 2.582 2.187) 7.756 15.305 ( -9.041 3.485 -2.131) 9.921 15.575 ( 10.649 -0.878 5.634) 12.079 15.742 ( 6.590 2.206 -8.542) 11.012 16.374 ( -3.115 -5.952 -2.614) 7.208 16.554 ( 0.368 -6.044 1.253) 6.184 17.442 ( -5.121 -0.329 4.604) 6.894 17.589 ( -2.566 -3.550 4.768) 6.475 18.124 ( 0.851 -2.369 2.894) 3.836 18.219 ( -2.083 -4.750 -7.502) 9.121 18.573 ( 1.951 -2.242 0.583) 3.029 18.723 ( -0.559 1.626 3.073) 3.521 18.977 ( 0.294 -0.122 -1.179) 1.222 19.186 ( -1.835 0.523 -0.812) 2.074 26.191 ( 2.597 1.518 2.315) 3.796 26.600 ( -4.188 -0.359 -3.169) 5.264 26.951 ( 5.133 -2.184 0.725) 5.625 27.192 ( 6.948 -5.561 -5.532) 10.478 28.510 ( 0.865 3.140 0.603) 3.313 28.595 ( 0.558 3.087 -2.518) 4.022 29.289 ( 9.770 -2.088 -3.019) 10.437 29.722 ( 12.511 -4.785 -13.599) 19.088 31.191 ( -0.797 2.416 -3.448) 4.285 31.296 ( 0.858 3.576 1.893) 4.136 31.483 ( -6.988 -0.325 8.012) 10.637 31.996 ( -6.742 2.071 5.810) 9.138 32.057 ( -1.359 12.935 -0.902) 13.038 32.509 ( 5.504 7.393 -10.093) 13.668 32.975 ( -9.330 4.506 19.521) 22.100 34.034 ( -9.650 -6.919 2.997) 12.246 ======================= Grid point 198 (90/126) ======================= q-point: ( 0.38 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 17.979 15.370 11.953) 26.502 2.987 ( 13.249 5.511 -13.567) 19.748 3.162 ( 30.447 15.375 7.341) 34.890 3.516 ( 2.012 23.757 7.628) 25.033 3.959 ( 13.822 5.007 -21.157) 25.764 4.152 ( -15.729 1.730 2.137) 15.968 4.724 ( -4.071 12.111 10.073) 16.270 4.995 ( -4.369 3.907 3.308) 6.730 5.182 ( -4.681 5.354 4.492) 8.412 5.455 ( -4.223 -0.945 4.773) 6.443 5.792 ( 4.051 0.244 5.815) 7.092 5.838 ( 5.685 1.937 -1.978) 6.323 6.149 ( -3.725 -6.786 6.380) 10.031 6.341 ( 1.799 -7.837 -16.324) 18.197 6.706 ( 12.015 -2.151 -6.344) 13.756 6.725 ( 7.826 -5.401 -2.245) 9.770 7.203 ( 8.838 -0.279 -2.956) 9.324 7.250 ( 3.227 -11.304 5.425) 12.947 7.539 ( 0.083 -5.185 -4.817) 7.078 7.820 ( 4.895 3.692 -11.119) 12.697 7.952 ( 0.311 -9.875 0.728) 9.906 8.102 ( -4.797 -9.079 -0.096) 10.269 8.374 ( 7.128 1.293 6.318) 9.612 8.700 ( 1.835 0.989 0.846) 2.250 8.713 ( 4.133 -6.077 1.886) 7.588 8.877 ( 2.956 3.934 -10.008) 11.153 9.153 ( -6.604 -0.810 -1.940) 6.931 9.347 ( 8.517 -2.486 5.265) 10.317 9.482 ( -6.279 -2.944 1.679) 7.135 9.644 ( 0.249 0.606 6.640) 6.672 9.791 ( 3.042 5.141 3.756) 7.057 9.967 ( -2.393 1.600 -3.450) 4.493 10.233 ( 2.954 -1.242 0.416) 3.231 10.375 ( 0.105 -2.883 -1.459) 3.232 10.600 ( 4.673 -6.776 -2.614) 8.636 10.638 ( -5.726 -4.153 -2.000) 7.351 10.890 ( -10.220 1.093 -1.661) 10.412 11.050 ( -16.199 -6.634 9.731) 20.028 11.285 ( 2.852 0.428 0.623) 2.951 11.638 ( -12.694 1.469 0.656) 12.795 12.103 ( 4.306 6.037 1.256) 7.522 12.278 ( -2.245 8.537 1.158) 8.903 12.727 ( -2.911 0.987 7.646) 8.241 12.887 ( -3.337 1.854 -7.754) 8.643 13.518 ( 2.328 -1.158 3.375) 4.260 13.771 ( -6.139 -3.444 -2.059) 7.334 14.563 ( 6.554 7.377 0.240) 9.871 14.720 ( 1.505 1.758 -2.852) 3.673 14.998 ( -6.897 3.820 0.212) 7.887 15.101 ( -9.807 3.579 0.476) 10.451 15.772 ( 5.385 2.058 8.819) 10.536 15.871 ( 5.937 0.525 -12.547) 13.891 16.338 ( 0.252 -7.309 1.007) 7.383 16.535 ( -2.077 -6.048 -1.403) 6.547 17.392 ( 0.559 0.132 1.984) 2.065 17.516 ( -4.175 -2.283 3.678) 6.014 18.135 ( -0.127 -1.986 2.598) 3.273 18.194 ( -0.232 -2.566 -6.162) 6.679 18.637 ( 3.466 -2.958 -0.488) 4.583 18.707 ( -1.015 -0.649 2.029) 2.359 19.003 ( 2.100 -0.240 -0.979) 2.329 19.129 ( -3.336 -0.591 0.099) 3.389 26.267 ( 3.919 1.300 4.389) 6.026 26.516 ( -3.577 -0.148 -3.895) 5.291 27.052 ( 4.404 -1.857 2.655) 5.468 27.263 ( 0.507 -4.034 -4.944) 6.401 28.529 ( 0.822 3.228 1.426) 3.623 28.603 ( 0.195 3.270 -3.367) 4.698 29.489 ( 8.749 -0.854 -0.575) 8.809 29.815 ( -2.702 -4.136 -5.425) 7.337 31.186 ( 0.572 3.201 -5.261) 6.185 31.222 ( -4.990 1.407 3.601) 6.312 31.511 ( 7.090 5.287 0.337) 8.851 31.825 ( -8.881 4.151 5.171) 11.083 32.109 ( 5.498 8.072 -0.942) 9.811 32.448 ( -8.395 10.214 -3.847) 13.770 33.047 ( 11.821 -3.340 12.479) 17.511 33.780 ( -13.459 -6.133 -1.490) 14.865 ======================= Grid point 199 (91/126) ======================= q-point: (-0.50 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -6.727 6.050 10.461) 13.830 3.098 ( 3.594 13.485 -3.033) 14.282 3.578 ( 3.402 15.279 11.516) 19.433 3.729 ( -1.093 13.966 -2.774) 14.281 3.822 ( -2.966 15.713 -0.781) 16.010 3.981 ( 1.572 5.279 -17.175) 18.036 4.613 ( -6.873 1.516 16.269) 17.726 4.952 ( 11.631 8.989 -15.974) 21.709 5.304 ( 1.631 3.237 3.457) 5.009 5.355 ( 1.922 3.670 0.065) 4.144 5.886 ( 0.748 -1.992 1.451) 2.575 5.947 ( 1.138 -3.549 11.847) 12.420 6.059 ( -2.969 -1.055 -2.603) 4.087 6.361 ( 1.434 -6.853 -17.419) 18.774 6.685 ( -7.555 -3.180 13.676) 15.944 6.875 ( -0.090 -11.829 -3.807) 12.427 7.240 ( -1.702 -1.711 6.120) 6.579 7.353 ( 0.049 -1.103 -6.752) 6.841 7.633 ( 3.346 -3.946 1.902) 5.512 7.713 ( -4.998 -11.589 -0.086) 12.621 7.949 ( -0.305 -1.629 -1.303) 2.108 8.065 ( 0.115 -9.857 -6.110) 11.598 8.555 ( 6.166 -0.167 6.691) 9.101 8.707 ( -3.117 3.299 -7.470) 8.741 8.747 ( -1.908 -0.348 1.610) 2.520 8.847 ( -0.326 -1.144 -4.879) 5.022 9.163 ( -3.634 -1.972 1.816) 4.516 9.241 ( 2.749 0.950 -6.463) 7.087 9.592 ( 1.596 6.062 5.732) 8.494 9.651 ( 6.333 -3.745 0.894) 7.412 9.848 ( -4.122 -3.551 4.428) 7.014 9.942 ( 2.559 4.872 -4.310) 6.990 10.301 ( -5.010 -5.804 4.232) 8.757 10.362 ( 5.214 -4.486 -1.543) 7.049 10.578 ( -10.589 -1.713 5.937) 12.260 10.669 ( 1.537 -1.703 0.406) 2.330 10.727 ( 1.392 -4.757 0.037) 4.957 10.855 ( 7.022 -0.869 -6.787) 9.804 11.387 ( 6.457 -2.190 3.307) 7.578 11.428 ( -6.950 1.105 -1.210) 7.141 12.194 ( 1.641 7.330 1.408) 7.643 12.221 ( -0.652 6.572 -1.211) 6.715 12.673 ( -2.076 3.476 10.715) 11.455 12.852 ( 0.375 0.867 -7.163) 7.225 13.577 ( 3.427 -2.530 4.721) 6.358 13.666 ( -3.302 -1.732 -4.069) 5.519 14.681 ( -5.214 4.423 1.750) 7.058 14.702 ( 3.675 3.667 -0.207) 5.196 14.922 ( -3.386 4.079 1.704) 5.569 14.976 ( 4.084 3.770 -3.589) 6.616 15.777 ( -4.220 2.245 8.359) 9.629 15.969 ( 2.930 1.878 -10.675) 11.228 16.391 ( 4.216 -7.416 4.089) 9.460 16.469 ( -3.993 -6.758 -3.441) 8.570 17.438 ( -2.623 -0.665 1.089) 2.917 17.458 ( 5.178 -1.700 -0.673) 5.491 18.119 ( -1.364 -1.508 2.960) 3.591 18.197 ( 0.432 -2.487 -4.755) 5.383 18.667 ( -1.496 -1.305 2.031) 2.840 18.719 ( 2.897 -2.472 -3.294) 5.036 19.033 ( -2.294 -1.415 2.791) 3.880 19.076 ( 1.237 -0.101 -1.620) 2.041 26.348 ( 3.627 1.044 4.791) 6.099 26.447 ( -2.937 -0.006 -5.003) 5.802 27.131 ( 2.684 -2.177 4.447) 5.632 27.229 ( -3.325 -3.105 -5.164) 6.882 28.544 ( 0.561 3.289 1.829) 3.805 28.600 ( -0.462 3.246 -4.075) 5.230 29.638 ( 4.688 0.461 3.708) 5.994 29.667 ( -9.877 -2.358 1.800) 10.312 31.152 ( -1.714 2.059 0.449) 2.717 31.224 ( 3.321 2.811 -5.853) 7.293 31.639 ( -6.848 4.598 3.615) 9.006 31.703 ( 8.866 6.149 -2.700) 11.122 32.248 ( 4.801 5.981 0.236) 7.673 32.263 ( -6.223 7.497 -1.149) 9.811 33.347 ( 15.293 -3.784 9.411) 18.352 33.499 ( -12.253 -5.433 -6.002) 14.686 ======================= Grid point 200 (92/126) ======================= q-point: (-0.38 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -19.764 10.402 16.965) 28.046 2.975 ( -13.824 15.800 -5.904) 21.809 3.283 ( -23.219 23.055 -10.266) 34.293 3.406 ( -19.991 17.012 19.165) 32.501 3.895 ( 4.353 -6.467 -9.706) 12.449 4.273 ( 19.470 3.485 -12.352) 23.320 4.857 ( 22.124 14.662 2.235) 26.635 4.971 ( -10.638 0.851 1.653) 10.799 5.185 ( -7.838 8.742 5.578) 12.999 5.632 ( 13.544 2.799 -9.732) 16.911 5.738 ( -10.180 -3.909 0.216) 10.907 5.966 ( 0.613 -1.936 -1.464) 2.503 6.010 ( -1.230 0.152 8.646) 8.735 6.332 ( -20.236 -0.804 5.999) 21.122 6.439 ( 2.453 -1.921 -7.335) 7.969 6.779 ( -7.910 -13.648 1.731) 15.869 7.163 ( -5.269 3.154 4.185) 7.431 7.310 ( -3.363 -8.089 -1.555) 8.897 7.513 ( -4.034 -7.503 -1.752) 8.697 7.748 ( -3.212 -5.546 -0.701) 6.447 7.878 ( -6.543 -1.755 -1.311) 6.900 8.127 ( 5.014 -19.120 1.804) 19.848 8.522 ( -7.021 3.280 -7.796) 10.992 8.605 ( -2.865 -0.381 3.352) 4.426 8.761 ( -0.544 3.110 0.642) 3.222 8.832 ( -0.331 -2.999 -2.689) 4.042 9.114 ( -1.137 -1.202 2.272) 2.811 9.315 ( -1.252 5.660 6.486) 8.699 9.610 ( -1.194 -5.144 -8.876) 10.328 9.682 ( -0.913 -0.680 2.883) 3.099 9.809 ( 4.757 6.355 -1.406) 8.062 9.988 ( 1.069 -2.178 -1.646) 2.932 10.250 ( 1.388 -1.921 -1.296) 2.701 10.322 ( -2.545 1.925 3.525) 4.755 10.515 ( -3.801 -5.558 4.426) 8.058 10.651 ( 7.547 -6.509 -2.193) 10.205 10.911 ( 8.738 1.422 -3.511) 9.523 11.179 ( 18.187 -3.640 -2.936) 18.779 11.296 ( -4.395 0.959 -0.815) 4.572 11.603 ( 13.153 -3.484 4.636) 14.375 12.134 ( -3.213 3.957 -1.741) 5.386 12.295 ( 3.887 9.729 -0.729) 10.502 12.644 ( -1.252 2.175 12.816) 13.060 12.892 ( 3.115 1.247 -5.438) 6.390 13.591 ( -2.354 -2.494 -3.226) 4.708 13.704 ( 6.596 -3.473 3.988) 8.455 14.569 ( -3.747 7.576 -0.420) 8.463 14.639 ( -6.241 2.965 4.121) 8.045 15.019 ( 8.973 3.591 -1.260) 9.746 15.113 ( 7.185 3.441 -0.816) 8.008 15.640 ( -7.835 1.359 9.202) 12.162 15.981 ( -1.859 2.857 -10.932) 11.451 16.382 ( -3.474 -7.545 -3.107) 8.868 16.486 ( 4.080 -6.302 3.416) 8.248 17.427 ( 1.812 -0.126 -1.453) 2.326 17.581 ( 5.748 -4.769 -1.812) 7.685 18.085 ( -1.566 -1.157 4.120) 4.557 18.203 ( 0.128 -3.091 -4.236) 5.246 18.628 ( -1.865 -2.041 0.168) 2.770 18.773 ( 1.959 0.196 -4.209) 4.647 18.963 ( -2.796 -2.363 2.984) 4.723 19.128 ( 2.343 0.854 0.287) 2.510 26.382 ( -3.217 -0.113 -6.742) 7.471 26.428 ( 3.817 0.731 4.859) 6.222 27.119 ( -5.661 -3.302 -2.872) 7.155 27.164 ( -1.204 -2.229 3.390) 4.232 28.552 ( 0.146 3.221 1.680) 3.636 28.581 ( -1.218 3.180 -3.991) 5.247 29.432 ( -11.771 -1.394 5.139) 12.919 29.665 ( -2.974 1.468 7.769) 8.447 31.139 ( 0.254 2.474 -0.590) 2.556 31.316 ( 4.243 1.324 -4.220) 6.129 31.524 ( -1.829 4.680 -1.298) 5.190 31.912 ( 9.784 7.220 -3.072) 12.542 32.114 ( -5.013 6.871 -1.562) 8.648 32.359 ( 2.112 3.993 4.747) 6.553 33.301 ( -4.918 -4.535 -12.420) 14.107 33.685 ( 16.407 -4.122 8.632) 18.992 ======================= Grid point 201 (93/126) ======================= q-point: (-0.25 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -19.545 11.132 25.796) 34.225 2.613 ( -17.990 19.056 -10.635) 28.282 2.860 ( -25.388 13.349 21.735) 35.988 2.954 ( -10.275 22.259 -23.263) 33.797 3.954 ( -2.505 2.193 -14.959) 15.325 4.440 ( -16.851 17.177 5.363) 24.653 4.698 ( -7.260 -3.800 -2.791) 8.657 5.050 ( -0.366 1.194 1.418) 1.890 5.224 ( 6.474 7.866 8.284) 13.131 5.560 ( -3.728 -0.980 -1.510) 4.140 5.749 ( 1.548 1.311 5.226) 5.606 5.818 ( -7.091 2.248 3.128) 8.070 5.968 ( -3.065 -0.547 5.583) 6.393 6.207 ( 5.236 7.783 -6.853) 11.617 6.570 ( -8.836 -16.078 -0.272) 18.348 6.620 ( 12.565 -4.494 -13.474) 18.964 7.016 ( -8.907 3.754 -0.933) 9.711 7.228 ( -3.495 -9.543 4.571) 11.143 7.434 ( -4.479 -4.237 -1.808) 6.426 7.595 ( -9.227 -7.701 0.006) 12.018 7.738 ( -5.217 -0.418 -3.589) 6.346 8.205 ( 1.694 -18.912 6.042) 19.926 8.371 ( -9.663 -6.765 -1.262) 11.863 8.535 ( -3.260 1.847 1.145) 3.917 8.714 ( -4.896 -4.558 -0.699) 6.726 8.793 ( -1.080 10.985 -1.743) 11.174 9.041 ( -2.929 -5.116 8.640) 10.460 9.242 ( -4.245 5.259 7.760) 10.291 9.626 ( 5.140 -0.344 -11.856) 12.927 9.804 ( 6.712 -0.128 -0.203) 6.717 9.873 ( 1.779 9.226 0.742) 9.425 10.015 ( 1.934 -6.360 -4.088) 7.804 10.283 ( 1.419 -1.834 2.301) 3.267 10.335 ( -0.345 4.154 -1.213) 4.341 10.495 ( 4.132 -6.310 -2.773) 8.036 10.854 ( 9.827 -8.248 -1.755) 12.949 10.974 ( -2.745 3.946 -0.632) 4.848 11.259 ( 1.535 4.848 0.445) 5.104 11.576 ( 18.383 -9.789 -3.843) 21.178 11.935 ( 17.533 -3.180 5.353) 18.606 12.089 ( -0.093 4.357 -1.747) 4.695 12.359 ( 1.490 8.450 -2.517) 8.942 12.613 ( -2.046 -1.076 14.765) 14.945 12.958 ( 2.619 1.981 -3.989) 5.167 13.529 ( -3.186 -1.172 -3.869) 5.147 13.852 ( 5.846 -7.992 3.934) 10.655 14.489 ( -5.283 7.483 0.024) 9.160 14.594 ( 3.910 6.964 4.289) 9.065 15.196 ( 6.599 2.085 -1.287) 7.040 15.248 ( 5.048 3.605 2.845) 6.825 15.498 ( -4.642 -0.174 5.900) 7.509 15.879 ( -7.111 3.405 -13.692) 15.800 16.344 ( 0.045 -6.572 0.309) 6.579 16.552 ( 2.010 -5.664 1.207) 6.130 17.503 ( 4.763 -1.369 -1.627) 5.216 17.675 ( 2.749 -7.987 -2.368) 8.773 18.069 ( 0.092 -2.250 6.272) 6.664 18.209 ( 0.992 -3.660 -5.023) 6.294 18.599 ( -0.613 -2.023 -1.845) 2.806 18.793 ( 0.176 4.235 -3.425) 5.450 18.943 ( 1.070 -2.277 1.972) 3.197 19.160 ( 0.544 1.900 1.603) 2.545 26.295 ( -4.892 -0.059 -8.353) 9.680 26.518 ( 4.517 0.350 5.273) 6.952 26.975 ( -7.355 -3.175 -1.688) 8.187 27.087 ( -6.743 -2.734 4.219) 8.410 28.539 ( -1.708 2.840 -1.995) 3.869 28.559 ( -0.494 3.362 0.453) 3.428 29.191 ( -10.682 -0.579 6.711) 12.629 29.510 ( -11.283 2.649 7.023) 13.552 31.154 ( 1.007 2.924 0.295) 3.107 31.327 ( -1.936 4.558 -1.040) 5.061 31.622 ( 8.870 -2.098 -5.916) 10.867 32.051 ( 1.374 10.514 -0.285) 10.607 32.105 ( 5.442 3.358 -4.969) 8.099 32.323 ( -4.345 4.082 9.159) 10.929 33.329 ( 7.970 -2.998 -16.015) 18.138 34.029 ( 15.117 -5.020 4.692) 16.606 ======================= Grid point 202 (94/126) ======================= q-point: (-0.12 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -10.049 11.799 33.867) 37.245 2.302 ( -20.521 16.010 33.257) 42.231 2.377 ( -6.908 7.496 -26.488) 28.382 2.842 ( -2.673 21.319 -34.475) 40.622 3.654 ( -27.928 25.818 37.918) 53.706 3.992 ( -9.904 13.097 -27.109) 31.694 4.570 ( -5.176 -0.869 -1.241) 5.393 4.833 ( -14.862 4.222 -1.386) 15.513 5.469 ( 16.948 -4.777 -6.144) 18.649 5.615 ( 5.999 0.837 1.604) 6.266 5.785 ( 0.931 1.297 13.708) 13.801 5.816 ( -3.618 -1.755 6.098) 7.304 5.960 ( 3.364 -2.732 -5.608) 7.088 6.252 ( 0.230 9.456 -1.157) 9.530 6.359 ( -5.679 -8.798 -0.688) 10.494 6.756 ( -9.163 0.824 -5.277) 10.606 7.031 ( 15.973 -2.926 -16.516) 23.162 7.161 ( -4.358 -4.549 12.685) 14.163 7.344 ( -2.306 -5.018 -5.101) 7.518 7.431 ( -5.778 -9.932 -2.623) 11.786 7.678 ( 0.386 -0.115 -1.846) 1.890 8.016 ( -16.593 -6.710 6.439) 19.022 8.279 ( 1.676 -17.144 6.773) 18.510 8.471 ( -3.186 0.027 -1.319) 3.449 8.667 ( 0.215 0.733 -1.061) 1.308 8.775 ( -1.459 8.771 1.448) 9.008 9.010 ( -0.911 -5.079 6.080) 7.974 9.159 ( -3.335 0.562 1.976) 3.917 9.722 ( 2.642 2.237 1.047) 3.617 9.891 ( 2.489 7.129 0.393) 7.561 9.948 ( 4.600 5.204 -2.915) 7.532 10.036 ( -1.084 -4.394 -7.132) 8.447 10.270 ( -1.875 -0.687 8.580) 8.809 10.365 ( 3.825 1.469 -9.064) 9.947 10.609 ( 5.297 -9.064 -3.776) 11.156 10.825 ( -7.236 -2.554 -0.500) 7.690 11.093 ( 9.879 1.970 -2.559) 10.394 11.279 ( -0.860 5.674 1.823) 6.022 11.916 ( 12.322 -12.031 -3.582) 17.590 12.097 ( 1.523 1.905 0.386) 2.470 12.338 ( 4.447 -8.333 9.906) 13.687 12.388 ( 13.963 5.086 1.145) 14.905 12.573 ( 0.116 0.486 5.223) 5.247 12.977 ( -1.464 1.129 -3.214) 3.708 13.498 ( 2.095 -0.264 -2.753) 3.470 13.897 ( -2.770 -13.261 0.439) 13.554 14.394 ( -2.804 8.036 3.022) 9.031 14.700 ( 1.414 10.642 -3.288) 11.228 15.250 ( -0.008 -0.755 0.226) 0.788 15.324 ( 2.481 1.775 4.429) 5.378 15.478 ( 1.847 2.256 1.517) 3.287 15.720 ( -6.395 5.978 -10.748) 13.862 16.375 ( 2.599 -5.605 3.589) 7.145 16.568 ( -0.538 -5.474 -1.287) 5.649 17.596 ( 3.332 -3.588 0.706) 4.947 17.695 ( -0.485 -9.346 -1.701) 9.512 18.089 ( 1.603 -5.754 7.089) 9.270 18.254 ( 2.601 -6.874 -6.417) 9.757 18.616 ( 2.497 0.227 -1.757) 3.062 18.791 ( -0.526 6.574 -4.325) 7.887 19.005 ( 4.826 0.593 -0.174) 4.865 19.144 ( -2.293 3.083 2.683) 4.687 26.205 ( -1.079 0.922 -3.026) 3.342 26.610 ( 2.756 0.314 5.661) 6.304 26.800 ( -10.263 -5.023 0.169) 11.428 26.898 ( -8.469 0.010 0.881) 8.514 28.503 ( -1.011 3.001 -1.079) 3.346 28.542 ( -1.326 3.057 1.062) 3.498 29.011 ( -5.769 1.409 7.764) 9.774 29.252 ( -11.070 3.791 -0.280) 11.704 31.177 ( 1.129 3.549 1.534) 4.027 31.285 ( -1.769 5.107 -1.942) 5.743 31.802 ( 7.862 -4.399 -5.115) 10.360 32.040 ( -6.629 -0.705 5.199) 8.454 32.160 ( 4.137 5.284 -0.553) 6.734 32.311 ( 2.242 10.574 0.682) 10.830 33.603 ( 16.990 -2.894 -9.304) 19.586 34.249 ( 2.713 -5.733 -4.558) 7.810 ======================= Grid point 203 (95/126) ======================= q-point: ( 0.00 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -1.151 21.443 26.681) 34.249 2.439 ( -0.182 29.005 14.918) 32.617 2.682 ( 3.816 16.935 -13.753) 22.147 3.104 ( -0.631 20.213 -31.581) 37.501 3.900 ( -10.203 29.942 23.639) 39.490 4.219 ( 7.096 5.423 -9.100) 12.750 4.528 ( -5.947 16.005 21.923) 27.787 5.060 ( 7.566 21.376 -25.863) 34.396 5.527 ( -13.302 -6.245 15.705) 21.508 5.595 ( 1.786 -4.738 2.243) 5.538 5.703 ( 8.808 -4.186 -5.013) 10.965 5.843 ( 6.248 5.241 4.591) 9.359 5.893 ( 3.263 -11.407 -5.451) 13.057 6.125 ( -3.921 -6.073 -11.173) 13.308 6.503 ( -3.151 0.392 4.739) 5.704 6.607 ( 0.939 4.087 -6.034) 7.348 7.003 ( -6.740 0.500 6.036) 9.061 7.093 ( -2.591 -10.534 -0.440) 10.857 7.195 ( 2.299 -7.896 -1.323) 8.330 7.338 ( 4.843 1.872 -12.615) 13.641 7.600 ( -7.268 -9.980 1.905) 12.493 7.660 ( 10.071 -10.015 -3.370) 14.597 8.097 ( 6.441 -11.549 13.920) 19.200 8.329 ( -4.478 -4.353 -8.744) 10.745 8.750 ( 0.472 1.643 2.805) 3.284 8.808 ( -4.039 1.401 -2.082) 4.755 8.978 ( 1.733 3.118 12.031) 12.548 9.200 ( 0.023 8.052 -9.510) 12.462 9.793 ( 0.587 -0.672 8.243) 8.291 9.874 ( -4.038 -8.614 6.346) 11.436 9.890 ( 1.198 -7.406 3.433) 8.251 10.066 ( -0.596 -0.325 -5.484) 5.526 10.206 ( -0.568 -1.522 3.112) 3.510 10.354 ( 1.286 -8.605 -9.278) 12.720 10.589 ( 1.794 1.611 4.387) 5.006 10.767 ( -0.533 3.127 -11.839) 12.256 11.258 ( -6.874 0.630 3.168) 7.596 11.316 ( 5.787 0.162 -2.208) 6.196 11.721 ( -12.662 -19.592 13.378) 26.892 11.925 ( 11.124 -15.395 -7.455) 20.404 12.331 ( 4.511 1.349 2.630) 5.393 12.367 ( -5.975 -7.807 -0.469) 9.842 12.859 ( -6.434 5.231 3.623) 9.049 12.904 ( 6.279 7.529 -0.595) 9.822 13.544 ( -2.016 1.227 5.878) 6.334 13.716 ( 6.290 -0.225 -11.799) 13.373 14.647 ( 5.701 10.847 7.452) 14.342 14.793 ( -8.042 9.675 -6.422) 14.125 15.298 ( 0.576 -1.394 3.889) 4.172 15.369 ( 3.327 0.539 -3.128) 4.599 15.612 ( 0.376 4.206 5.697) 7.092 15.716 ( -3.876 4.911 -3.994) 7.422 16.329 ( 1.904 -4.814 2.851) 5.910 16.408 ( -1.372 -6.773 -4.162) 8.067 17.504 ( -0.023 -6.802 3.887) 7.834 17.538 ( -0.580 -5.139 0.064) 5.172 18.026 ( 0.700 -3.494 2.312) 4.247 18.104 ( 0.055 -7.770 -5.217) 9.359 18.694 ( 2.309 0.216 4.671) 5.215 18.811 ( -3.541 1.155 -6.935) 7.871 19.101 ( -3.370 0.631 2.757) 4.399 19.176 ( 2.897 1.842 -5.183) 6.216 26.352 ( 11.030 -1.025 2.974) 11.470 26.410 ( -10.461 -0.305 -2.895) 10.859 26.745 ( 3.073 -1.097 2.078) 3.869 26.782 ( -1.437 -0.417 -1.745) 2.298 28.586 ( -0.797 4.745 -0.200) 4.815 28.589 ( 1.555 4.504 -0.601) 4.802 29.006 ( 0.121 1.401 9.319) 9.424 29.182 ( 1.435 0.467 -8.515) 8.647 31.307 ( 1.319 5.991 1.848) 6.407 31.349 ( -1.682 5.458 -2.266) 6.144 31.812 ( -9.351 -0.047 9.461) 13.302 31.964 ( 9.267 1.911 -6.373) 11.409 32.319 ( 1.562 2.148 8.097) 8.522 32.488 ( -3.159 7.785 -8.611) 12.031 33.856 ( 10.613 -4.285 8.059) 13.998 34.033 ( -13.431 -0.330 -9.924) 16.703 ======================= Grid point 204 (96/126) ======================= q-point: ( 0.12 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 17.490 23.560 19.179) 35.055 2.595 ( 13.595 28.883 14.176) 34.928 2.822 ( 9.038 14.648 -15.767) 23.342 3.251 ( 13.159 19.916 -23.670) 33.616 3.833 ( 3.114 33.600 19.001) 38.726 4.464 ( 10.072 2.599 -1.718) 10.543 4.502 ( 7.507 10.385 12.824) 18.129 5.118 ( -7.677 7.925 -2.035) 11.220 5.405 ( 7.025 -1.276 -1.068) 7.219 5.574 ( -2.971 1.307 -0.481) 3.281 5.849 ( 2.329 -7.666 7.452) 10.942 5.947 ( -1.689 -1.863 -9.490) 9.818 5.959 ( 6.590 7.846 -6.962) 12.388 6.146 ( 9.223 -8.457 -12.807) 17.905 6.379 ( -6.132 -5.574 3.502) 8.997 6.579 ( -8.913 8.648 6.588) 14.058 6.891 ( 0.871 4.643 0.047) 4.725 7.002 ( -4.099 -9.331 2.404) 10.471 7.273 ( 5.159 -9.888 -1.973) 11.326 7.450 ( 5.809 -4.350 -7.606) 10.512 7.588 ( 5.152 -10.858 -7.743) 14.296 7.900 ( 9.158 -12.334 -2.911) 15.636 8.145 ( -1.089 -7.751 2.542) 8.230 8.363 ( 7.659 -8.075 0.436) 11.137 8.675 ( -4.115 -0.212 1.260) 4.309 8.768 ( -1.427 0.058 3.939) 4.190 9.003 ( 0.890 5.359 4.202) 6.868 9.286 ( 6.807 7.425 -4.400) 10.992 9.712 ( -7.481 -2.361 6.152) 9.969 9.803 ( -3.882 -4.596 12.045) 13.464 9.881 ( -2.300 -3.790 -0.224) 4.439 10.006 ( -3.101 -4.175 -2.840) 5.925 10.204 ( 0.371 0.312 3.786) 3.817 10.377 ( 0.664 -9.511 -8.637) 12.865 10.602 ( -1.176 5.488 -5.198) 7.650 10.778 ( -0.175 -2.976 -2.447) 3.857 11.085 ( -7.785 -0.142 1.496) 7.929 11.346 ( -3.350 -5.482 3.305) 7.225 11.463 ( -10.146 -8.697 9.761) 16.549 12.079 ( 1.383 -10.335 -3.678) 11.057 12.213 ( -9.063 -10.416 -0.518) 13.817 12.413 ( 3.458 5.291 3.071) 7.028 12.694 ( -2.087 6.184 -0.456) 6.542 13.040 ( 2.983 5.903 0.180) 6.616 13.493 ( -1.749 3.319 2.034) 4.268 13.876 ( 4.639 -1.856 -10.137) 11.301 14.652 ( -3.555 10.551 -1.479) 11.232 14.778 ( 3.989 7.642 5.575) 10.266 15.238 ( -1.861 -1.458 -0.118) 2.367 15.466 ( 3.033 2.080 -4.501) 5.813 15.539 ( -6.354 2.142 1.373) 6.844 15.695 ( 2.084 4.974 3.765) 6.578 16.314 ( -3.028 -7.363 -1.343) 8.074 16.412 ( 1.453 -4.629 -0.973) 4.948 17.483 ( -1.941 -4.208 3.279) 5.677 17.532 ( -0.422 -5.088 1.540) 5.333 18.043 ( 1.005 -3.418 1.383) 3.822 18.107 ( 0.312 -7.213 -5.417) 9.026 18.652 ( -6.153 3.017 -1.544) 7.024 18.746 ( -1.213 -0.893 2.471) 2.894 19.025 ( -2.626 2.408 1.142) 3.741 19.206 ( -0.180 -0.999 -2.116) 2.347 26.235 ( -3.592 2.291 -1.727) 4.598 26.652 ( 4.585 -5.604 2.055) 7.527 26.705 ( 5.329 -1.630 -2.665) 6.177 26.903 ( 7.980 -2.069 -1.425) 8.366 28.576 ( 0.219 4.864 -0.305) 4.878 28.642 ( 2.219 4.303 -1.651) 5.115 29.067 ( 6.155 -0.661 3.584) 7.153 29.343 ( 12.347 -2.562 -6.642) 14.252 31.290 ( -1.965 4.946 -0.946) 5.405 31.357 ( 1.348 5.070 0.847) 5.314 31.643 ( -6.495 2.727 8.067) 10.710 32.131 ( 3.502 5.620 -0.556) 6.645 32.319 ( -0.008 -1.088 -1.369) 1.749 32.427 ( -0.266 8.413 -0.613) 8.440 33.606 ( -23.017 10.126 -4.529) 25.550 33.980 ( -0.376 -8.294 8.373) 11.792 ======================= Grid point 205 (97/126) ======================= q-point: ( 0.25 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 19.341 19.082 12.011) 29.706 2.994 ( 21.965 26.591 3.769) 34.695 3.052 ( 13.101 20.990 -3.451) 24.983 3.580 ( 18.002 13.472 -16.327) 27.788 3.983 ( 8.597 30.635 5.726) 32.329 4.516 ( -0.268 10.800 7.496) 13.150 4.825 ( 9.597 5.629 0.025) 11.126 4.978 ( 2.508 0.853 3.669) 4.526 5.422 ( -11.248 -1.946 2.536) 11.693 5.572 ( 5.314 -2.232 6.365) 8.586 5.799 ( -5.547 4.715 0.263) 7.285 5.921 ( -0.591 -9.542 0.122) 9.561 6.068 ( -2.566 0.160 0.094) 2.573 6.208 ( -6.066 0.759 -2.692) 6.680 6.423 ( 14.562 6.674 -15.833) 22.523 6.484 ( 5.928 1.609 -1.405) 6.301 6.922 ( -0.023 -11.792 7.171) 13.801 7.035 ( 7.400 -1.038 -2.708) 7.948 7.381 ( 3.665 -10.384 -4.864) 12.038 7.579 ( 7.004 -7.118 -3.402) 10.550 7.766 ( 10.596 -7.136 -11.612) 17.264 7.918 ( -5.085 -13.334 -2.730) 14.530 8.229 ( 7.182 -5.639 2.843) 9.563 8.495 ( 3.260 -6.798 5.656) 9.425 8.660 ( 1.621 -2.205 -1.940) 3.354 8.781 ( 4.940 -6.262 2.242) 8.285 9.038 ( 2.927 3.737 -0.171) 4.750 9.379 ( -2.100 3.837 3.481) 5.590 9.587 ( -1.563 4.505 4.406) 6.493 9.652 ( -8.724 -8.930 5.174) 13.514 9.832 ( -1.801 -1.102 6.062) 6.419 9.976 ( -0.111 -4.930 -4.953) 6.989 10.222 ( 1.112 2.246 2.417) 3.482 10.376 ( -0.119 -8.236 -4.520) 9.396 10.517 ( -6.615 3.964 -3.753) 8.576 10.693 ( -6.207 -3.235 -0.639) 7.029 10.989 ( -2.818 -3.791 2.612) 5.398 11.214 ( -10.648 -6.746 9.088) 15.540 11.290 ( -4.540 -1.261 -0.024) 4.712 11.915 ( -13.379 -7.946 -6.169) 16.739 12.135 ( 1.684 3.536 0.736) 3.985 12.460 ( 0.146 5.938 2.981) 6.646 12.731 ( 3.055 1.534 -0.398) 3.442 13.044 ( -2.324 5.795 -1.815) 6.502 13.478 ( 0.257 1.670 2.222) 2.791 13.851 ( -5.585 -1.416 -4.412) 7.257 14.656 ( 2.976 9.471 1.133) 9.992 14.764 ( -2.863 4.124 -1.732) 5.311 15.217 ( -3.663 2.841 1.443) 4.855 15.382 ( -8.470 3.830 -1.033) 9.353 15.571 ( 9.804 0.684 0.435) 9.838 15.783 ( 5.318 1.847 1.230) 5.762 16.237 ( -3.757 -7.213 -2.887) 8.630 16.432 ( 0.080 -5.516 -0.792) 5.573 17.430 ( -2.716 -0.915 3.064) 4.195 17.512 ( -1.541 -4.016 2.048) 4.764 18.069 ( 1.186 -3.197 0.873) 3.520 18.113 ( 0.363 -5.922 -5.072) 7.806 18.563 ( -1.255 0.990 -0.839) 1.806 18.717 ( -1.711 -1.678 4.087) 4.738 18.993 ( -0.556 1.616 -1.105) 2.036 19.175 ( -2.555 -1.828 -0.185) 3.147 26.233 ( 2.448 2.696 1.453) 3.921 26.589 ( -3.797 -0.809 -2.032) 4.382 26.889 ( 6.538 -4.123 0.327) 7.736 27.076 ( 6.894 -5.741 -2.865) 9.418 28.590 ( 0.967 4.971 0.514) 5.090 28.673 ( 0.930 4.834 -2.289) 5.428 29.247 ( 9.910 -2.377 -0.315) 10.196 29.606 ( 10.217 -6.959 -4.684) 13.219 31.258 ( -0.760 4.400 -3.335) 5.573 31.350 ( -2.850 2.460 2.792) 4.687 31.571 ( 0.511 8.308 4.392) 9.412 32.068 ( -6.187 5.049 7.036) 10.643 32.309 ( -1.258 12.247 -4.423) 13.081 32.569 ( 11.277 -0.534 -3.930) 11.954 33.150 ( -18.490 12.233 2.777) 22.343 33.870 ( -9.309 -9.258 4.919) 14.020 ======================= Grid point 206 (98/126) ======================= q-point: ( 0.38 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 12.860 15.719 12.417) 23.804 3.263 ( 9.937 21.704 -12.006) 26.719 3.513 ( 21.050 19.435 13.977) 31.878 3.948 ( 14.859 8.389 -11.821) 20.758 4.126 ( 4.154 27.984 -2.676) 28.417 4.456 ( -3.064 22.303 -5.201) 23.105 4.785 ( -9.052 1.387 12.009) 15.102 5.116 ( -11.074 -3.642 -13.211) 17.619 5.264 ( 11.354 7.957 7.223) 15.634 5.552 ( -4.805 9.442 7.708) 13.101 5.767 ( -2.534 -3.177 15.830) 16.343 5.882 ( 8.097 3.402 -6.176) 10.736 6.065 ( -4.485 1.144 5.560) 7.235 6.116 ( 1.356 -14.389 -11.917) 18.732 6.601 ( 4.703 -5.317 -3.830) 8.066 6.666 ( 1.931 -3.642 -3.847) 5.639 7.037 ( 10.833 -10.222 1.525) 14.973 7.197 ( 8.492 -0.656 -1.030) 8.579 7.392 ( -2.183 -9.956 -4.349) 11.081 7.695 ( -3.739 -16.471 5.905) 17.892 7.823 ( 2.867 -1.865 -9.897) 10.471 7.944 ( 3.983 -5.618 -8.714) 11.107 8.379 ( 6.868 -4.805 4.913) 9.716 8.582 ( 5.564 -4.961 3.957) 8.440 8.676 ( 0.848 -3.698 -2.239) 4.405 8.914 ( 2.896 -5.198 -5.411) 8.042 9.105 ( 1.137 -1.060 -1.463) 2.135 9.323 ( 4.936 -0.831 9.441) 10.686 9.402 ( -11.579 -4.599 -2.256) 12.662 9.666 ( 1.980 1.617 12.216) 12.480 9.811 ( -0.054 -1.873 4.456) 4.834 10.003 ( 3.325 0.535 -8.228) 8.890 10.235 ( 0.234 0.521 -2.096) 2.172 10.319 ( -6.471 -1.762 3.569) 7.597 10.465 ( 4.715 -5.996 1.976) 7.879 10.590 ( -2.553 -0.161 -4.894) 5.522 10.894 ( -11.212 -8.874 9.544) 17.192 10.901 ( -12.100 -0.141 -2.902) 12.443 11.275 ( 1.538 -1.451 0.032) 2.115 11.638 ( -11.784 -2.295 -6.305) 13.561 12.219 ( 5.705 4.781 -1.242) 7.546 12.412 ( -4.434 4.332 3.196) 6.975 12.783 ( 1.685 5.385 3.313) 6.543 12.961 ( -4.518 5.963 -2.796) 7.987 13.496 ( 1.199 -0.815 3.285) 3.591 13.714 ( -5.916 -2.453 -3.268) 7.190 14.718 ( 2.584 7.680 0.800) 8.143 14.771 ( 3.383 3.756 -2.081) 5.466 15.095 ( -5.991 5.933 0.332) 8.438 15.191 ( -8.968 5.343 0.214) 10.441 15.816 ( 10.474 1.235 3.632) 11.154 15.881 ( 3.271 1.182 -1.536) 3.802 16.176 ( -1.098 -8.483 -1.890) 8.760 16.405 ( -2.736 -6.400 -2.812) 7.507 17.395 ( -0.229 0.104 1.981) 1.997 17.468 ( -2.466 -2.438 1.764) 3.891 18.085 ( 0.239 -3.012 1.075) 3.207 18.122 ( 0.514 -4.774 -4.004) 6.252 18.586 ( 2.788 -1.865 -0.716) 3.430 18.679 ( -1.895 -1.760 2.517) 3.609 19.002 ( 1.410 0.024 -1.539) 2.088 19.106 ( -3.788 -1.975 0.711) 4.331 26.304 ( 3.659 2.408 3.133) 5.385 26.514 ( -3.220 -0.042 -2.761) 4.242 27.002 ( 4.432 -3.313 1.787) 5.815 27.163 ( 1.473 -5.912 -3.407) 6.980 28.611 ( 0.944 5.161 1.369) 5.422 28.685 ( 0.251 5.070 -3.128) 5.963 29.455 ( 9.254 -2.873 0.070) 9.690 29.710 ( -0.521 -6.545 -0.630) 6.596 31.259 ( 0.271 4.055 -4.262) 5.889 31.267 ( -3.174 3.720 0.914) 4.975 31.657 ( 6.724 9.170 0.864) 11.403 31.926 ( -7.212 5.775 6.329) 11.199 32.318 ( 2.707 12.920 -1.222) 13.257 32.678 ( -7.439 12.076 -10.563) 17.684 32.977 ( 7.852 -2.812 11.525) 14.227 33.628 ( -12.818 -8.974 0.502) 15.655 ======================= Grid point 207 (99/126) ======================= q-point: (-0.50 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -3.370 15.138 12.655) 20.017 3.422 ( 3.792 19.705 -12.811) 23.808 3.790 ( 3.281 10.483 12.839) 16.897 4.066 ( -2.220 13.855 -11.133) 17.912 4.227 ( -1.377 27.578 6.852) 28.450 4.345 ( -8.538 30.253 -2.897) 31.568 4.599 ( 2.366 -2.465 14.074) 14.483 5.017 ( 4.942 -3.612 -24.945) 25.685 5.456 ( 1.354 12.482 2.119) 12.733 5.527 ( 6.834 12.363 -5.774) 15.260 5.787 ( 1.018 -10.392 16.683) 19.681 5.892 ( -6.766 2.158 9.629) 11.964 6.065 ( 1.469 0.231 -9.302) 9.420 6.179 ( 5.416 -9.653 -15.018) 18.656 6.603 ( -5.050 -6.836 4.884) 9.802 6.658 ( 0.362 -8.406 0.117) 8.415 7.180 ( 1.702 -5.392 4.695) 7.349 7.280 ( -5.084 -6.890 -3.673) 9.317 7.450 ( -2.556 -13.953 5.987) 15.397 7.493 ( 2.190 -10.134 1.072) 10.423 7.902 ( -3.103 -3.191 -2.562) 5.136 7.913 ( -2.842 -3.834 -3.523) 5.932 8.506 ( 4.457 -7.632 4.642) 9.983 8.620 ( -3.098 -9.146 -5.070) 10.906 8.762 ( 5.899 0.086 2.256) 6.316 8.845 ( -5.425 -1.935 -4.546) 7.338 9.135 ( -2.476 -0.790 2.297) 3.468 9.247 ( 2.459 -0.344 -8.698) 9.045 9.511 ( 7.041 -8.034 9.439) 14.255 9.644 ( -3.076 -1.802 -3.427) 4.945 9.838 ( 1.835 2.572 11.076) 11.518 10.060 ( -0.678 3.577 -7.048) 7.933 10.213 ( -2.448 -0.859 1.670) 3.085 10.276 ( 4.199 -2.923 -2.980) 5.921 10.540 ( -3.719 -6.973 6.818) 10.438 10.551 ( -9.214 -3.041 13.658) 16.754 10.660 ( 7.914 -4.059 -6.379) 10.945 10.843 ( 6.082 -0.702 -13.202) 14.553 11.333 ( 3.077 -2.969 4.907) 6.508 11.443 ( -5.613 -0.009 -6.326) 8.457 12.295 ( -4.813 2.942 3.389) 6.581 12.355 ( 5.530 5.629 -2.717) 8.345 12.789 ( -1.795 8.136 7.636) 11.301 12.905 ( 0.290 5.061 -4.085) 6.510 13.524 ( 1.218 -2.701 5.390) 6.150 13.630 ( -1.564 -1.849 -5.052) 5.603 14.781 ( -1.176 5.518 0.886) 5.711 14.787 ( -0.348 4.810 0.389) 4.838 15.029 ( -1.082 6.678 1.575) 6.946 15.076 ( 2.181 6.248 -2.951) 7.246 15.835 ( -5.433 3.444 8.103) 10.346 16.009 ( 5.417 1.596 -7.540) 9.420 16.224 ( 5.141 -8.989 2.671) 10.694 16.315 ( -5.476 -7.896 -4.924) 10.797 17.421 ( -0.230 -1.281 0.919) 1.593 17.427 ( 1.529 -1.112 0.246) 1.906 18.078 ( -0.958 -2.742 1.864) 3.451 18.128 ( 0.026 -4.595 -2.997) 5.486 18.635 ( -1.818 -1.611 0.703) 2.528 18.660 ( 3.430 -3.056 -1.882) 4.964 19.014 ( -3.089 -0.764 2.612) 4.117 19.059 ( 2.289 -1.612 -1.989) 3.434 26.378 ( 3.228 1.966 3.592) 5.214 26.450 ( -2.804 0.423 -3.621) 4.599 27.074 ( 1.952 -3.632 3.331) 5.300 27.148 ( -2.441 -5.114 -3.917) 6.889 28.628 ( 0.605 5.309 1.823) 5.646 28.681 ( -0.586 4.997 -3.707) 6.249 29.589 ( -3.244 -5.014 5.250) 7.952 29.636 ( 0.411 -1.915 0.057) 1.959 31.209 ( -1.411 3.787 1.316) 4.250 31.295 ( 2.361 4.542 -6.943) 8.626 31.753 ( -4.761 6.583 5.854) 10.014 31.859 ( 7.959 9.389 -4.809) 13.214 32.408 ( 4.472 10.574 2.860) 11.832 32.463 ( -9.272 12.516 -2.675) 15.805 33.257 ( 15.197 -4.986 6.240) 17.168 33.361 ( -11.540 -8.344 -4.182) 14.842 ======================= Grid point 208 (100/126) ======================= q-point: (-0.38 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -17.446 18.529 14.507) 29.294 3.378 ( -8.092 23.294 -13.826) 28.271 3.594 ( -20.183 6.288 16.582) 26.867 3.797 ( -19.594 26.756 -9.369) 34.461 4.129 ( 2.335 27.248 0.041) 27.348 4.436 ( 12.023 12.977 -6.472) 18.837 4.828 ( 6.963 -4.656 9.410) 12.599 5.087 ( 2.336 1.155 -7.637) 8.069 5.456 ( -3.822 12.854 -9.718) 16.561 5.663 ( -1.350 1.069 0.340) 1.755 5.694 ( -2.724 -3.625 12.761) 13.543 5.887 ( 8.550 0.330 -6.533) 10.765 6.064 ( -0.855 4.156 -4.376) 6.096 6.224 ( -3.547 -9.581 -4.245) 11.063 6.459 ( -7.335 2.100 3.958) 8.595 6.612 ( -4.609 -0.857 0.640) 4.731 7.094 ( -5.273 -12.376 -2.535) 13.689 7.178 ( -7.066 -2.998 3.426) 8.406 7.297 ( -1.573 -12.293 3.729) 12.942 7.660 ( 0.759 -10.181 8.721) 13.426 7.752 ( -6.719 -11.290 -1.718) 13.250 7.823 ( -4.597 -4.614 -0.283) 6.519 8.497 ( -8.136 -8.611 -4.964) 12.845 8.559 ( -0.055 -4.704 1.211) 4.857 8.710 ( -4.708 -2.777 -1.808) 5.758 8.852 ( 1.492 -1.349 0.437) 2.058 9.103 ( -2.692 0.513 -1.034) 2.929 9.360 ( 6.230 -3.077 3.740) 7.891 9.533 ( -0.965 -1.461 -5.197) 5.484 9.633 ( 1.188 -3.219 3.192) 4.686 9.833 ( -0.923 -1.446 2.963) 3.424 10.021 ( -1.570 3.011 -2.531) 4.235 10.197 ( -0.050 -3.693 -0.818) 3.782 10.363 ( 3.470 -1.867 -0.538) 3.977 10.430 ( -1.616 1.835 5.717) 6.218 10.521 ( 4.556 -6.386 1.465) 7.980 10.924 ( 13.159 -1.250 -6.687) 14.813 11.098 ( 14.813 -4.316 -8.671) 17.699 11.289 ( -3.934 -1.706 -0.462) 4.313 11.515 ( 9.403 -4.968 4.856) 11.691 12.204 ( -3.170 2.358 0.230) 3.957 12.463 ( 4.055 6.317 -2.042) 7.779 12.725 ( -4.058 6.413 8.425) 11.339 12.957 ( 3.817 5.884 -1.759) 7.231 13.530 ( -0.843 -2.945 1.506) 3.414 13.662 ( 4.206 -1.442 0.131) 4.448 14.693 ( -3.679 4.828 3.137) 6.833 14.750 ( -3.131 8.080 -0.582) 8.684 15.108 ( 7.144 5.338 -0.615) 8.939 15.201 ( 7.285 5.347 -0.769) 9.070 15.676 ( -8.959 2.213 8.362) 12.453 16.055 ( -1.893 4.473 -10.138) 11.241 16.202 ( -2.876 -10.187 -3.406) 11.120 16.342 ( 4.895 -7.627 2.937) 9.527 17.421 ( 1.281 -0.727 -0.624) 1.599 17.489 ( 2.846 -4.128 0.191) 5.018 18.050 ( -1.538 -2.579 2.759) 4.078 18.121 ( -0.577 -5.066 -2.513) 5.684 18.592 ( -1.820 -1.340 -1.053) 2.493 18.738 ( 3.651 -3.148 -3.112) 5.738 18.956 ( -1.597 1.152 2.744) 3.377 19.121 ( 2.859 -1.626 -0.652) 3.352 26.385 ( -3.285 0.524 -4.701) 5.759 26.448 ( 3.290 1.307 3.701) 5.122 27.037 ( -5.419 -4.899 -0.661) 7.335 27.105 ( -1.655 -3.708 1.029) 4.189 28.636 ( -0.034 5.294 1.549) 5.517 28.659 ( -1.294 4.769 -3.332) 5.960 29.399 ( -10.582 -2.226 5.523) 12.142 29.658 ( -2.417 -2.643 3.626) 5.097 31.204 ( 0.777 4.055 -0.527) 4.162 31.357 ( 3.362 3.149 -4.939) 6.753 31.654 ( -2.943 7.995 0.507) 8.534 32.061 ( 9.086 7.763 -6.455) 13.582 32.294 ( -5.445 10.603 1.209) 11.981 32.482 ( 0.398 9.016 8.757) 12.575 33.192 ( -2.734 -6.159 -9.923) 11.995 33.591 ( 16.024 -5.144 4.621) 17.452 ======================= Grid point 209 (101/126) ======================= q-point: (-0.25 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -18.005 21.352 18.660) 33.590 3.039 ( -21.838 19.689 -5.962) 30.002 3.139 ( -20.899 22.052 14.941) 33.857 3.472 ( -10.919 26.731 -22.902) 36.855 4.176 ( -0.325 17.652 -8.481) 19.586 4.621 ( -1.457 -1.542 -0.004) 2.121 4.771 ( -5.561 13.994 3.185) 15.391 5.110 ( -1.918 5.740 -7.676) 9.775 5.394 ( -2.533 8.416 11.235) 14.264 5.522 ( -6.343 -4.614 1.529) 7.992 5.643 ( -2.475 -3.345 14.681) 15.259 5.964 ( -5.910 4.132 3.731) 8.119 6.051 ( -0.529 11.387 -0.859) 11.432 6.133 ( 1.749 -16.411 -7.728) 18.224 6.439 ( -0.518 -0.109 -8.968) 8.983 6.594 ( 9.357 6.920 -11.313) 16.230 6.978 ( -7.911 -7.359 3.086) 11.236 7.065 ( -1.289 -6.987 -5.132) 8.765 7.274 ( -1.816 -10.061 4.982) 11.373 7.494 ( -11.183 -5.309 7.142) 14.292 7.625 ( -4.628 -11.125 -1.578) 12.152 7.840 ( 2.580 -13.784 3.945) 14.568 8.255 ( -14.247 -7.578 1.039) 16.170 8.529 ( -2.489 -2.759 -1.258) 3.923 8.662 ( -0.479 -0.932 -1.466) 1.802 8.849 ( -0.743 -9.835 -1.814) 10.029 9.020 ( -2.890 7.538 1.934) 8.301 9.382 ( -4.540 7.950 6.718) 11.355 9.621 ( 7.748 -1.698 -6.458) 10.228 9.706 ( 5.868 -7.534 3.250) 10.088 9.849 ( 1.712 -8.411 1.964) 8.805 10.005 ( 0.692 2.077 -3.368) 4.017 10.209 ( 0.690 -6.383 2.831) 7.017 10.359 ( -1.537 -2.614 -4.583) 5.496 10.481 ( 3.741 5.796 2.373) 7.295 10.701 ( 9.668 -6.201 -1.093) 11.537 11.073 ( 0.966 2.822 -7.464) 8.038 11.287 ( 4.089 -3.105 -0.291) 5.142 11.395 ( 12.619 -5.560 -6.578) 15.278 11.769 ( 13.571 -13.582 7.873) 20.752 12.169 ( -0.079 3.017 -2.692) 4.044 12.511 ( -0.229 5.135 -2.041) 5.530 12.635 ( -3.464 5.055 8.770) 10.698 13.032 ( 2.509 5.935 -0.354) 6.453 13.507 ( -0.949 -0.427 0.032) 1.041 13.754 ( 2.918 -2.663 3.861) 5.524 14.617 ( -3.618 6.300 3.965) 8.276 14.762 ( 5.021 9.063 -0.956) 10.405 15.245 ( 4.111 2.765 -1.227) 5.104 15.335 ( 3.740 4.982 2.985) 6.908 15.510 ( -4.301 1.604 3.693) 5.891 15.937 ( -6.668 1.155 -9.737) 11.858 16.214 ( 2.383 -5.048 -1.216) 5.713 16.418 ( 2.089 -7.491 0.729) 7.811 17.462 ( 2.052 -3.044 0.017) 3.671 17.535 ( 1.410 -5.629 0.376) 5.815 18.023 ( -0.905 -2.644 3.161) 4.219 18.107 ( -0.474 -5.934 -2.926) 6.633 18.572 ( 0.396 -0.657 -1.389) 1.586 18.807 ( 2.791 -2.330 -4.632) 5.888 18.964 ( 2.451 3.840 1.786) 4.894 19.168 ( 1.371 -1.347 0.485) 1.982 26.301 ( -4.366 0.809 -5.499) 7.068 26.527 ( 4.142 0.547 4.286) 5.985 26.895 ( -7.797 -4.770 -0.164) 9.142 27.028 ( -5.855 -3.276 1.428) 6.860 28.614 ( -1.862 4.727 -1.760) 5.377 28.640 ( -0.572 4.974 0.656) 5.050 29.183 ( -9.288 -0.496 5.862) 10.994 29.521 ( -9.956 -1.897 2.837) 10.525 31.233 ( 1.742 4.844 -0.726) 5.199 31.406 ( 0.645 3.306 -1.978) 3.906 31.659 ( 3.728 5.698 -4.624) 8.232 32.177 ( 0.815 4.356 2.646) 5.161 32.218 ( -3.215 6.023 -0.626) 6.855 32.466 ( 0.944 9.707 4.271) 10.647 33.273 ( 9.923 -1.819 -8.031) 12.895 33.919 ( 14.170 -5.786 0.625) 15.318 ======================= Grid point 210 (102/126) ======================= q-point: (-0.12 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -11.220 21.103 24.483) 34.214 2.615 ( -15.745 20.403 3.297) 25.982 2.766 ( -12.574 27.995 0.948) 30.703 3.249 ( -9.888 20.053 -29.075) 36.677 4.123 ( -4.050 15.933 -1.455) 16.504 4.296 ( -18.519 9.862 7.502) 22.282 4.695 ( -7.198 22.251 15.287) 27.939 5.013 ( -4.976 15.559 -15.470) 22.498 5.384 ( 10.801 -2.762 -1.199) 11.213 5.585 ( 5.240 -8.480 4.827) 11.075 5.688 ( 3.429 0.173 9.431) 10.036 5.869 ( -10.528 -6.048 8.201) 14.651 5.894 ( -3.976 -1.814 0.763) 4.437 6.174 ( 0.123 -3.971 -14.152) 14.699 6.455 ( 3.321 8.382 -4.754) 10.192 6.702 ( -5.570 -5.414 -2.357) 8.118 6.982 ( 10.786 -3.292 -9.956) 15.043 7.070 ( 0.458 -4.227 -0.826) 4.331 7.220 ( -3.125 -9.039 3.495) 10.183 7.308 ( -4.458 -0.324 -0.954) 4.571 7.564 ( -0.531 -10.855 -2.745) 11.209 7.836 ( -9.129 -12.477 3.281) 15.804 8.000 ( -2.214 -8.507 12.813) 15.538 8.444 ( -5.196 -3.589 -4.896) 7.991 8.695 ( 3.119 1.552 -1.115) 3.658 8.856 ( 0.688 -7.137 -2.691) 7.658 8.970 ( -2.146 8.400 8.276) 11.986 9.270 ( -5.127 8.376 -3.413) 10.396 9.741 ( 3.826 -0.594 2.449) 4.581 9.834 ( 4.322 -8.557 7.844) 12.387 9.896 ( 2.088 -9.628 -0.096) 9.852 10.039 ( 2.077 -0.815 -4.096) 4.664 10.215 ( -0.197 -5.228 2.558) 5.824 10.340 ( 0.005 -2.549 -8.513) 8.886 10.543 ( 2.307 2.790 4.567) 5.828 10.804 ( -0.812 -0.091 -6.693) 6.743 11.147 ( 8.081 1.457 -4.544) 9.384 11.340 ( -0.577 -0.219 1.832) 1.933 11.647 ( 11.970 -13.528 -5.869) 18.993 11.941 ( -2.279 -20.369 9.414) 22.554 12.219 ( 5.467 1.017 -1.129) 5.674 12.463 ( -2.962 0.222 -1.549) 3.350 12.657 ( 7.059 8.515 3.034) 11.469 13.032 ( -3.299 5.286 0.997) 6.310 13.512 ( 1.969 2.032 1.316) 3.121 13.741 ( -3.972 -3.309 1.338) 5.340 14.577 ( 0.454 9.727 4.742) 10.831 14.886 ( 2.659 8.654 -3.419) 9.677 15.231 ( -1.075 -1.042 -0.187) 1.509 15.363 ( 0.663 2.149 3.691) 4.322 15.553 ( 4.389 4.912 1.100) 6.679 15.813 ( -4.960 2.500 -6.008) 8.182 16.272 ( 2.920 -3.715 0.636) 4.768 16.433 ( -0.453 -7.737 -1.659) 7.926 17.492 ( 0.885 -6.227 2.290) 6.694 17.549 ( -0.069 -5.371 0.252) 5.377 18.015 ( 0.107 -2.903 2.781) 4.022 18.104 ( 0.108 -7.375 -4.091) 8.434 18.619 ( 3.733 0.173 1.159) 3.913 18.843 ( 0.443 -0.653 -5.860) 5.912 19.053 ( 5.377 3.749 -1.475) 6.719 19.174 ( -0.888 -0.217 0.698) 1.151 26.232 ( -0.482 1.802 -1.674) 2.506 26.620 ( 2.948 0.728 4.889) 5.755 26.697 ( -9.905 -5.303 -1.677) 11.360 26.886 ( -6.412 -1.178 0.300) 6.526 28.579 ( -0.970 4.639 -0.828) 4.811 28.620 ( -1.468 4.860 0.660) 5.119 29.038 ( -4.062 0.968 6.620) 7.827 29.292 ( -9.972 -0.047 -2.169) 10.206 31.271 ( 1.799 5.716 0.507) 6.013 31.389 ( -1.665 5.141 -1.803) 5.697 31.785 ( 7.567 2.260 -6.344) 10.130 32.024 ( -10.385 -0.313 10.098) 14.489 32.255 ( 3.602 4.947 2.476) 6.601 32.512 ( 1.319 8.575 -6.065) 10.585 33.557 ( 15.559 -0.993 0.791) 15.610 34.132 ( 4.219 -5.836 -6.383) 9.623 ======================= Grid point 211 (103/126) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.100 26.279 18.947) 32.397 2.928 ( 1.313 19.896 -18.656) 27.306 3.175 ( -2.286 34.468 16.151) 38.133 3.564 ( 1.749 27.301 -22.410) 35.364 4.107 ( -4.776 -0.024 5.249) 7.097 4.226 ( 4.699 -3.160 -6.042) 8.281 5.059 ( -4.896 12.124 16.853) 21.331 5.161 ( -0.088 -4.024 2.951) 4.990 5.439 ( 3.524 -12.481 8.315) 15.406 5.501 ( -7.064 3.807 4.518) 9.210 5.706 ( -3.071 -4.191 -5.283) 7.410 5.789 ( 7.098 10.755 -5.743) 14.109 5.989 ( 3.089 3.442 -4.865) 6.713 6.087 ( 4.838 15.857 -8.291) 18.536 6.474 ( -7.750 -2.525 11.069) 13.746 6.703 ( 2.554 3.512 -9.525) 10.468 6.886 ( -0.670 -9.513 0.680) 9.561 6.922 ( 0.772 -7.454 -4.735) 8.864 7.135 ( 1.058 -2.604 3.021) 4.126 7.308 ( 0.828 -7.682 -11.468) 13.828 7.434 ( -8.980 -2.483 4.890) 10.522 7.539 ( 9.138 -1.747 -6.503) 11.351 7.939 ( 4.849 -4.436 16.984) 18.211 8.244 ( -4.362 -3.881 -12.692) 13.971 8.697 ( -1.990 -7.046 3.880) 8.286 8.794 ( 0.636 -3.376 -5.103) 6.151 9.083 ( -0.232 6.333 15.602) 16.840 9.336 ( -0.289 4.435 -10.308) 11.225 9.637 ( -2.384 -11.976 13.230) 18.004 9.734 ( 1.184 -3.790 8.710) 9.573 9.784 ( 2.322 -4.930 -0.518) 5.474 9.984 ( 0.797 -5.950 -14.376) 15.580 10.172 ( 2.018 -1.654 5.194) 5.813 10.277 ( -4.252 0.589 -4.694) 6.361 10.647 ( 2.104 2.123 5.104) 5.915 10.787 ( -0.812 -1.212 -8.351) 8.478 11.188 ( -6.120 -10.841 4.193) 13.137 11.216 ( 1.549 -8.398 1.412) 8.656 11.415 ( -0.488 -10.479 8.285) 13.368 11.628 ( 2.599 -12.337 -11.719) 17.213 12.261 ( -6.468 -3.278 4.645) 8.611 12.351 ( 5.723 -0.366 -4.573) 7.335 13.007 ( -0.680 9.427 4.659) 10.537 13.080 ( 1.133 10.321 -2.329) 10.641 13.580 ( -0.605 1.497 5.097) 5.347 13.728 ( 4.033 0.473 -10.135) 10.918 14.821 ( 4.876 7.464 7.747) 11.811 14.949 ( -7.125 6.838 -3.709) 10.549 15.261 ( 1.734 -2.612 5.128) 6.011 15.360 ( 0.507 -1.701 -4.410) 4.754 15.663 ( -2.195 1.715 7.391) 7.898 15.790 ( 0.281 2.501 -4.301) 4.983 16.270 ( -1.694 -1.872 0.460) 2.566 16.322 ( 1.983 -1.174 -4.031) 4.643 17.410 ( 0.616 -3.294 2.725) 4.319 17.450 ( -0.552 -3.867 -1.137) 4.068 17.970 ( 0.444 -2.516 -0.147) 2.559 17.985 ( 0.142 -4.767 -1.717) 5.069 18.688 ( 1.857 -0.740 5.455) 5.810 18.806 ( -2.213 -1.449 -6.040) 6.594 19.099 ( -1.166 -0.308 3.617) 3.813 19.196 ( 0.424 0.270 -6.429) 6.449 26.348 ( 6.942 0.433 2.797) 7.497 26.410 ( -7.976 0.191 -3.527) 8.723 26.724 ( 3.293 -0.926 2.752) 4.390 26.770 ( -1.591 -0.888 -1.872) 2.612 28.678 ( 1.485 4.760 0.051) 4.986 28.686 ( -1.022 5.287 -0.630) 5.421 29.012 ( -0.037 -0.749 7.826) 7.862 29.155 ( 0.514 -2.891 -6.524) 7.155 31.417 ( 0.956 5.315 1.466) 5.596 31.452 ( -1.541 5.314 -1.913) 5.855 31.837 ( -6.624 1.753 10.208) 12.295 32.002 ( 8.306 0.888 -6.311) 10.469 32.372 ( -1.831 4.340 8.056) 9.332 32.593 ( -0.700 3.431 -13.631) 14.074 33.808 ( 6.767 -0.621 11.789) 13.607 34.019 ( -7.095 -1.214 -9.587) 11.988 ======================= Grid point 212 (104/126) ======================= q-point: ( 0.12 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 13.731 23.082 12.693) 29.706 3.116 ( 13.984 18.299 -13.587) 26.740 3.257 ( 10.160 35.611 14.078) 39.618 3.674 ( 8.000 23.647 -17.636) 30.565 4.169 ( 9.890 4.367 1.450) 10.908 4.424 ( 12.598 -5.148 -4.750) 14.415 4.939 ( -3.909 20.000 15.084) 25.354 5.207 ( 1.937 -14.125 2.742) 14.518 5.326 ( -5.859 17.914 7.144) 20.157 5.495 ( -2.714 -20.498 4.957) 21.262 5.666 ( 3.212 4.049 -1.562) 5.399 5.904 ( -2.073 -2.760 -10.038) 10.615 6.047 ( 8.995 1.294 1.279) 9.177 6.272 ( -6.829 -4.397 9.590) 12.567 6.373 ( 12.810 24.060 -17.713) 32.507 6.709 ( -1.655 3.177 -1.056) 3.735 6.815 ( -4.637 -6.812 3.197) 8.839 6.948 ( 1.488 -6.013 -4.760) 7.812 7.155 ( 0.179 -1.511 -0.050) 1.523 7.258 ( -2.009 -11.191 2.726) 11.692 7.458 ( 9.697 -1.888 -12.999) 16.327 7.727 ( 6.422 -5.733 -4.041) 9.509 8.017 ( 1.408 -4.870 9.091) 10.409 8.203 ( 2.326 -7.533 -4.322) 8.991 8.617 ( -4.085 -6.835 3.523) 8.708 8.732 ( -4.827 -4.257 -2.536) 6.917 9.102 ( 0.686 4.425 6.395) 7.806 9.394 ( 3.574 1.115 0.205) 3.750 9.564 ( -3.481 -7.723 14.583) 16.865 9.737 ( -2.481 -3.291 0.020) 4.121 9.814 ( 0.023 -3.917 3.061) 4.971 9.941 ( -3.194 -1.689 -9.548) 10.209 10.204 ( -0.078 -4.253 -2.889) 5.142 10.214 ( 0.341 -0.592 0.454) 0.821 10.700 ( 2.121 1.766 1.337) 3.066 10.737 ( -4.918 -0.949 -3.309) 6.003 10.995 ( -9.750 -9.054 3.480) 13.753 11.166 ( -2.679 -7.490 4.959) 9.374 11.410 ( -3.536 -3.092 5.096) 6.930 11.701 ( 2.744 -18.884 -11.323) 22.189 12.166 ( -2.073 -0.248 2.541) 3.289 12.473 ( 5.112 0.472 -1.971) 5.499 12.877 ( -5.314 11.238 1.240) 12.493 13.176 ( 2.538 8.040 0.216) 8.434 13.553 ( -1.680 2.606 2.640) 4.072 13.825 ( 3.162 -3.981 -10.709) 11.855 14.819 ( -4.094 7.232 -1.473) 8.440 14.913 ( 1.529 6.034 7.907) 10.064 15.209 ( -1.114 -1.390 -0.139) 1.787 15.451 ( 4.212 -4.126 -1.610) 6.112 15.588 ( -3.838 3.886 4.253) 6.922 15.781 ( -0.885 3.131 0.482) 3.289 16.220 ( -2.857 -1.754 0.307) 3.366 16.356 ( 1.080 -1.236 -4.269) 4.574 17.416 ( -0.159 -2.831 1.610) 3.261 17.449 ( 0.258 -3.417 -0.006) 3.427 17.984 ( 0.966 -2.801 -0.721) 3.049 17.992 ( 0.477 -4.851 -2.072) 5.297 18.697 ( -1.920 0.869 3.008) 3.673 18.716 ( -4.395 -1.006 -2.811) 5.313 19.065 ( -2.041 1.212 2.283) 3.294 19.174 ( -1.914 -1.816 -3.121) 4.087 26.284 ( -2.395 2.757 -1.661) 4.012 26.545 ( 7.303 -4.647 3.031) 9.172 26.700 ( 0.348 0.288 -1.963) 2.014 26.863 ( 5.941 -2.172 -0.543) 6.349 28.674 ( 0.314 5.261 -0.502) 5.294 28.733 ( 2.612 4.999 -0.940) 5.718 29.048 ( 4.244 -1.553 4.411) 6.315 29.267 ( 8.763 -5.042 -3.947) 10.853 31.390 ( -2.365 5.285 -0.636) 5.825 31.445 ( -0.218 4.555 0.940) 4.656 31.739 ( -2.482 5.797 6.725) 9.220 32.204 ( 8.560 -5.937 -3.363) 10.946 32.294 ( -3.184 7.684 4.932) 9.670 32.585 ( 0.098 6.652 -8.307) 10.642 33.753 ( -16.567 4.971 -8.308) 19.189 33.854 ( -2.763 -4.229 11.013) 12.116 ======================= Grid point 213 (105/126) ======================= q-point: ( 0.25 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 17.348 19.720 8.497) 27.605 3.419 ( 14.651 18.565 -3.550) 23.915 3.591 ( 18.205 33.654 7.839) 39.057 3.868 ( 10.379 15.494 -12.546) 22.477 4.425 ( 11.365 11.988 -1.910) 16.629 4.666 ( 8.270 -2.865 -2.600) 9.131 4.955 ( 4.988 13.772 3.331) 15.022 5.186 ( -1.529 -2.700 5.305) 6.146 5.235 ( -6.394 7.366 -2.676) 10.115 5.473 ( 4.070 -9.608 11.314) 15.391 5.777 ( 4.435 0.297 -1.732) 4.770 5.857 ( 0.640 1.174 -7.445) 7.564 6.016 ( -9.500 -3.844 12.556) 16.208 6.266 ( 3.520 3.269 -4.740) 6.749 6.571 ( 0.091 6.838 -8.904) 11.227 6.648 ( -3.809 -3.090 3.223) 5.869 6.767 ( 3.695 9.131 4.607) 10.875 7.011 ( 5.597 -1.936 -5.583) 8.139 7.180 ( 2.343 -10.034 -2.347) 10.568 7.328 ( 6.350 -14.371 -0.835) 15.733 7.679 ( 10.699 -2.061 -14.473) 18.115 7.765 ( -1.239 -4.029 -4.208) 5.956 8.079 ( 5.016 -8.291 4.027) 10.493 8.316 ( 7.310 -11.533 4.998) 14.541 8.583 ( -0.626 -7.283 -0.694) 7.342 8.644 ( -0.819 -6.724 -0.649) 6.804 9.104 ( -0.176 2.091 0.742) 2.225 9.375 ( -4.750 -3.865 9.141) 11.003 9.492 ( -7.822 -7.706 4.742) 11.960 9.657 ( 0.161 1.209 12.485) 12.544 9.806 ( -0.696 -0.459 2.340) 2.484 9.927 ( 1.605 1.529 -11.049) 11.270 10.191 ( -0.456 -6.482 -10.023) 11.945 10.266 ( 3.926 -0.035 5.511) 6.766 10.563 ( -10.107 0.415 2.782) 10.491 10.702 ( -2.885 1.961 -3.921) 5.248 10.836 ( -4.880 -9.851 4.968) 12.064 11.160 ( -0.464 -2.047 3.692) 4.247 11.235 ( -10.854 -3.080 1.682) 11.407 11.686 ( -4.114 -13.039 -11.083) 17.600 12.174 ( 2.649 0.945 -0.552) 2.866 12.529 ( -0.442 1.571 1.279) 2.073 12.843 ( 1.947 8.347 0.498) 8.585 13.175 ( -2.268 7.481 -0.091) 7.818 13.516 ( -1.736 1.921 2.489) 3.592 13.796 ( -5.439 -4.946 -6.307) 9.686 14.794 ( 1.289 5.369 -1.570) 5.741 14.867 ( -3.147 5.740 3.199) 7.286 15.258 ( 1.472 1.396 0.966) 2.247 15.430 ( -5.228 0.815 0.946) 5.375 15.600 ( 5.410 2.211 -1.148) 5.956 15.799 ( 3.593 -0.580 4.449) 5.748 16.150 ( -3.778 -0.809 -0.367) 3.881 16.361 ( -0.658 -2.020 -4.437) 4.919 17.406 ( -0.775 -1.566 1.223) 2.133 17.448 ( -0.474 -2.572 0.709) 2.710 18.005 ( 0.855 -5.043 -2.356) 5.632 18.008 ( 1.180 -3.000 -0.851) 3.334 18.603 ( -3.282 2.827 -2.321) 4.914 18.683 ( -1.280 -1.197 4.042) 4.405 19.020 ( -1.948 0.670 -0.007) 2.060 19.123 ( -2.855 -3.107 -0.453) 4.244 26.290 ( 2.350 3.231 0.626) 4.044 26.565 ( -2.232 -1.795 -0.410) 2.893 26.813 ( 6.817 -3.178 -0.198) 7.524 26.982 ( 4.921 -4.173 -1.146) 6.554 28.692 ( 1.208 5.561 0.284) 5.697 28.773 ( 1.294 5.533 -1.774) 5.953 29.193 ( 8.615 -3.371 1.783) 9.421 29.462 ( 8.273 -7.927 -1.759) 11.592 31.352 ( -0.915 5.251 -2.635) 5.946 31.415 ( -2.629 4.432 2.095) 5.563 31.738 ( 2.207 7.943 3.176) 8.835 32.140 ( -6.230 0.476 8.378) 10.451 32.462 ( 9.216 4.084 -8.200) 12.995 32.613 ( 4.667 6.859 -2.711) 8.728 33.370 ( -18.310 9.721 -4.704) 21.258 33.714 ( -9.973 -6.305 7.875) 14.185 ======================= Grid point 214 (106/126) ======================= q-point: ( 0.38 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 12.674 19.317 12.142) 26.100 3.694 ( 9.612 20.995 -7.267) 24.207 3.925 ( 12.771 24.581 12.137) 30.243 4.107 ( 12.122 9.950 -12.910) 20.313 4.552 ( -0.267 9.778 0.262) 9.785 4.765 ( 1.661 4.554 0.806) 4.914 4.990 ( -2.989 13.356 -7.129) 15.432 5.031 ( -8.466 4.869 -7.036) 12.037 5.355 ( 14.762 4.000 2.021) 15.427 5.596 ( 4.587 -4.125 8.048) 10.140 5.774 ( -5.797 2.430 11.366) 12.989 5.877 ( 0.629 -6.907 -7.113) 9.934 5.986 ( 9.030 6.771 -5.854) 12.714 6.218 ( -6.447 11.222 4.875) 13.830 6.509 ( -3.797 -6.951 0.093) 7.921 6.579 ( -2.635 -1.854 0.405) 3.247 6.889 ( 6.360 -5.125 0.942) 8.222 7.115 ( 1.996 -12.663 -4.845) 13.705 7.219 ( 2.443 -3.739 -0.020) 4.467 7.403 ( -2.262 -11.188 2.894) 11.775 7.802 ( 5.607 -0.801 -5.641) 7.993 7.858 ( 5.222 -4.153 -8.994) 11.199 8.196 ( 5.380 -10.597 3.498) 12.388 8.480 ( 0.410 -7.693 -4.561) 8.953 8.534 ( 5.513 -12.969 0.902) 14.120 8.727 ( 2.907 -8.583 4.124) 9.956 9.116 ( 1.582 -0.240 -1.405) 2.129 9.260 ( -5.082 -6.405 1.748) 8.361 9.344 ( -2.360 -0.788 5.653) 6.177 9.682 ( -1.025 -0.614 13.677) 13.729 9.798 ( 1.300 1.096 5.627) 5.878 9.988 ( 4.133 -0.609 -9.290) 10.186 10.189 ( 1.071 -3.847 -7.757) 8.725 10.343 ( -1.483 2.169 2.002) 3.303 10.402 ( -0.418 -0.212 9.922) 9.933 10.610 ( -4.132 0.734 -7.178) 8.315 10.730 ( -8.071 -7.691 7.128) 13.233 10.900 ( -12.994 0.830 -4.105) 13.652 11.231 ( 2.601 -3.235 0.141) 4.153 11.549 ( -7.491 -6.317 -9.215) 13.451 12.269 ( 6.060 0.751 -3.567) 7.072 12.460 ( -5.665 1.194 4.011) 7.043 12.912 ( 3.515 7.111 1.653) 8.103 13.097 ( -4.568 7.522 -0.313) 8.806 13.487 ( -1.039 -0.371 4.064) 4.211 13.661 ( -5.530 -3.520 -4.763) 8.103 14.823 ( 1.754 4.204 -0.608) 4.596 14.873 ( 2.710 5.701 0.684) 6.350 15.209 ( -4.079 5.603 -0.175) 6.932 15.289 ( -7.220 4.575 0.219) 8.550 15.786 ( 10.103 -3.043 1.471) 10.653 15.913 ( 5.958 -0.906 5.973) 8.485 16.063 ( -4.063 -0.948 -2.238) 4.734 16.320 ( -3.200 -2.382 -5.865) 7.093 17.392 ( -0.257 -0.413 1.303) 1.391 17.429 ( -1.164 -1.567 0.692) 2.071 18.025 ( 0.597 -4.080 -1.477) 4.379 18.025 ( 0.594 -3.937 -0.954) 4.094 18.580 ( 0.800 1.203 -0.263) 1.468 18.657 ( -1.291 -0.158 1.718) 2.155 18.994 ( -0.242 -1.147 -1.206) 1.682 19.056 ( -3.370 -3.021 0.712) 4.582 26.356 ( 3.328 2.955 1.843) 4.817 26.514 ( -2.363 0.047 -1.393) 2.744 26.932 ( 4.503 -3.703 0.703) 5.872 27.051 ( 1.401 -5.476 -1.641) 5.886 28.719 ( 1.203 5.969 1.115) 6.190 28.790 ( 0.280 5.732 -2.502) 6.261 29.378 ( 8.059 -5.095 1.956) 9.734 29.570 ( 1.462 -8.038 -0.352) 8.177 31.339 ( -1.936 4.766 2.287) 5.629 31.366 ( 0.020 5.927 -5.082) 7.808 31.824 ( 5.385 7.269 1.541) 9.177 32.018 ( -5.160 2.955 5.498) 8.099 32.567 ( 3.448 12.032 -3.655) 13.039 32.823 ( 10.388 2.833 -6.648) 12.654 33.023 ( -11.769 8.043 2.999) 14.567 33.467 ( -12.871 -7.138 3.958) 15.240 ======================= Grid point 215 (107/126) ======================= q-point: (-0.50 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -2.425 19.674 16.986) 26.105 3.829 ( 3.805 22.004 -13.394) 26.039 4.052 ( -4.290 16.469 11.209) 20.378 4.328 ( 7.047 14.853 -14.605) 21.990 4.520 ( 2.011 -2.081 8.140) 8.639 4.737 ( -6.908 0.284 -8.205) 10.730 4.803 ( -4.148 24.804 6.845) 26.064 5.045 ( 3.812 16.961 -14.448) 22.604 5.579 ( -1.250 -7.532 6.670) 10.139 5.637 ( -1.547 -0.172 4.225) 4.503 5.693 ( 5.672 3.429 -1.988) 6.919 5.925 ( 2.112 -4.288 -8.530) 9.778 6.055 ( -6.120 10.438 6.693) 13.828 6.218 ( 8.061 10.227 -6.751) 14.668 6.455 ( 1.422 -6.333 2.324) 6.895 6.537 ( -0.801 -6.216 -4.765) 7.873 6.968 ( -2.103 -15.891 7.618) 17.748 7.096 ( -0.921 -11.753 -3.940) 12.430 7.261 ( -5.695 -4.701 7.359) 10.425 7.336 ( 4.010 -5.752 -0.446) 7.026 7.856 ( -3.405 -2.225 0.032) 4.067 7.876 ( -3.250 -1.350 -1.390) 3.784 8.284 ( 2.370 -12.675 4.681) 13.718 8.409 ( -2.603 -12.393 -7.092) 14.514 8.687 ( -4.337 -9.536 2.272) 10.720 8.732 ( 8.404 -7.753 -1.757) 11.568 9.121 ( -2.958 -1.282 1.428) 3.526 9.198 ( -0.153 -5.103 -4.413) 6.748 9.422 ( 6.572 -0.709 11.188) 12.995 9.616 ( -3.038 0.009 -6.240) 6.941 9.861 ( 2.108 -0.555 12.414) 12.604 10.039 ( -0.429 -2.945 -0.887) 3.106 10.261 ( 3.090 1.810 -4.433) 5.699 10.270 ( -2.353 1.726 -4.707) 5.538 10.412 ( -2.923 -4.530 12.821) 13.909 10.511 ( -7.224 -1.603 9.180) 11.791 10.603 ( 7.600 -0.668 -5.373) 9.332 10.814 ( 3.744 -2.129 -16.479) 17.032 11.286 ( 2.133 -1.984 4.163) 5.081 11.415 ( -3.882 -2.961 -8.964) 10.208 12.321 ( -6.372 0.211 4.512) 7.810 12.411 ( 6.759 0.462 -4.562) 8.168 12.950 ( -2.150 7.955 6.020) 10.205 13.032 ( 0.938 7.280 -2.334) 7.702 13.475 ( -0.049 -2.445 6.084) 6.558 13.596 ( -0.515 -1.881 -5.837) 6.155 14.877 ( 0.025 4.551 0.721) 4.608 14.883 ( -0.841 4.896 0.108) 4.969 15.159 ( -0.590 6.372 1.564) 6.588 15.196 ( 1.088 5.806 -2.024) 6.244 15.873 ( -4.642 -0.945 7.204) 8.622 16.023 ( 3.845 0.184 -4.494) 5.917 16.065 ( 5.672 -6.447 5.013) 9.943 16.230 ( -4.414 -0.611 -9.173) 10.198 17.397 ( -0.007 -1.026 1.625) 1.922 17.412 ( 0.293 -0.645 -0.138) 0.722 18.018 ( -0.923 -3.299 0.463) 3.456 18.036 ( 0.043 -4.581 -1.243) 4.746 18.617 ( 1.022 0.013 0.364) 1.085 18.631 ( 0.128 0.322 -0.861) 0.928 18.992 ( -2.251 -1.720 1.052) 3.022 19.015 ( 2.046 -2.996 -1.149) 3.805 26.421 ( 2.646 2.419 2.252) 4.234 26.464 ( -2.420 0.987 -2.036) 3.313 26.999 ( 1.218 -3.971 1.963) 4.594 27.044 ( -1.490 -5.450 -2.384) 6.132 28.740 ( 0.723 6.259 1.605) 6.502 28.784 ( -0.804 5.593 -2.887) 6.345 29.475 ( -2.046 -6.696 6.465) 9.530 29.562 ( 0.875 -5.710 -2.527) 6.305 31.295 ( -1.414 5.161 2.685) 5.988 31.394 ( 1.961 5.715 -6.817) 9.109 31.861 ( -3.566 4.114 8.017) 9.691 32.023 ( 7.202 6.683 -8.050) 12.702 32.635 ( -0.370 12.402 4.599) 13.232 32.713 ( -6.799 12.924 -3.301) 14.972 33.174 ( 11.823 -3.732 2.161) 12.585 33.210 ( -7.476 -6.324 -1.190) 9.864 ======================= Grid point 216 (108/126) ======================= q-point: (-0.38 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -14.023 22.488 12.315) 29.223 3.712 ( -13.880 15.813 5.488) 21.745 3.931 ( -5.754 22.718 -7.208) 24.519 4.228 ( -15.011 19.629 -14.946) 28.879 4.576 ( -1.551 12.438 2.332) 12.749 4.649 ( 1.301 2.494 1.636) 3.254 4.845 ( 5.306 12.035 5.560) 14.279 5.113 ( 2.313 2.416 -4.883) 5.919 5.451 ( -6.584 -4.515 -6.043) 10.012 5.644 ( -0.285 -1.215 7.322) 7.427 5.734 ( -2.196 -1.804 -4.002) 4.909 5.876 ( -3.413 -0.050 -0.116) 3.416 6.078 ( 5.641 1.465 -8.194) 10.055 6.274 ( 0.003 12.557 -2.141) 12.738 6.488 ( -2.889 -0.704 0.441) 3.006 6.642 ( 9.458 -0.571 -3.227) 10.009 6.853 ( -4.615 -13.144 4.834) 14.745 7.017 ( -6.853 -7.915 3.778) 11.130 7.186 ( -1.210 -1.346 4.594) 4.937 7.379 ( -3.595 -10.790 4.467) 12.219 7.709 ( -8.166 -0.432 0.561) 8.196 7.736 ( -6.737 -3.881 2.692) 8.228 8.259 ( -4.789 -14.069 -0.431) 14.868 8.424 ( 3.111 -8.633 -1.648) 9.323 8.576 ( -5.344 -11.269 -1.981) 12.628 8.791 ( -4.207 -4.018 -2.630) 6.384 9.099 ( 0.285 -1.933 0.468) 2.009 9.235 ( 7.455 -8.597 1.060) 11.428 9.524 ( 2.078 0.781 11.736) 11.944 9.612 ( 1.998 0.383 -9.131) 9.355 9.817 ( -5.025 -0.895 7.058) 8.710 10.022 ( -0.623 -1.636 0.887) 1.962 10.148 ( -4.933 -0.590 -10.286) 11.423 10.315 ( -0.292 -3.364 10.229) 10.772 10.419 ( 5.094 -2.207 0.253) 5.558 10.496 ( 4.132 1.494 5.038) 6.685 10.871 ( 9.795 -3.373 -8.627) 13.482 10.986 ( 14.197 -6.911 -7.377) 17.428 11.281 ( -1.015 1.431 -4.092) 4.452 11.429 ( 3.840 -4.274 0.347) 5.757 12.220 ( -2.873 -0.141 1.220) 3.125 12.529 ( 3.731 0.617 -3.062) 4.866 12.862 ( -4.791 7.275 6.320) 10.762 13.101 ( 4.060 8.222 -0.377) 9.178 13.489 ( 1.081 -1.622 4.927) 5.299 13.628 ( 3.452 -2.200 -3.032) 5.094 14.786 ( -4.025 4.957 2.441) 6.836 14.889 ( -0.870 5.930 -0.637) 6.027 15.209 ( 4.996 4.993 -0.028) 7.063 15.300 ( 6.692 4.604 -0.761) 8.158 15.715 ( -9.006 1.632 6.437) 11.189 16.008 ( -5.383 -8.778 -3.559) 10.895 16.147 ( 2.322 3.510 -4.320) 6.031 16.234 ( 4.270 -2.678 -1.051) 5.149 17.394 ( 0.116 -1.791 1.161) 2.138 17.436 ( 1.351 -1.638 0.105) 2.126 17.991 ( -1.438 -3.341 1.065) 3.790 18.027 ( -0.825 -4.409 -0.627) 4.530 18.589 ( -1.343 1.184 -1.004) 2.052 18.691 ( 3.450 -1.132 -1.436) 3.905 18.975 ( 0.893 0.353 0.555) 1.110 19.068 ( 2.612 -3.753 -0.459) 4.596 26.403 ( -3.197 1.388 -2.704) 4.411 26.475 ( 2.437 1.410 2.442) 3.727 26.944 ( -5.136 -4.493 -0.200) 6.827 27.028 ( -1.291 -4.235 0.300) 4.438 28.747 ( -0.459 6.103 0.806) 6.173 28.757 ( -1.254 5.433 -1.831) 5.869 29.340 ( -8.514 -4.016 5.209) 10.759 29.565 ( -2.585 -6.732 0.170) 7.213 31.289 ( 0.794 4.774 0.762) 4.899 31.437 ( 2.083 4.926 -4.714) 7.129 31.792 ( -2.235 5.702 2.767) 6.720 32.186 ( 6.558 4.343 -9.107) 12.034 32.482 ( -7.798 9.042 4.917) 12.912 32.680 ( -3.796 9.814 5.564) 11.903 33.108 ( 3.489 -1.149 -4.113) 5.515 33.507 ( 15.668 -3.343 0.091) 16.021 ======================= Grid point 217 (109/126) ======================= q-point: (-0.25 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -17.128 24.662 11.208) 32.050 3.396 ( -15.385 21.296 4.964) 26.737 3.686 ( -16.652 28.863 -1.847) 33.374 3.895 ( -14.051 19.278 -17.738) 29.728 4.447 ( -9.534 8.802 -2.984) 13.314 4.599 ( -8.497 -1.279 2.947) 9.084 4.952 ( 3.693 3.932 2.289) 5.860 5.160 ( 3.976 -12.372 5.078) 13.952 5.404 ( 1.724 8.900 -11.492) 14.637 5.577 ( -4.080 2.032 5.064) 6.813 5.699 ( -1.708 4.331 3.148) 5.620 5.776 ( -5.199 -8.874 -2.951) 10.699 6.205 ( -5.372 17.549 8.289) 20.138 6.232 ( 2.825 4.715 -4.558) 7.141 6.406 ( -0.525 -0.656 -7.253) 7.302 6.716 ( -1.651 -3.769 -1.123) 4.266 6.882 ( 1.453 -2.371 5.336) 6.017 6.906 ( -0.501 -4.498 -5.848) 7.395 7.158 ( -0.851 -1.097 1.846) 2.310 7.220 ( -6.170 -15.367 8.724) 18.717 7.539 ( -7.094 -1.486 -3.981) 8.269 7.691 ( 0.088 -3.255 4.242) 5.348 8.081 ( -11.361 -9.759 1.953) 15.104 8.434 ( -2.495 -6.155 -4.731) 8.154 8.568 ( 4.393 -12.562 0.212) 13.310 8.677 ( -3.173 -4.604 -3.617) 6.659 9.118 ( 1.381 1.903 -0.151) 2.356 9.459 ( 10.294 -11.883 3.999) 16.222 9.513 ( -2.938 4.567 9.710) 11.126 9.648 ( 1.737 -0.850 -1.216) 2.285 9.744 ( -1.740 -1.642 5.067) 5.603 9.985 ( -2.215 -1.820 -5.550) 6.247 10.097 ( 0.009 -3.877 -3.877) 5.483 10.326 ( 1.113 -1.234 -0.492) 1.733 10.584 ( 2.950 3.464 5.882) 7.436 10.595 ( 10.392 -5.776 0.577) 11.903 10.986 ( 3.235 -9.305 -9.029) 13.363 11.175 ( 2.159 -7.556 2.292) 8.186 11.408 ( 10.673 3.782 -11.126) 15.875 11.503 ( 3.379 -11.716 3.110) 12.584 12.198 ( 0.490 0.527 -2.845) 2.935 12.543 ( -2.922 -1.419 0.205) 3.255 12.788 ( -0.992 9.701 5.744) 11.318 13.174 ( 2.343 8.320 0.103) 8.645 13.518 ( 1.579 0.984 3.430) 3.902 13.706 ( 2.551 -3.063 0.642) 4.037 14.734 ( -1.138 5.796 3.616) 6.926 14.906 ( 3.625 5.527 -0.280) 6.615 15.297 ( 1.182 2.666 -2.815) 4.053 15.417 ( 1.453 3.151 2.180) 4.098 15.560 ( -1.776 3.315 2.277) 4.397 15.883 ( -5.130 -5.644 -2.365) 7.985 16.201 ( 2.730 2.499 -4.954) 6.184 16.302 ( 1.727 -3.842 0.605) 4.256 17.397 ( -0.003 -3.032 2.028) 3.648 17.461 ( 0.820 -2.736 -0.340) 2.877 17.968 ( -0.618 -2.978 0.912) 3.175 18.005 ( -1.066 -4.511 -0.540) 4.667 18.581 ( 0.865 1.562 0.227) 1.800 18.762 ( 3.066 -1.699 -3.399) 4.883 19.031 ( 4.043 2.476 -1.032) 4.852 19.113 ( 1.596 -3.958 0.429) 4.289 26.327 ( -3.722 1.823 -2.982) 5.106 26.533 ( 3.178 -0.048 2.779) 4.222 26.812 ( -7.334 -3.456 -0.109) 8.108 26.964 ( -4.551 -3.329 0.452) 5.657 28.709 ( -2.162 5.043 -1.557) 5.704 28.745 ( -0.661 5.941 1.060) 6.071 29.160 ( -7.907 -2.144 4.744) 9.467 29.442 ( -8.415 -5.913 -0.005) 10.284 31.325 ( 2.378 4.599 -0.536) 5.205 31.473 ( 1.209 4.076 -2.301) 4.835 31.781 ( 1.273 5.548 -1.389) 5.859 32.219 ( -5.576 0.215 6.569) 8.619 32.358 ( -2.104 8.544 -2.937) 9.276 32.611 ( -0.916 4.511 -3.714) 5.915 33.299 ( 12.649 4.938 2.842) 13.873 33.822 ( 13.457 -4.245 -2.762) 14.378 ======================= Grid point 218 (110/126) ======================= q-point: (-0.12 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -11.461 24.832 14.033) 30.740 3.083 ( -13.200 25.973 -5.722) 29.692 3.343 ( -13.539 30.812 7.977) 34.587 3.642 ( -8.569 22.790 -20.327) 31.718 4.252 ( -6.627 0.474 -5.558) 8.662 4.328 ( -14.241 -1.569 4.356) 14.975 5.030 ( 3.838 -2.933 4.229) 6.420 5.266 ( 0.168 -12.987 -0.376) 12.993 5.347 ( -2.527 10.521 15.259) 18.706 5.574 ( 4.410 5.217 -6.483) 9.418 5.675 ( -4.415 -2.844 3.151) 6.124 5.761 ( 6.247 9.941 -9.786) 15.284 5.979 ( -10.869 15.816 8.469) 20.977 6.166 ( -6.284 2.440 -0.416) 6.754 6.542 ( 6.765 -4.685 -8.367) 11.736 6.659 ( -3.843 6.777 0.300) 7.797 6.841 ( 1.586 -10.744 -1.138) 10.920 6.932 ( -0.349 -9.795 -2.632) 10.149 7.130 ( -1.161 -3.583 4.695) 6.019 7.295 ( 9.522 -3.447 -2.694) 10.479 7.396 ( -6.127 -2.474 -8.929) 11.108 7.658 ( -6.234 -4.345 4.226) 8.695 7.886 ( -3.253 -4.187 12.111) 13.221 8.347 ( -4.875 -5.388 -9.425) 11.901 8.684 ( 2.320 -7.121 0.849) 7.538 8.696 ( 6.738 -6.091 -2.598) 9.447 9.119 ( -1.852 6.181 6.348) 9.051 9.409 ( -5.164 4.236 -2.242) 7.046 9.623 ( 3.566 -11.255 9.269) 15.010 9.698 ( 2.616 -4.081 7.351) 8.805 9.740 ( 1.309 -4.242 2.052) 4.890 9.959 ( 0.330 -3.925 -8.950) 9.779 10.123 ( 2.174 -3.639 -0.092) 4.240 10.336 ( -0.787 0.988 -5.328) 5.475 10.619 ( 0.826 3.145 6.648) 7.400 10.772 ( 4.054 -3.880 -4.098) 6.949 11.070 ( 7.008 -9.544 -3.817) 12.441 11.228 ( 2.120 -9.913 0.218) 10.140 11.465 ( -2.043 -8.576 7.554) 11.610 11.603 ( 2.292 -9.808 -10.613) 14.632 12.240 ( 3.795 0.648 -4.881) 6.216 12.421 ( -7.473 -3.688 3.506) 9.041 12.857 ( 7.035 11.484 3.121) 13.825 13.174 ( -2.971 8.823 0.537) 9.325 13.559 ( 2.054 1.878 3.998) 4.871 13.711 ( -1.226 -1.011 -2.044) 2.589 14.743 ( 2.100 7.449 5.042) 9.237 15.020 ( 4.096 4.769 -0.216) 6.291 15.219 ( -4.169 0.167 -2.586) 4.909 15.398 ( -1.392 1.151 1.834) 2.574 15.639 ( 4.361 3.553 1.533) 5.831 15.805 ( -2.240 -2.485 -1.479) 3.658 16.257 ( 2.558 1.584 -4.107) 5.091 16.311 ( -0.519 -4.149 0.354) 4.197 17.399 ( 0.262 -3.414 2.567) 4.279 17.464 ( -0.463 -3.672 -0.752) 3.777 17.964 ( 0.116 -2.557 0.350) 2.583 17.988 ( -0.431 -4.698 -1.031) 4.829 18.628 ( 3.153 0.730 3.178) 4.536 18.811 ( 1.431 -1.970 -5.033) 5.591 19.104 ( 1.277 0.545 1.050) 1.741 19.152 ( 2.974 -1.003 -3.610) 4.784 26.273 ( -0.332 2.449 -0.569) 2.536 26.596 ( -2.239 -4.362 -1.499) 5.127 26.647 ( -3.284 1.276 2.678) 4.426 26.857 ( -5.052 -1.797 0.057) 5.362 28.672 ( -1.021 4.869 -0.398) 4.991 28.721 ( -1.659 5.603 0.322) 5.853 29.037 ( -3.310 -1.174 5.350) 6.400 29.253 ( -8.196 -3.708 -2.685) 9.387 31.378 ( 2.383 5.109 -0.032) 5.637 31.480 ( -0.602 4.595 -1.621) 4.909 31.846 ( 4.792 2.539 -3.072) 6.232 32.030 ( -9.711 0.910 10.238) 14.141 32.367 ( 1.352 6.822 1.420) 7.098 32.609 ( -0.147 1.974 -11.631) 11.799 33.585 ( 13.087 3.826 8.817) 16.238 34.034 ( 5.554 -4.492 -6.959) 9.973 ======================= Grid point 219 (111/126) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -0.037 26.777 10.772) 28.863 3.281 ( -1.293 17.466 -10.962) 20.661 3.842 ( -1.039 30.725 9.728) 32.245 4.038 ( 2.496 4.423 -4.020) 6.477 4.105 ( -3.483 5.104 -4.885) 7.877 4.175 ( 2.009 11.995 -8.448) 14.808 4.854 ( 0.227 -13.778 4.140) 14.388 4.977 ( 1.736 -16.088 -8.036) 18.067 5.269 ( -3.961 -6.632 7.800) 10.978 5.397 ( 1.454 -12.638 -4.917) 13.639 5.780 ( 3.850 0.650 3.471) 5.224 5.844 ( 0.502 -2.692 -1.887) 3.326 6.312 ( -3.736 -1.893 17.985) 18.466 6.358 ( -10.670 29.338 11.948) 33.427 6.513 ( 9.075 3.563 -4.842) 10.886 6.672 ( -0.589 -5.611 1.571) 5.856 6.736 ( 1.902 -7.020 0.081) 7.273 6.837 ( 1.989 2.754 -19.594) 19.886 7.065 ( -7.429 -1.735 3.889) 8.563 7.191 ( 7.660 -2.488 -7.831) 11.233 7.457 ( -3.011 2.367 3.214) 5.000 7.575 ( 4.157 6.315 -8.210) 11.161 7.935 ( 3.222 3.944 13.085) 14.041 8.203 ( -3.995 -0.218 -12.690) 13.306 8.500 ( -2.477 -12.765 6.324) 14.460 8.654 ( 1.727 -10.902 -8.250) 13.781 9.189 ( -2.086 4.172 13.607) 14.384 9.335 ( 0.929 -2.921 -1.085) 3.252 9.524 ( -2.750 -0.123 8.521) 8.954 9.652 ( -1.345 -4.619 -2.586) 5.462 9.737 ( 2.992 0.682 5.721) 6.492 9.910 ( 2.539 -2.638 -11.871) 12.423 10.158 ( 2.254 0.217 10.679) 10.916 10.297 ( -4.084 0.408 -1.640) 4.420 10.628 ( 0.927 -4.164 0.499) 4.295 10.712 ( 1.165 -6.730 -7.085) 9.841 10.994 ( -5.200 -6.302 2.988) 8.700 11.058 ( 4.766 -4.754 -3.099) 7.411 11.260 ( -3.755 -7.197 7.420) 10.998 11.446 ( 1.992 -8.418 -10.728) 13.781 12.227 ( -4.211 -0.474 3.824) 5.708 12.323 ( 4.461 -2.332 -5.878) 7.739 13.196 ( 0.738 9.784 5.018) 11.021 13.282 ( -0.547 10.428 -3.474) 11.005 13.579 ( 0.621 -1.869 5.266) 5.622 13.709 ( 1.174 -2.717 -8.027) 8.555 14.938 ( 3.967 4.996 8.435) 10.575 15.058 ( -5.866 4.420 -0.689) 7.377 15.202 ( 2.415 -3.095 4.237) 5.776 15.309 ( -3.093 -3.261 -4.028) 6.035 15.701 ( -0.830 2.352 3.678) 4.444 15.805 ( 1.622 -0.580 -5.649) 5.906 16.270 ( -1.048 1.760 2.334) 3.106 16.331 ( 1.432 0.948 -3.475) 3.876 17.368 ( 0.563 -1.272 1.196) 1.835 17.392 ( -0.315 -2.171 -1.056) 2.435 17.917 ( 0.173 -2.341 0.136) 2.351 17.928 ( 0.281 -1.852 -0.872) 2.066 18.674 ( 0.926 -0.511 4.635) 4.754 18.763 ( -1.335 -2.801 -3.930) 5.007 19.102 ( -0.175 0.702 2.808) 2.899 19.188 ( -0.130 -1.049 -5.795) 5.890 26.364 ( 4.024 1.158 2.036) 4.657 26.413 ( -5.093 -0.011 -2.918) 5.869 26.712 ( 2.450 -0.289 2.422) 3.457 26.750 ( -1.263 -1.096 -1.476) 2.231 28.766 ( 1.409 4.326 0.820) 4.623 28.786 ( -1.191 5.039 -1.098) 5.293 28.982 ( 0.300 -2.272 5.627) 6.076 29.083 ( -0.128 -4.450 -4.436) 6.285 31.510 ( 1.074 4.479 2.074) 5.052 31.552 ( -1.289 4.852 -1.911) 5.372 31.852 ( -2.014 -0.340 8.352) 8.598 31.980 ( 2.039 -2.909 -4.018) 5.363 32.486 ( -1.505 6.716 3.044) 7.526 32.637 ( 1.392 1.509 -11.962) 12.137 33.826 ( 2.979 2.143 10.245) 10.882 33.986 ( -3.258 -2.192 -6.107) 7.261 ======================= Grid point 220 (112/126) ======================= q-point: ( 0.12 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 10.399 24.920 6.293) 27.726 3.454 ( 13.811 16.907 -2.852) 22.017 3.919 ( 8.779 28.214 6.670) 30.291 4.063 ( 1.848 12.153 -4.319) 13.029 4.215 ( 12.166 0.699 -5.770) 13.483 4.362 ( 13.356 6.298 -4.964) 15.578 4.867 ( 0.725 -14.968 2.043) 15.124 5.000 ( 1.538 -10.557 -7.944) 13.302 5.212 ( -0.157 -6.164 5.133) 8.023 5.495 ( 5.186 -3.689 0.507) 6.385 5.823 ( 0.170 -2.610 -4.503) 5.208 5.914 ( 3.716 -0.208 0.632) 3.775 6.170 ( -3.906 14.208 7.115) 16.363 6.210 ( -5.304 4.784 15.930) 17.459 6.625 ( -4.879 -7.147 2.563) 9.025 6.655 ( 0.457 -1.400 1.147) 1.867 6.755 ( 4.365 -8.913 -5.835) 11.513 6.933 ( 2.473 13.751 -2.814) 14.252 7.011 ( 6.683 -2.987 -8.995) 11.597 7.225 ( -4.942 -0.454 0.222) 4.968 7.498 ( 7.750 4.074 -4.017) 9.633 7.679 ( 4.404 1.928 -8.390) 9.669 7.987 ( 0.725 2.522 11.841) 12.128 8.111 ( -3.498 -1.839 -8.175) 9.080 8.417 ( -3.185 -12.769 3.924) 13.732 8.606 ( -5.000 -8.794 -4.533) 11.086 9.161 ( -1.444 1.817 5.930) 6.368 9.341 ( -1.113 -4.581 4.465) 6.493 9.458 ( -3.703 -3.847 10.346) 11.643 9.624 ( -1.315 -6.036 4.282) 7.517 9.808 ( 2.859 2.886 0.380) 4.080 9.968 ( 2.923 2.785 -12.358) 13.000 10.175 ( -1.963 -0.404 5.823) 6.158 10.209 ( -1.583 0.018 1.063) 1.907 10.642 ( -0.243 -5.029 0.475) 5.057 10.709 ( -1.902 -4.701 -6.550) 8.283 10.851 ( -7.224 -4.200 0.178) 8.358 11.035 ( -2.729 -6.737 3.719) 8.165 11.285 ( 2.996 -6.255 -0.177) 6.938 11.494 ( 1.101 -5.327 -6.277) 8.306 12.175 ( -0.703 1.466 2.080) 2.640 12.430 ( 5.223 -4.530 -4.388) 8.188 13.096 ( -5.697 11.327 1.534) 12.771 13.335 ( 1.362 8.115 -0.461) 8.241 13.575 ( -1.131 -0.810 4.517) 4.727 13.722 ( -0.342 -6.400 -9.027) 11.071 14.934 ( -4.238 4.774 0.256) 6.389 15.004 ( -0.671 3.406 7.960) 8.684 15.189 ( 1.050 -0.523 -0.342) 1.222 15.353 ( 4.374 -5.226 3.178) 7.520 15.669 ( -1.909 4.042 0.217) 4.476 15.802 ( -1.632 -0.551 -3.224) 3.656 16.241 ( -1.736 3.067 2.115) 4.110 16.350 ( 0.321 0.036 -4.027) 4.040 17.374 ( 0.112 -1.515 0.112) 1.524 17.400 ( 0.704 -1.840 -0.191) 1.979 17.921 ( 0.198 -2.474 -0.376) 2.510 17.937 ( 0.682 -2.074 -1.251) 2.517 18.676 ( -0.916 -1.071 3.387) 3.669 18.723 ( -1.993 -0.208 -2.324) 3.068 19.072 ( -2.608 0.131 1.963) 3.266 19.149 ( -2.929 -1.049 -3.673) 4.814 26.337 ( -1.219 2.640 -1.334) 3.199 26.474 ( 4.461 -2.940 2.362) 5.842 26.712 ( 0.969 1.006 -1.010) 1.723 26.820 ( 4.661 -2.286 -0.158) 5.194 28.772 ( 0.619 4.919 -0.564) 4.990 28.830 ( 3.280 5.185 -0.257) 6.141 29.005 ( 2.836 -2.863 3.361) 5.247 29.160 ( 6.412 -5.946 -2.269) 9.034 31.491 ( -2.117 5.274 -0.142) 5.685 31.536 ( -0.522 4.705 0.341) 4.746 31.825 ( -0.150 2.749 5.128) 5.820 32.053 ( 3.007 -8.301 1.035) 8.890 32.470 ( 1.285 9.065 -0.797) 9.190 32.673 ( 2.222 2.680 -9.513) 10.130 33.789 ( -8.107 0.275 5.052) 9.556 33.836 ( -8.691 0.860 -0.513) 8.748 ======================= Grid point 221 (113/126) ======================= q-point: ( 0.25 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 14.932 21.851 7.127) 27.409 3.757 ( 14.570 16.380 -0.306) 21.924 4.100 ( 6.501 9.005 -5.680) 12.475 4.239 ( 12.866 28.597 3.439) 31.546 4.513 ( 15.320 -3.519 -0.979) 15.749 4.634 ( 9.046 5.114 -4.332) 11.258 4.873 ( 0.006 -13.077 -0.828) 13.103 5.080 ( 7.520 -4.356 -7.595) 11.542 5.272 ( 5.268 0.713 3.849) 6.564 5.566 ( 1.547 4.128 0.617) 4.451 5.811 ( -0.786 -2.825 -7.978) 8.500 5.901 ( -3.359 -3.959 7.222) 8.895 6.091 ( -1.384 18.488 10.157) 21.139 6.302 ( 8.360 0.363 -1.154) 8.447 6.484 ( -7.193 -6.016 1.303) 9.468 6.608 ( -3.226 -3.410 -1.024) 4.804 6.827 ( 1.361 -9.940 3.267) 10.551 6.955 ( -2.244 -5.430 -5.040) 7.741 7.126 ( -1.062 4.561 5.454) 7.188 7.228 ( 9.096 4.762 -5.888) 11.835 7.636 ( 4.022 -2.402 -3.551) 5.878 7.751 ( 3.611 2.176 -12.182) 12.891 7.975 ( 0.245 -1.167 2.301) 2.591 8.121 ( 4.957 -7.191 5.311) 10.222 8.410 ( -0.829 -8.126 -2.545) 8.555 8.519 ( 0.265 -7.486 1.701) 7.681 9.114 ( -2.605 -0.712 0.636) 2.774 9.254 ( -7.267 -9.240 2.505) 12.019 9.376 ( -3.195 -1.713 8.223) 8.987 9.615 ( 0.341 -4.608 16.610) 17.241 9.845 ( 0.712 4.174 0.687) 4.289 10.005 ( 0.484 4.475 -10.785) 11.687 10.124 ( -1.332 -0.906 -5.018) 5.270 10.243 ( 3.413 -3.078 6.402) 7.881 10.571 ( -5.215 0.696 -0.124) 5.262 10.670 ( -1.403 -5.741 -2.332) 6.354 10.710 ( -5.864 -1.237 -4.348) 7.404 11.054 ( 3.061 -7.924 0.020) 8.495 11.226 ( -9.130 1.386 3.661) 9.934 11.493 ( -1.279 -6.995 -6.862) 9.882 12.195 ( 2.433 1.781 -1.291) 3.281 12.504 ( 0.852 -4.364 -1.261) 4.621 13.017 ( -1.206 9.542 0.807) 9.651 13.313 ( -3.046 6.238 -0.291) 6.948 13.534 ( -2.728 -0.532 4.737) 5.493 13.671 ( -4.131 -7.033 -7.093) 10.809 14.882 ( -0.666 3.989 -0.490) 4.074 14.951 ( -1.905 2.777 3.464) 4.831 15.280 ( 4.451 1.272 1.191) 4.780 15.413 ( 0.246 -2.122 2.400) 3.213 15.651 ( 1.154 2.900 -0.660) 3.190 15.769 ( 0.119 -1.924 0.920) 2.136 16.194 ( -2.758 4.205 1.936) 5.388 16.340 ( -1.207 -0.643 -4.579) 4.779 17.377 ( 0.160 -1.202 -0.061) 1.215 17.410 ( 0.125 -1.617 0.241) 1.639 17.929 ( 0.706 -2.663 -0.963) 2.919 17.956 ( 0.999 -2.396 -1.405) 2.952 18.641 ( -1.875 0.942 -0.412) 2.139 18.693 ( -0.902 1.758 1.918) 2.754 19.006 ( -3.242 -1.603 0.510) 3.652 19.078 ( -3.566 -1.647 -1.295) 4.136 26.352 ( 2.283 3.149 0.212) 3.896 26.520 ( 0.293 -2.781 0.721) 2.888 26.781 ( 4.637 -0.148 -0.480) 4.664 26.910 ( 3.528 -3.491 -0.513) 4.990 28.799 ( 1.702 5.554 0.055) 5.809 28.882 ( 1.590 5.788 -1.028) 6.089 29.118 ( 7.126 -4.317 2.154) 8.605 29.308 ( 6.666 -8.036 -1.048) 10.493 31.457 ( -0.827 5.698 -1.448) 5.937 31.511 ( -1.834 5.083 0.791) 5.461 31.849 ( 2.241 3.389 2.219) 4.630 32.065 ( -1.722 -6.813 6.029) 9.259 32.574 ( 8.156 7.346 -5.360) 12.215 32.735 ( 4.174 4.403 -6.762) 9.085 33.511 ( -15.461 5.205 -2.318) 16.478 33.641 ( -11.193 -1.638 7.443) 13.542 ======================= Grid point 222 (114/126) ======================= q-point: ( 0.38 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 10.250 15.517 13.171) 22.788 4.056 ( 11.974 17.346 -5.459) 21.773 4.268 ( 10.589 3.612 -10.907) 15.625 4.406 ( 2.229 22.128 12.459) 25.492 4.666 ( -3.926 2.761 -5.371) 7.203 4.741 ( 2.042 4.795 -8.196) 9.713 4.979 ( 11.736 -4.487 0.794) 12.590 5.278 ( 7.616 7.463 -8.135) 13.412 5.399 ( 5.963 -0.005 4.990) 7.776 5.583 ( 0.160 2.649 -0.253) 2.665 5.803 ( -4.932 -0.936 12.170) 13.165 5.828 ( 3.473 0.450 -10.250) 10.832 6.173 ( 7.567 8.677 -1.910) 11.670 6.323 ( -5.593 1.133 1.432) 5.884 6.377 ( -2.562 -2.065 2.646) 4.222 6.590 ( -1.442 -2.899 -0.130) 3.240 6.802 ( -3.031 -12.145 6.754) 14.223 6.841 ( -3.799 -4.298 -8.001) 9.845 7.183 ( 3.698 -1.335 3.216) 5.079 7.289 ( -2.224 -2.121 3.231) 4.459 7.713 ( 3.682 -6.441 -2.079) 7.705 7.840 ( 3.611 0.845 -7.852) 8.684 8.045 ( 5.529 -5.231 -1.646) 7.787 8.233 ( 0.324 -12.310 2.052) 12.484 8.379 ( 3.894 -2.882 -1.369) 5.034 8.581 ( 0.454 -8.145 4.541) 9.336 9.084 ( 0.196 -2.729 -1.075) 2.939 9.124 ( -2.613 -6.201 -2.606) 7.216 9.351 ( 1.032 1.410 11.272) 11.407 9.633 ( 0.529 -4.652 15.918) 16.593 9.842 ( -0.690 3.205 -0.939) 3.410 9.997 ( -0.831 0.755 -5.604) 5.715 10.141 ( 3.659 -0.863 -4.731) 6.043 10.319 ( 3.427 -3.898 6.064) 7.982 10.485 ( -4.246 7.840 6.609) 11.098 10.589 ( -5.269 -2.405 -8.465) 10.256 10.626 ( -2.593 -2.755 -4.850) 6.151 10.942 ( -12.764 2.339 -3.006) 13.320 11.152 ( 3.841 -4.306 1.695) 6.014 11.422 ( -4.658 -6.653 -6.517) 10.413 12.272 ( 4.758 0.184 -3.930) 6.174 12.450 ( -5.532 -2.524 2.451) 6.556 13.041 ( 2.822 6.458 0.939) 7.110 13.223 ( -4.992 4.922 -0.097) 7.011 13.473 ( -2.717 -1.093 5.649) 6.363 13.584 ( -3.003 -3.953 -6.057) 7.831 14.900 ( 2.298 3.731 0.010) 4.382 14.957 ( 1.592 2.890 1.206) 3.512 15.299 ( -1.997 3.675 -0.737) 4.247 15.356 ( -4.878 2.250 0.180) 5.375 15.738 ( 6.156 -1.605 3.601) 7.310 15.836 ( 5.008 -4.791 1.241) 7.040 16.129 ( -3.065 5.246 2.123) 6.436 16.296 ( -2.687 -0.717 -5.998) 6.611 17.381 ( 0.251 -0.604 0.448) 0.793 17.405 ( -0.485 -1.082 0.277) 1.217 17.949 ( 1.036 -2.767 -1.112) 3.156 17.971 ( 0.186 -2.466 -1.051) 2.687 18.620 ( 0.182 2.623 0.341) 2.651 18.679 ( -0.565 2.288 1.156) 2.625 18.950 ( -1.723 -3.082 -0.287) 3.542 19.003 ( -3.299 -2.499 -0.335) 4.152 26.412 ( 2.937 2.807 0.997) 4.184 26.512 ( -0.820 -0.397 -0.227) 0.939 26.873 ( 3.745 -2.152 0.005) 4.319 26.958 ( 0.893 -4.237 -0.649) 4.379 28.836 ( 1.631 6.172 0.782) 6.432 28.902 ( 0.264 5.845 -1.509) 6.042 29.270 ( 6.375 -5.818 2.646) 9.027 29.409 ( 2.468 -8.544 -1.160) 8.969 31.440 ( -1.605 5.623 3.497) 6.813 31.483 ( 0.187 5.910 -4.800) 7.617 31.911 ( 2.657 1.732 3.614) 4.809 32.021 ( -1.090 -2.401 0.577) 2.699 32.753 ( 7.641 7.518 -5.308) 11.962 32.882 ( 10.511 3.472 -3.843) 11.718 33.182 ( -14.917 7.270 -0.227) 16.596 33.375 ( -13.583 -2.457 6.227) 15.143 ======================= Grid point 223 (115/126) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 0.381 14.711 17.043) 22.517 4.200 ( 2.124 12.640 -15.045) 19.765 4.362 ( -7.372 13.935 10.523) 18.955 4.514 ( 0.972 0.731 1.676) 2.071 4.565 ( 7.982 9.197 -11.121) 16.492 4.749 ( 0.076 12.121 -16.886) 20.786 5.146 ( 0.870 8.456 7.100) 11.076 5.306 ( -4.209 5.210 -8.072) 10.489 5.483 ( -0.496 -2.911 7.567) 8.122 5.587 ( 2.119 -1.603 -1.208) 2.919 5.690 ( -5.959 2.643 8.807) 10.957 5.948 ( 5.598 3.471 -10.542) 12.431 6.195 ( -4.649 -1.799 6.536) 8.220 6.342 ( 2.011 -5.192 -8.177) 9.893 6.402 ( 9.762 3.063 3.135) 10.701 6.482 ( -3.889 4.102 -4.845) 7.445 6.684 ( -7.354 -10.587 11.312) 17.150 6.890 ( 4.542 -8.663 -7.903) 12.575 7.216 ( -2.855 -1.063 5.257) 6.076 7.261 ( 3.090 -2.255 1.395) 4.072 7.757 ( -0.648 -8.383 4.613) 9.590 7.821 ( -5.370 -5.023 -1.654) 7.536 8.127 ( -1.862 -3.087 1.726) 3.997 8.192 ( 1.010 -8.795 -3.877) 9.664 8.481 ( -0.042 -8.351 3.660) 9.118 8.581 ( 5.378 -7.370 -6.064) 10.955 9.080 ( -2.627 -2.779 1.322) 4.046 9.098 ( -1.529 -3.982 0.335) 4.279 9.445 ( 6.706 2.237 11.270) 13.304 9.626 ( -0.852 -0.082 -1.139) 1.425 9.833 ( -0.653 -1.825 7.502) 7.749 9.979 ( -0.077 -3.467 -1.408) 3.743 10.267 ( -2.745 0.216 1.039) 2.942 10.307 ( 1.330 1.885 -1.183) 2.593 10.363 ( -1.993 -0.747 5.078) 5.506 10.506 ( -7.884 -0.077 2.824) 8.375 10.635 ( 10.019 3.830 -2.825) 11.091 10.791 ( -0.776 0.434 -14.226) 14.253 11.243 ( 4.522 -2.815 0.676) 5.370 11.333 ( -2.805 -5.414 -8.320) 10.315 12.313 ( -6.369 -0.919 3.768) 7.457 12.385 ( 5.665 -2.831 -3.455) 7.214 13.079 ( -2.628 5.470 5.002) 7.864 13.153 ( 1.719 4.717 -2.539) 5.626 13.439 ( -0.460 -0.910 5.758) 5.847 13.554 ( 0.241 -2.447 -5.672) 6.182 14.955 ( -0.616 3.478 0.787) 3.618 14.964 ( 0.483 3.432 -0.118) 3.468 15.261 ( -1.004 4.127 1.262) 4.431 15.285 ( 0.658 3.364 -1.073) 3.592 15.821 ( -0.274 -2.859 5.747) 6.425 15.913 ( 0.717 -6.254 -1.895) 6.574 16.108 ( 2.206 4.810 3.702) 6.458 16.242 ( -1.510 0.814 -8.497) 8.668 17.382 ( -0.562 -0.551 1.598) 1.782 17.399 ( 0.293 -0.739 -0.271) 0.840 17.961 ( -0.830 -2.460 -0.264) 2.610 17.965 ( 0.080 -2.684 -0.642) 2.761 18.646 ( 1.726 2.794 0.835) 3.388 18.662 ( -0.878 2.681 -0.639) 2.893 18.943 ( 0.661 -3.389 0.164) 3.457 18.952 ( -0.712 -3.306 -0.597) 3.434 26.465 ( 1.925 2.101 1.235) 3.105 26.485 ( -1.742 1.132 -0.731) 2.202 26.930 ( 0.759 -3.128 0.785) 3.313 26.949 ( -0.913 -4.161 -1.136) 4.408 28.863 ( 0.847 6.454 1.285) 6.635 28.893 ( -1.025 5.772 -1.677) 6.097 29.343 ( -0.918 -6.714 5.339) 8.627 29.428 ( 0.579 -7.836 -3.221) 8.492 31.402 ( -1.591 5.806 4.237) 7.362 31.503 ( 1.274 5.149 -4.870) 7.200 31.905 ( -2.102 0.876 6.777) 7.149 32.085 ( 5.870 -0.515 -10.477) 12.021 32.855 ( -6.430 9.934 5.023) 12.855 32.936 ( -0.527 9.939 -3.093) 10.422 33.098 ( -8.442 -2.948 3.421) 9.574 33.157 ( 12.469 -0.589 -2.331) 12.698 ======================= Grid point 224 (116/126) ======================= q-point: (-0.38 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( -9.677 21.700 10.263) 25.882 4.069 ( -13.561 20.188 3.634) 24.590 4.192 ( -5.433 4.669 -12.326) 14.257 4.550 ( 3.168 -3.189 -0.005) 4.495 4.668 ( -7.340 16.964 -10.015) 21.022 4.749 ( 1.610 11.535 -6.803) 13.488 5.030 ( -9.723 -2.528 0.739) 10.074 5.133 ( -11.198 6.047 2.884) 13.049 5.405 ( -4.720 -4.159 1.868) 6.563 5.582 ( -0.260 -3.211 9.448) 9.982 5.671 ( 0.690 1.042 -5.836) 5.968 5.962 ( -1.175 1.515 -0.770) 2.067 6.197 ( 3.661 9.168 -4.564) 10.875 6.334 ( -2.163 -9.397 -1.215) 9.719 6.501 ( 4.848 8.462 -7.830) 12.507 6.534 ( -5.750 -15.916 8.172) 18.792 6.656 ( 11.820 0.392 4.599) 12.689 6.934 ( -1.527 -4.981 -1.939) 5.559 7.169 ( -1.897 -0.834 3.961) 4.471 7.315 ( 0.313 1.619 1.603) 2.300 7.630 ( -8.084 -5.548 1.911) 9.989 7.712 ( -4.972 -2.336 4.513) 7.110 8.033 ( -4.496 -6.953 1.081) 8.350 8.250 ( 2.754 -8.898 -1.079) 9.376 8.419 ( -4.548 -2.451 -3.409) 6.190 8.677 ( -1.395 -7.792 -4.338) 9.026 9.044 ( 1.001 -3.189 2.230) 4.018 9.066 ( 2.647 -7.508 2.682) 8.400 9.566 ( 2.679 3.102 8.790) 9.698 9.633 ( 2.243 2.075 -7.169) 7.793 9.787 ( -3.283 -2.122 7.792) 8.718 10.009 ( 1.903 -1.573 -1.647) 2.968 10.120 ( -4.129 -2.195 -2.313) 5.217 10.277 ( -2.887 1.208 10.360) 10.822 10.379 ( -2.266 -3.162 1.148) 4.056 10.498 ( 6.977 -1.333 2.823) 7.643 10.800 ( 2.252 -2.099 -14.076) 14.409 10.926 ( 12.080 0.288 0.580) 12.098 11.291 ( 1.455 -2.024 -12.149) 12.402 11.359 ( 4.156 -2.158 0.208) 4.688 12.218 ( -2.292 0.366 1.288) 2.654 12.481 ( 2.519 -5.493 -0.642) 6.077 12.999 ( -3.116 7.121 4.545) 9.004 13.235 ( 4.467 4.670 -0.853) 6.518 13.458 ( 2.065 -1.213 6.006) 6.466 13.585 ( 2.522 -2.179 -5.230) 6.202 14.878 ( -3.704 4.423 1.905) 6.075 14.970 ( -0.990 2.507 0.012) 2.695 15.293 ( 3.639 3.733 -0.070) 5.214 15.366 ( 5.395 2.101 -0.723) 5.834 15.734 ( -6.656 0.437 4.027) 7.792 15.864 ( -4.218 -5.987 -2.030) 7.600 16.188 ( 3.688 1.943 3.785) 5.631 16.245 ( 1.642 1.942 -7.733) 8.140 17.368 ( -0.615 -0.830 1.632) 1.932 17.409 ( 0.487 -1.368 -0.017) 1.452 17.935 ( -1.264 -2.224 0.171) 2.564 17.958 ( -0.790 -2.753 0.080) 2.865 18.632 ( -1.053 2.961 -0.601) 3.200 18.700 ( 2.553 1.823 -0.767) 3.230 18.956 ( 2.150 -2.535 -0.967) 3.462 18.994 ( 2.857 -3.321 0.534) 4.413 26.436 ( -2.879 1.876 -1.220) 3.646 26.496 ( 1.063 0.656 1.328) 1.823 26.876 ( -4.078 -2.460 -0.199) 4.766 26.949 ( -0.891 -3.864 0.161) 3.968 28.855 ( -2.042 5.335 -1.001) 5.799 28.875 ( -0.193 6.497 0.989) 6.575 29.252 ( -6.537 -4.863 3.833) 9.004 29.416 ( -2.692 -8.446 -1.389) 8.972 31.386 ( 0.151 5.294 2.775) 5.979 31.526 ( 1.011 3.700 -2.074) 4.360 31.870 ( -1.070 3.180 1.851) 3.832 32.196 ( 3.655 -3.331 -11.240) 12.279 32.648 ( -8.926 8.133 4.834) 13.007 32.804 ( -9.294 3.320 3.115) 10.349 33.177 ( 10.909 7.264 0.888) 13.136 33.460 ( 14.585 -1.986 -2.176) 14.879 ======================= Grid point 225 (117/126) ======================= q-point: (-0.25 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -16.332 25.975 4.843) 31.063 3.813 ( -11.383 19.663 -1.855) 22.796 4.037 ( -8.297 9.955 -2.442) 13.188 4.369 ( -15.241 23.450 -8.782) 29.314 4.537 ( -13.749 2.757 -3.781) 14.524 4.623 ( -9.281 6.983 -2.889) 11.969 4.861 ( -3.363 -14.906 1.771) 15.383 4.935 ( -4.761 -4.333 5.640) 8.559 5.331 ( -2.669 -9.918 -2.327) 10.531 5.594 ( -1.019 -3.317 1.687) 3.858 5.667 ( 0.538 2.181 2.200) 3.144 5.991 ( 2.286 11.320 -5.731) 12.892 6.184 ( -4.740 -7.416 8.743) 12.406 6.354 ( 4.866 0.772 -8.472) 9.801 6.466 ( -0.304 -13.058 4.778) 13.908 6.629 ( 5.552 11.893 -4.484) 13.870 6.815 ( -4.934 -6.687 3.886) 9.174 6.877 ( 5.582 2.006 3.722) 7.003 7.088 ( -7.960 1.911 3.456) 8.886 7.243 ( -2.936 7.002 -1.862) 7.818 7.503 ( -4.546 -0.567 0.455) 4.604 7.674 ( 0.459 -1.458 2.172) 2.655 7.924 ( -5.854 -4.561 3.872) 8.371 8.290 ( 2.616 -11.370 -5.562) 12.925 8.369 ( -0.475 -2.295 -1.354) 2.707 8.574 ( -3.491 -6.875 -3.591) 8.505 9.112 ( 4.998 -1.570 1.273) 5.391 9.218 ( 7.644 -11.087 3.643) 13.950 9.572 ( -0.657 2.136 -4.353) 4.894 9.671 ( 0.227 3.573 11.364) 11.915 9.750 ( -0.456 0.364 6.280) 6.307 9.990 ( -4.871 0.835 -10.093) 11.238 10.056 ( -0.424 -0.153 2.438) 2.479 10.291 ( 2.896 -2.717 3.499) 5.292 10.452 ( 8.485 -7.599 2.525) 11.667 10.585 ( 1.841 -4.800 4.219) 6.651 10.851 ( 2.765 -2.276 -11.095) 11.659 11.055 ( 1.452 -3.944 1.785) 4.566 11.333 ( -0.055 -5.837 -4.494) 7.367 11.458 ( 5.058 -0.070 -6.567) 8.289 12.210 ( 1.086 1.121 -2.751) 3.163 12.466 ( -3.910 -6.063 2.653) 7.687 12.982 ( 1.837 10.195 3.871) 11.059 13.321 ( 3.250 5.878 -0.867) 6.772 13.512 ( 2.401 -1.792 6.543) 7.196 13.644 ( 2.691 -2.714 -4.588) 5.971 14.835 ( -0.237 4.735 3.534) 5.913 14.969 ( 1.830 1.222 1.612) 2.728 15.348 ( -0.280 2.659 -5.085) 5.745 15.450 ( 0.285 0.317 -0.385) 0.575 15.623 ( -0.666 3.082 2.109) 3.794 15.778 ( -3.046 -4.604 -0.039) 5.521 16.246 ( 2.083 1.704 1.156) 2.929 16.282 ( 1.310 1.152 -3.258) 3.695 17.358 ( -0.305 -1.027 1.622) 1.943 17.416 ( 0.002 -2.085 -0.226) 2.097 17.917 ( -0.324 -2.102 0.120) 2.130 17.936 ( -1.040 -2.676 0.377) 2.896 18.623 ( 0.319 2.612 0.839) 2.761 18.749 ( 1.945 0.027 -2.725) 3.348 19.027 ( 3.734 -3.192 -1.062) 5.026 19.059 ( 3.549 -0.623 -0.008) 3.603 26.369 ( -3.113 2.482 -1.361) 4.208 26.517 ( 0.961 -1.703 1.092) 2.240 26.775 ( -5.281 -0.330 0.056) 5.291 26.901 ( -3.453 -3.270 0.281) 4.764 28.805 ( -2.473 4.924 -0.603) 5.543 28.864 ( -0.947 6.231 0.937) 6.372 29.103 ( -6.860 -3.500 3.142) 8.318 29.311 ( -6.727 -7.508 -1.078) 10.139 31.411 ( 2.094 4.521 1.271) 5.142 31.548 ( 1.035 2.917 -0.382) 3.119 31.858 ( -0.200 3.202 -0.047) 3.209 32.183 ( -5.122 -4.185 -2.330) 7.013 32.522 ( -2.607 7.974 -1.680) 8.556 32.665 ( -3.702 2.015 -1.027) 4.339 33.434 ( 12.609 7.985 5.315) 15.843 33.751 ( 12.447 -3.451 -3.178) 13.301 ======================= Grid point 226 (118/126) ======================= q-point: (-0.12 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -10.623 26.427 5.612) 29.030 3.513 ( -16.189 18.134 -7.699) 25.499 3.901 ( -4.203 23.991 8.307) 25.734 4.101 ( -8.354 18.649 -9.089) 22.365 4.232 ( -11.330 -1.657 -5.336) 12.633 4.335 ( -13.320 9.676 -2.265) 16.619 4.868 ( -1.915 -9.748 4.676) 10.979 4.913 ( 4.136 -18.178 -3.242) 18.922 5.294 ( -0.581 -9.854 -1.881) 10.048 5.502 ( -7.112 -6.735 0.033) 9.794 5.708 ( 2.762 0.213 5.715) 6.351 5.901 ( -6.504 -2.357 1.576) 7.095 6.255 ( 8.527 8.571 -3.007) 12.458 6.388 ( 0.111 -4.028 14.085) 14.650 6.543 ( 1.309 9.613 -1.709) 9.852 6.648 ( -1.389 3.685 2.442) 4.634 6.730 ( -3.009 -3.005 -3.129) 5.280 6.865 ( -3.959 6.598 -4.714) 9.024 7.043 ( 5.427 -4.743 -4.332) 8.410 7.214 ( -3.976 -1.502 2.536) 4.950 7.438 ( 0.532 5.312 -4.279) 6.842 7.622 ( -5.299 -1.252 1.176) 5.570 7.873 ( 1.448 3.317 9.897) 10.538 8.282 ( -3.318 -0.750 -11.567) 12.056 8.449 ( 6.871 -13.866 1.750) 15.573 8.584 ( 2.915 -8.232 -4.049) 9.626 9.204 ( 2.201 2.925 3.555) 5.103 9.313 ( 1.405 -9.110 6.500) 11.279 9.561 ( -0.558 1.901 -5.689) 6.025 9.672 ( -0.195 1.304 14.195) 14.256 9.724 ( -1.996 1.906 5.553) 6.201 9.893 ( -1.815 -4.439 -13.412) 14.243 10.094 ( 3.045 0.846 8.443) 9.015 10.338 ( 0.529 -1.416 -1.959) 2.474 10.609 ( 0.920 -4.927 2.302) 5.515 10.643 ( 6.817 -8.970 -2.019) 11.446 10.917 ( 4.750 -2.909 -5.812) 8.051 11.068 ( -0.435 -4.763 1.597) 5.042 11.300 ( -1.321 -7.251 -0.377) 7.380 11.485 ( -2.647 -6.458 -6.952) 9.851 12.248 ( 2.541 0.408 -5.182) 5.786 12.346 ( -6.432 -3.700 3.950) 8.406 13.076 ( 6.405 11.152 3.183) 13.248 13.345 ( -1.527 8.572 -1.263) 8.798 13.553 ( 1.487 -2.719 6.631) 7.319 13.684 ( 1.380 -1.939 -5.687) 6.165 14.864 ( 2.623 5.270 5.583) 8.113 15.053 ( 5.118 -0.892 4.409) 6.814 15.251 ( -6.849 2.845 -6.354) 9.766 15.398 ( -3.774 -1.157 -1.070) 4.090 15.686 ( 2.913 1.676 2.457) 4.163 15.758 ( 1.404 -1.880 -2.240) 3.243 16.280 ( 0.489 0.601 2.326) 2.452 16.299 ( 1.150 1.917 -3.347) 4.025 17.357 ( 0.270 -1.059 1.313) 1.708 17.407 ( -0.746 -2.368 -0.545) 2.541 17.916 ( -0.024 -2.273 0.319) 2.296 17.924 ( 0.003 -2.142 -0.285) 2.161 18.644 ( 1.461 1.065 3.071) 3.564 18.774 ( 0.394 -2.069 -3.699) 4.256 19.083 ( 1.703 -1.105 1.963) 2.824 19.147 ( 3.838 -0.533 -4.508) 5.944 26.324 ( -0.503 2.877 -0.047) 2.921 26.516 ( -2.528 -3.910 -1.616) 4.928 26.681 ( -1.843 2.155 1.801) 3.359 26.818 ( -3.976 -2.195 0.021) 4.541 28.762 ( -1.195 4.585 0.302) 4.748 28.831 ( -2.237 5.792 -0.158) 6.211 28.996 ( -2.729 -2.998 3.825) 5.574 29.163 ( -6.312 -5.394 -2.257) 8.604 31.465 ( 2.687 4.223 1.003) 5.105 31.564 ( 0.277 3.685 -0.750) 3.771 31.862 ( 0.500 0.013 2.306) 2.360 32.038 ( -6.643 -1.057 1.260) 6.843 32.503 ( -0.226 6.781 0.039) 6.785 32.627 ( -0.329 0.726 -8.822) 8.858 33.682 ( 9.886 5.630 8.541) 14.226 33.955 ( 6.138 -3.975 -4.941) 8.825 ======================= Grid point 227 (119/126) ======================= q-point: ( 0.00 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( -0.639 19.435 2.957) 19.669 3.579 ( -1.288 12.133 -2.470) 12.448 3.911 ( -0.387 -6.606 0.094) 6.618 3.959 ( 0.330 -9.754 -4.537) 10.763 4.423 ( -2.901 18.238 7.695) 20.007 4.599 ( -3.572 11.169 -2.051) 11.904 4.641 ( 1.696 -2.059 -7.025) 7.514 4.768 ( 4.705 -3.740 -11.843) 13.281 5.133 ( -3.478 -6.322 1.364) 7.344 5.171 ( 5.256 -9.478 -2.891) 11.217 5.741 ( 1.939 -2.008 5.567) 6.228 5.771 ( 0.540 -4.113 2.066) 4.634 6.276 ( -4.575 1.570 14.825) 15.595 6.397 ( -1.536 -9.711 8.134) 12.760 6.519 ( 0.955 -2.160 0.807) 2.495 6.566 ( 3.180 -6.417 1.017) 7.234 6.860 ( -4.621 12.359 -4.137) 13.828 6.939 ( 2.031 2.034 -11.294) 11.654 7.093 ( 0.307 2.686 1.490) 3.087 7.153 ( 0.743 -2.422 -4.330) 5.016 7.579 ( 0.405 10.590 7.691) 13.094 7.701 ( 2.949 1.889 -2.667) 4.402 8.082 ( 4.028 10.458 4.334) 12.016 8.225 ( -3.581 1.697 -7.637) 8.603 8.266 ( -2.894 -8.478 2.079) 9.196 8.410 ( 0.803 -13.487 -9.389) 16.453 9.244 ( -1.251 2.605 6.825) 7.412 9.296 ( 0.329 -2.038 1.241) 2.408 9.552 ( -5.511 2.018 7.957) 9.888 9.589 ( -4.810 -2.122 4.150) 6.698 9.776 ( 4.945 3.031 1.002) 5.886 9.846 ( 5.725 -3.982 -4.831) 8.484 10.188 ( 0.641 3.013 10.567) 11.007 10.264 ( -1.654 -3.939 6.561) 7.829 10.551 ( 1.352 -1.583 -9.525) 9.749 10.587 ( 1.943 -4.837 -10.899) 12.081 10.957 ( -5.813 2.042 4.855) 7.844 11.026 ( -2.491 -2.734 1.513) 3.996 11.170 ( 0.976 0.987 -1.444) 2.003 11.283 ( 4.948 -8.327 -9.223) 13.375 12.236 ( -1.638 1.364 0.770) 2.266 12.274 ( 1.388 -2.450 -3.072) 4.168 13.370 ( 1.189 8.231 5.122) 9.767 13.466 ( -0.787 7.410 -4.124) 8.517 13.510 ( 1.105 -3.960 4.741) 6.275 13.622 ( -0.572 -6.332 -6.115) 8.822 15.021 ( 2.976 3.819 9.160) 10.360 15.084 ( 0.774 -2.198 8.561) 8.872 15.187 ( -3.053 2.254 -4.305) 5.739 15.245 ( -4.234 -3.281 -4.562) 7.036 15.747 ( 0.551 2.199 -0.521) 2.326 15.783 ( 1.310 -1.563 -3.786) 4.301 16.312 ( -0.038 2.114 1.388) 2.529 16.338 ( 0.652 -0.440 -1.101) 1.354 17.356 ( 0.233 -0.081 0.076) 0.258 17.364 ( 0.002 -0.892 -0.622) 1.087 17.893 ( 0.195 -0.333 0.331) 0.508 17.900 ( 0.251 -1.022 -0.405) 1.127 18.676 ( 0.060 0.903 2.403) 2.568 18.709 ( -0.693 -2.471 -0.747) 2.673 19.125 ( 0.068 1.660 -0.030) 1.662 19.160 ( -0.048 -1.771 -3.365) 3.803 26.388 ( 1.262 1.197 0.653) 1.858 26.406 ( -1.839 -0.681 -1.235) 2.317 26.714 ( 0.944 0.501 1.090) 1.527 26.729 ( -0.425 -1.004 -0.444) 1.177 28.842 ( 0.963 3.540 1.706) 4.046 28.870 ( -0.864 2.671 -0.687) 2.890 28.939 ( 0.569 -0.968 2.457) 2.701 28.994 ( -0.453 -4.618 -2.601) 5.319 31.588 ( 1.326 3.390 2.549) 4.444 31.617 ( 0.082 1.090 0.128) 1.100 31.848 ( -0.880 1.123 3.131) 3.441 31.907 ( -1.539 -4.230 -2.101) 4.967 32.598 ( -0.000 4.480 -1.650) 4.774 32.648 ( 1.261 -0.735 -6.633) 6.791 33.878 ( 0.617 3.058 5.027) 5.916 33.936 ( -1.072 -2.925 -0.936) 3.253 ======================= Grid point 228 (120/126) ======================= q-point: ( 0.12 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 10.371 21.296 1.792) 23.755 3.735 ( 12.451 10.790 1.618) 16.555 3.998 ( 6.905 -5.487 0.050) 8.819 4.060 ( 8.541 -12.134 -2.061) 14.981 4.419 ( 4.154 11.805 3.028) 12.876 4.542 ( 0.666 -3.166 0.437) 3.265 4.770 ( 8.315 10.705 -8.534) 16.018 4.874 ( 5.351 -0.683 -9.079) 10.561 5.183 ( 7.629 3.699 -2.029) 8.718 5.362 ( 11.448 -10.152 -1.965) 15.427 5.751 ( -1.102 -2.724 2.903) 4.131 5.801 ( 1.815 -6.523 4.010) 7.869 6.163 ( -4.574 0.732 5.070) 6.868 6.264 ( -7.217 -9.206 6.215) 13.246 6.584 ( 2.453 -1.106 5.607) 6.220 6.630 ( 2.329 -4.866 4.194) 6.833 6.763 ( -4.268 13.621 -2.903) 14.567 6.916 ( -3.568 -3.686 -6.220) 8.063 7.168 ( 5.451 3.967 -3.190) 7.459 7.207 ( 2.003 -1.119 1.311) 2.642 7.609 ( 2.666 9.906 2.429) 10.542 7.753 ( 2.018 -0.111 -6.716) 7.014 8.096 ( -3.852 2.264 3.367) 5.595 8.116 ( -6.131 3.272 -5.038) 8.583 8.213 ( 2.011 -1.880 0.705) 2.841 8.402 ( -1.606 -12.197 -4.042) 12.949 9.189 ( -3.845 1.753 3.714) 5.626 9.246 ( -4.822 -4.365 1.031) 6.585 9.452 ( -3.524 2.692 9.840) 10.793 9.528 ( -1.854 -4.611 10.782) 11.872 9.887 ( 4.563 5.030 -0.780) 6.836 9.974 ( 5.787 -2.889 -5.276) 8.347 10.174 ( -2.080 1.148 8.259) 8.594 10.206 ( -3.491 -1.199 3.391) 5.013 10.568 ( 0.671 -1.147 -9.796) 9.886 10.607 ( 0.298 -4.538 -12.672) 13.463 10.828 ( -5.263 1.618 3.215) 6.376 10.906 ( -4.444 -6.133 5.249) 9.215 11.274 ( 4.705 4.185 -4.014) 7.467 11.387 ( 2.975 -6.360 -4.195) 8.179 12.227 ( 0.696 3.981 0.198) 4.046 12.324 ( 3.144 -5.854 -2.849) 7.230 13.303 ( -5.317 10.092 1.735) 11.538 13.449 ( -3.167 -0.732 0.007) 3.250 13.526 ( 0.715 -0.012 2.000) 2.124 13.609 ( -0.776 -5.167 -5.231) 7.393 15.004 ( -4.023 2.670 2.873) 5.619 15.035 ( -3.614 -0.274 5.531) 6.613 15.203 ( 4.130 2.209 0.899) 4.769 15.265 ( 4.634 -3.974 2.782) 6.708 15.735 ( -1.480 2.825 -1.986) 3.757 15.778 ( -1.557 -1.755 -3.354) 4.093 16.304 ( -0.857 2.907 0.864) 3.151 16.342 ( -0.294 -1.081 -1.714) 2.048 17.360 ( 0.244 0.052 -0.346) 0.426 17.372 ( 0.561 -1.099 -0.385) 1.292 17.896 ( 0.159 -0.267 -0.196) 0.367 17.906 ( 0.376 -1.189 -0.871) 1.521 18.673 ( -0.387 0.803 2.000) 2.189 18.701 ( -0.108 -1.751 0.326) 1.784 19.088 ( -3.362 1.587 -0.421) 3.742 19.123 ( -3.077 -1.739 -2.358) 4.249 26.384 ( 0.116 2.286 -0.420) 2.327 26.426 ( 1.939 -2.236 0.996) 3.123 26.739 ( 2.193 1.735 -0.316) 2.814 26.777 ( 3.460 -2.187 -0.057) 4.093 28.861 ( 1.373 4.320 0.153) 4.535 28.925 ( 5.111 1.939 0.724) 5.515 28.949 ( 0.718 -0.131 0.702) 1.013 29.046 ( 4.663 -5.914 -1.045) 7.604 31.584 ( -1.367 3.905 0.190) 4.142 31.607 ( -0.702 1.881 -0.171) 2.015 31.853 ( 0.942 1.070 3.463) 3.745 31.912 ( 1.399 -5.687 1.633) 6.080 32.617 ( 2.210 5.861 -3.489) 7.170 32.687 ( 2.695 -1.404 -6.732) 7.386 33.808 ( -7.300 1.537 4.508) 8.716 33.835 ( -7.979 -0.935 0.392) 8.043 ======================= Grid point 229 (121/126) ======================= q-point: ( 0.25 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( 7.764 17.882 5.282) 20.197 4.044 ( 17.247 12.453 0.670) 21.284 4.101 ( 2.927 -5.290 -0.819) 6.101 4.336 ( 15.890 -13.252 1.661) 20.757 4.605 ( 11.410 4.445 -1.628) 12.353 4.641 ( 7.792 -1.576 -6.737) 10.420 4.924 ( 4.614 12.882 -0.915) 13.714 5.033 ( 11.132 0.672 -6.203) 12.761 5.388 ( 9.701 10.058 -3.900) 14.508 5.565 ( 6.032 -4.085 -1.890) 7.526 5.718 ( -0.977 -2.615 3.891) 4.788 5.821 ( -0.038 -6.270 7.978) 10.147 6.120 ( -0.668 -3.157 -4.793) 5.778 6.222 ( 5.383 -9.880 -3.501) 11.783 6.562 ( -5.281 2.280 9.690) 11.268 6.652 ( -5.789 5.808 5.732) 10.005 6.658 ( -1.087 0.874 -0.555) 1.501 6.836 ( -3.163 -6.787 -6.914) 10.191 7.178 ( -1.181 3.357 2.961) 4.629 7.267 ( 0.493 -3.788 4.658) 6.024 7.673 ( 2.435 7.036 -4.047) 8.474 7.785 ( 1.265 -1.591 -10.371) 10.568 8.015 ( -2.499 3.189 -1.575) 4.346 8.055 ( 1.129 -1.243 3.555) 3.932 8.305 ( 4.985 -1.198 1.212) 5.268 8.378 ( 1.012 -6.545 0.494) 6.641 9.094 ( -4.534 -0.788 -0.275) 4.610 9.116 ( -6.350 -3.928 -1.700) 7.658 9.403 ( -1.356 3.841 12.823) 13.455 9.506 ( -0.510 -6.228 14.811) 16.075 9.949 ( 0.965 6.315 -0.549) 6.412 10.042 ( -0.399 -1.510 -6.245) 6.438 10.125 ( -1.835 0.480 2.401) 3.060 10.159 ( 0.628 -4.180 5.994) 7.335 10.579 ( 0.676 0.522 -11.682) 11.713 10.603 ( 0.046 -1.916 -12.820) 12.962 10.743 ( -3.388 5.203 3.202) 6.986 10.886 ( 1.289 -8.937 2.174) 9.287 11.283 ( -4.515 4.591 0.811) 6.491 11.383 ( -2.860 -5.348 -1.438) 6.233 12.258 ( 1.954 5.052 -1.992) 5.771 12.382 ( 1.685 -7.348 -2.461) 7.931 13.200 ( -3.737 9.314 0.843) 10.071 13.350 ( -5.246 -4.553 0.286) 6.952 13.517 ( -1.715 1.493 1.823) 2.915 13.574 ( -2.405 -3.431 -3.615) 5.534 14.945 ( -1.142 2.451 1.012) 2.887 14.973 ( -1.378 -0.336 2.415) 2.801 15.314 ( 4.808 2.278 1.879) 5.642 15.364 ( 3.586 -2.772 2.552) 5.202 15.701 ( -0.966 2.168 -0.737) 2.486 15.736 ( -1.351 -1.634 -0.697) 2.232 16.273 ( -2.060 3.536 0.613) 4.138 16.322 ( -1.628 -1.551 -2.192) 3.140 17.367 ( 0.383 0.180 -0.347) 0.547 17.382 ( 0.327 -1.244 -0.205) 1.302 17.904 ( 0.677 -0.116 -0.775) 1.036 17.918 ( 0.808 -1.495 -1.198) 2.079 18.666 ( -0.159 1.898 1.141) 2.220 18.702 ( 0.165 -1.184 1.268) 1.742 19.000 ( -4.500 1.376 -0.616) 4.745 19.041 ( -4.303 -2.312 -1.197) 5.030 26.410 ( 2.144 2.895 0.347) 3.619 26.465 ( 1.698 -2.882 0.746) 3.427 26.800 ( 3.151 1.921 -0.387) 3.711 26.848 ( 2.922 -2.946 -0.337) 4.163 28.903 ( 2.320 5.181 0.277) 5.683 28.972 ( 1.284 0.756 0.060) 1.491 29.055 ( 6.665 0.798 0.710) 6.750 29.160 ( 5.519 -7.295 -0.578) 9.166 31.559 ( -0.819 4.266 -0.656) 4.393 31.585 ( -1.186 1.868 -0.228) 2.225 31.882 ( 1.643 1.059 2.145) 2.902 31.937 ( 0.631 -5.366 3.695) 6.546 32.704 ( 6.219 5.475 -4.927) 9.639 32.768 ( 5.312 -0.925 -6.225) 8.235 33.585 ( -12.997 2.847 2.048) 13.462 33.622 ( -11.963 -1.101 3.891) 12.628 ======================= Grid point 230 (122/126) ======================= q-point: ( 0.38 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( 4.518 10.174 6.190) 12.737 4.150 ( 2.350 -8.456 -4.348) 9.794 4.410 ( 14.872 14.252 1.697) 20.669 4.597 ( 6.262 -2.954 7.895) 10.501 4.770 ( 6.194 6.714 -11.863) 14.972 4.850 ( 6.031 -1.013 -11.800) 13.291 5.025 ( 8.329 12.689 4.785) 15.915 5.249 ( 6.121 -7.704 -0.276) 9.843 5.537 ( 4.794 9.012 -0.783) 10.238 5.618 ( 0.724 3.701 1.306) 3.990 5.770 ( 5.516 -3.521 -3.637) 7.487 5.821 ( -0.478 -0.203 5.948) 5.971 6.152 ( 2.144 -1.387 -10.113) 10.430 6.286 ( -4.250 -12.592 -4.317) 13.974 6.407 ( -5.333 4.676 10.535) 12.701 6.556 ( -5.698 -9.907 8.508) 14.248 6.621 ( 3.139 9.503 -4.523) 10.983 6.784 ( -2.385 -5.865 -3.553) 7.260 7.182 ( 1.426 1.704 4.194) 4.746 7.242 ( -1.636 -3.638 5.280) 6.617 7.673 ( -1.881 3.049 -2.876) 4.594 7.782 ( -2.499 -6.469 -6.580) 9.560 8.028 ( 3.178 3.242 0.029) 4.539 8.102 ( 2.356 -3.917 1.657) 4.862 8.374 ( 2.190 1.787 1.852) 3.379 8.441 ( 1.917 -5.347 1.597) 5.900 9.037 ( 0.302 -1.123 -2.513) 2.769 9.049 ( 0.355 -2.143 -2.861) 3.592 9.406 ( 1.687 4.498 14.293) 15.078 9.518 ( 1.498 -6.659 15.799) 17.210 9.914 ( -3.614 4.162 -5.657) 7.898 9.985 ( -3.915 -2.485 -4.695) 6.599 10.156 ( 5.097 2.409 2.286) 6.084 10.228 ( 4.987 -4.824 6.020) 9.186 10.567 ( -4.186 0.506 -9.380) 10.284 10.591 ( -1.989 -1.561 -10.222) 10.530 10.675 ( -1.399 11.303 2.691) 11.702 10.884 ( -3.324 -9.051 -1.087) 9.703 11.158 ( -3.510 5.497 0.764) 6.567 11.290 ( -4.807 -7.228 -2.534) 9.043 12.296 ( 1.551 2.677 -2.748) 4.138 12.372 ( -2.545 -4.812 -0.474) 5.464 13.160 ( -0.145 5.833 0.826) 5.893 13.249 ( -4.105 -2.560 0.574) 4.872 13.472 ( -1.951 1.700 2.063) 3.309 13.521 ( -2.047 -2.846 -2.953) 4.583 14.960 ( 2.232 2.347 0.684) 3.310 14.984 ( 1.813 -0.042 1.140) 2.142 15.352 ( -1.299 1.983 -0.620) 2.450 15.374 ( -2.550 -0.225 -0.165) 2.566 15.729 ( 3.613 0.681 2.978) 4.731 15.763 ( 3.491 -2.788 1.625) 4.754 16.221 ( -2.546 3.958 0.257) 4.714 16.276 ( -2.422 -1.771 -3.157) 4.355 17.375 ( 0.384 0.125 0.015) 0.404 17.386 ( 0.037 -0.888 -0.044) 0.890 17.921 ( 0.807 -0.284 -0.933) 1.266 17.933 ( 0.401 -1.390 -1.060) 1.793 18.674 ( 1.004 2.863 1.015) 3.199 18.711 ( 0.611 -0.144 1.187) 1.343 18.913 ( -3.314 0.203 -0.587) 3.372 18.951 ( -3.924 -2.858 -0.759) 4.914 26.461 ( 2.305 2.220 0.665) 3.269 26.496 ( 1.040 -1.367 0.430) 1.771 26.857 ( 2.140 0.556 -0.275) 2.228 26.891 ( 1.023 -2.748 -0.381) 2.957 28.949 ( 1.861 5.275 0.811) 5.652 28.994 ( 0.556 2.259 -0.130) 2.330 29.184 ( 4.911 -1.488 1.067) 5.242 29.254 ( 2.970 -7.139 -1.005) 7.798 31.540 ( -1.352 4.165 3.277) 5.469 31.567 ( -0.326 1.952 -1.616) 2.555 31.916 ( 1.096 0.209 2.664) 2.888 31.955 ( 1.950 -3.544 -3.072) 5.079 32.868 ( 8.916 4.461 -4.507) 10.941 32.916 ( 9.002 -0.411 -4.543) 10.092 33.293 ( -14.030 4.314 2.618) 14.910 33.347 ( -13.710 -1.472 4.584) 14.531 ======================= Grid point 231 (123/126) ======================= q-point: (-0.50 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 3.211 7.392 3.814) 8.916 4.190 ( 1.275 -7.107 -9.927) 12.275 4.605 ( 2.257 8.463 5.336) 10.256 4.615 ( -2.591 5.775 10.327) 12.113 4.794 ( -4.402 12.935 -9.581) 16.687 4.938 ( 3.636 1.844 -17.888) 18.347 5.201 ( 2.604 -0.002 4.844) 5.500 5.249 ( -2.538 -6.989 1.330) 7.554 5.561 ( -4.753 10.600 4.430) 12.433 5.660 ( 5.736 9.541 -2.868) 11.496 5.740 ( -8.953 -1.187 7.866) 11.976 5.935 ( 9.289 -9.321 -7.704) 15.248 6.087 ( -6.146 -1.826 3.054) 7.102 6.181 ( -3.785 -8.577 -4.362) 10.340 6.437 ( 4.933 1.288 2.691) 5.765 6.484 ( 2.762 -2.952 0.305) 4.054 6.673 ( -3.338 5.097 1.047) 6.182 6.767 ( 3.327 -4.932 -6.177) 8.576 7.208 ( -0.756 0.456 4.899) 4.978 7.231 ( 1.832 -1.485 2.923) 3.756 7.630 ( -2.173 -2.566 5.194) 6.187 7.685 ( -5.050 -7.237 -0.270) 8.829 8.098 ( 1.748 -0.829 0.701) 2.058 8.104 ( -2.346 -1.257 -0.172) 2.667 8.424 ( 2.958 1.363 -0.707) 3.333 8.477 ( 3.377 -3.696 -5.563) 7.484 9.041 ( -2.461 -0.665 1.767) 3.102 9.051 ( -1.976 -1.481 0.296) 2.487 9.501 ( 6.798 3.775 11.897) 14.213 9.583 ( 4.402 -4.146 9.256) 11.056 9.829 ( -3.845 2.060 -2.862) 5.216 9.900 ( -3.395 -4.577 -4.455) 7.233 10.290 ( 1.277 1.741 5.735) 6.128 10.317 ( 2.704 -0.748 11.080) 11.429 10.397 ( -5.777 3.734 -6.766) 9.649 10.472 ( -7.838 -3.341 -3.474) 9.201 10.743 ( 7.332 6.365 -3.004) 10.164 10.812 ( -0.680 0.018 -8.566) 8.593 11.187 ( 4.783 -1.749 -3.130) 5.977 11.224 ( -0.872 -5.100 -6.645) 8.422 12.300 ( -3.487 0.036 1.898) 3.971 12.326 ( 1.374 -2.667 -0.646) 3.068 13.161 ( -1.616 3.163 2.943) 4.613 13.196 ( 0.617 -0.139 -0.416) 0.757 13.452 ( 0.142 2.148 1.655) 2.715 13.503 ( 0.633 -2.838 -3.254) 4.363 15.004 ( -0.244 1.496 0.577) 1.622 15.009 ( 0.425 1.095 0.149) 1.184 15.316 ( -0.818 1.612 0.609) 1.908 15.324 ( 0.006 0.746 -0.204) 0.773 15.791 ( 0.585 -0.075 3.490) 3.539 15.821 ( 0.599 -3.233 0.886) 3.405 16.193 ( 0.503 3.686 -0.207) 3.725 16.241 ( -0.236 -1.231 -4.612) 4.780 17.377 ( -0.426 0.089 0.885) 0.987 17.385 ( -0.033 -0.678 0.065) 0.682 17.930 ( -0.319 -0.743 -0.434) 0.918 17.931 ( -0.326 -0.899 -0.586) 1.122 18.706 ( 1.520 2.783 0.863) 3.286 18.716 ( -0.372 2.050 0.007) 2.083 18.882 ( 0.749 -2.160 -0.012) 2.286 18.891 ( -1.248 -2.696 -0.798) 3.077 26.496 ( 0.843 1.007 0.642) 1.462 26.502 ( -0.590 0.390 0.109) 0.716 26.887 ( 0.304 -1.119 0.036) 1.160 26.892 ( -0.480 -1.681 -0.434) 1.802 28.975 ( 0.334 4.572 1.381) 4.787 28.992 ( -0.637 3.472 -0.148) 3.533 29.240 ( -0.181 -2.792 2.075) 3.483 29.284 ( 0.226 -6.419 -2.113) 6.762 31.507 ( -1.591 4.785 4.794) 6.958 31.560 ( -0.499 0.010 1.025) 1.140 31.933 ( 0.918 3.124 -1.399) 3.544 32.022 ( 3.800 -5.094 -8.824) 10.875 33.000 ( -10.612 5.121 5.042) 12.817 33.061 ( -9.553 -1.786 4.615) 10.758 33.084 ( 6.056 5.362 -2.893) 8.590 33.146 ( 11.686 -1.382 -3.359) 12.238 ======================= Grid point 232 (124/126) ======================= q-point: (-0.38 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( -1.676 10.319 -0.830) 10.487 4.192 ( -1.023 -3.178 -10.446) 10.966 4.445 ( -15.397 17.717 -0.320) 23.474 4.573 ( -0.796 5.995 5.977) 8.503 4.688 ( -6.303 -3.803 -4.591) 8.676 4.839 ( -11.712 -11.821 -8.148) 18.529 5.137 ( -4.515 8.169 -4.354) 10.300 5.194 ( -8.915 -0.010 4.845) 10.147 5.428 ( -7.570 9.543 6.731) 13.916 5.549 ( -5.912 -2.374 6.710) 9.253 5.748 ( 0.681 9.204 -2.526) 9.568 5.974 ( -1.020 2.508 4.555) 5.299 6.032 ( 0.720 -13.698 -9.265) 16.553 6.192 ( 0.647 -15.993 4.670) 16.673 6.487 ( -1.139 9.209 4.312) 10.232 6.618 ( 7.358 -4.069 2.978) 8.920 6.661 ( 5.025 7.421 -9.309) 12.922 6.810 ( 0.532 -7.399 -5.228) 9.075 7.192 ( -0.226 3.621 2.694) 4.519 7.288 ( 3.371 -4.859 1.385) 6.074 7.566 ( -2.319 0.517 5.442) 5.938 7.631 ( -1.341 -4.726 7.012) 8.562 8.020 ( -4.230 3.406 0.705) 5.476 8.111 ( -0.708 -5.865 0.960) 5.985 8.451 ( -1.656 3.855 -4.820) 6.390 8.537 ( -0.939 -5.678 -6.483) 8.669 8.982 ( 0.178 -1.232 2.375) 2.681 8.994 ( -0.077 -1.980 2.840) 3.463 9.630 ( 2.268 3.497 3.465) 5.420 9.679 ( 4.822 0.328 0.367) 4.847 9.762 ( -2.129 2.242 2.853) 4.207 9.889 ( 3.086 -8.578 -1.209) 9.196 10.161 ( -5.410 5.141 6.510) 9.904 10.266 ( -5.245 -4.736 7.580) 10.363 10.364 ( -1.817 3.321 -0.013) 3.785 10.440 ( 1.712 -4.034 0.603) 4.423 10.836 ( 2.644 4.726 -10.366) 11.695 10.920 ( 6.122 -2.482 -3.137) 7.313 11.257 ( 3.873 0.750 -8.074) 8.986 11.313 ( 6.152 -3.461 -4.484) 8.363 12.250 ( -1.021 3.329 1.575) 3.822 12.351 ( 0.655 -6.895 1.510) 7.088 13.132 ( -0.204 6.583 2.985) 7.231 13.239 ( 2.872 -3.846 1.620) 5.066 13.479 ( 2.191 3.139 0.468) 3.857 13.540 ( 2.579 -2.738 -3.560) 5.180 14.950 ( -3.143 2.995 1.500) 4.593 14.987 ( -2.157 -0.684 0.868) 2.423 15.352 ( 3.440 2.374 -0.518) 4.211 15.381 ( 4.120 -0.472 -0.700) 4.205 15.744 ( -4.271 0.931 1.957) 4.789 15.779 ( -3.686 -2.994 -0.121) 4.750 16.234 ( 2.544 2.371 0.749) 3.557 16.263 ( 1.847 -0.361 -3.701) 4.152 17.364 ( -0.583 0.483 0.968) 1.229 17.383 ( -0.135 -1.306 0.270) 1.341 17.910 ( -1.090 -0.329 0.024) 1.139 17.920 ( -0.895 -1.266 0.124) 1.555 18.693 ( -1.017 3.199 -0.636) 3.417 18.731 ( 0.479 0.137 -0.634) 0.806 18.910 ( 3.103 -0.714 -0.349) 3.203 18.939 ( 3.946 -2.713 0.294) 4.798 26.471 ( -2.161 1.711 -0.279) 2.770 26.496 ( -0.747 -0.734 0.452) 1.141 26.855 ( -2.370 0.353 -0.081) 2.398 26.885 ( -1.131 -2.608 0.080) 2.843 28.952 ( -2.200 4.374 0.588) 4.932 28.979 ( -0.802 2.950 1.186) 3.279 29.182 ( -4.783 -0.837 1.025) 4.963 29.258 ( -2.882 -7.365 -1.232) 8.004 31.485 ( -0.416 4.753 4.344) 6.452 31.550 ( -0.229 -1.472 3.064) 3.407 31.951 ( 0.497 5.872 -4.884) 7.654 32.085 ( 1.706 -7.302 -9.934) 12.446 32.777 ( -8.861 4.952 4.038) 10.924 32.830 ( -9.155 -0.561 3.688) 9.886 33.319 ( 12.140 6.515 0.078) 13.778 33.413 ( 13.083 -3.367 -1.656) 13.610 ======================= Grid point 233 (125/126) ======================= q-point: (-0.25 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( -12.504 21.113 -2.440) 24.659 4.098 ( -14.722 11.435 -3.798) 19.024 4.134 ( -4.471 -0.260 -3.228) 5.521 4.400 ( -17.637 -13.286 -4.377) 22.511 4.589 ( 1.299 -1.683 -3.256) 3.888 4.648 ( -7.471 -1.980 -8.352) 11.380 4.912 ( -12.392 5.887 5.933) 14.947 4.958 ( -11.981 8.896 -2.307) 15.100 5.264 ( -7.165 7.211 7.309) 12.520 5.478 ( -3.964 -9.145 6.451) 11.872 5.719 ( -2.513 5.562 1.297) 6.239 5.948 ( -9.484 -15.560 3.561) 18.567 6.061 ( 7.796 2.014 -4.918) 9.435 6.189 ( 4.156 -11.614 -0.122) 12.336 6.499 ( 0.821 9.870 7.304) 12.306 6.670 ( -2.376 -7.705 6.793) 10.543 6.791 ( 5.685 3.853 -8.371) 10.828 6.853 ( 3.632 -3.123 -5.064) 6.971 7.207 ( 0.708 7.929 -2.109) 8.235 7.333 ( -1.316 -1.794 -1.613) 2.749 7.552 ( 0.339 4.521 6.034) 7.547 7.610 ( -0.173 -2.020 6.959) 7.249 7.949 ( -1.539 5.518 3.741) 6.842 8.096 ( 0.802 -9.085 0.452) 9.131 8.383 ( -3.587 2.036 -5.835) 7.145 8.444 ( -3.916 -5.281 -5.719) 8.714 9.079 ( 7.125 -1.073 1.117) 7.291 9.094 ( 7.349 -2.372 0.813) 7.765 9.627 ( -0.700 3.967 -6.821) 7.921 9.707 ( -0.280 -3.183 0.548) 3.242 9.782 ( 0.492 6.077 10.596) 12.225 9.919 ( -3.337 -7.195 2.680) 8.371 10.119 ( 0.706 5.229 7.007) 8.772 10.220 ( 1.454 -4.780 5.795) 7.651 10.376 ( 4.095 0.761 -2.073) 4.653 10.456 ( 0.867 -6.557 -0.543) 6.637 10.888 ( 2.332 4.455 -9.270) 10.546 10.983 ( 1.372 -4.703 -5.185) 7.133 11.302 ( -1.206 2.965 -1.456) 3.517 11.400 ( 0.932 -5.404 -2.945) 6.224 12.251 ( 0.644 3.354 -1.381) 3.684 12.342 ( -1.632 -6.070 1.348) 6.428 13.169 ( 3.671 9.164 3.313) 10.412 13.321 ( 4.834 -5.898 2.886) 8.154 13.525 ( 1.485 3.762 -0.192) 4.049 13.595 ( 2.346 -3.003 -3.941) 5.482 14.913 ( 0.014 3.388 3.474) 4.853 14.963 ( 0.516 -1.649 2.949) 3.418 15.397 ( -0.708 2.367 -5.372) 5.913 15.436 ( -0.441 -1.570 -3.391) 3.763 15.673 ( -0.636 2.141 2.008) 3.003 15.713 ( -1.426 -2.410 1.252) 3.068 16.279 ( 1.627 1.639 1.481) 2.744 16.298 ( 1.318 -0.054 -1.437) 1.951 17.356 ( -0.269 0.694 0.625) 0.972 17.380 ( -0.242 -1.661 0.030) 1.679 17.892 ( -0.474 -0.422 0.255) 0.684 17.900 ( -0.773 -1.169 0.428) 1.465 18.678 ( -0.401 3.148 -0.051) 3.174 18.734 ( -0.101 -2.113 -1.416) 2.545 18.998 ( 4.651 0.659 -0.366) 4.712 19.032 ( 4.649 -2.091 -0.583) 5.131 26.420 ( -2.401 2.789 -0.531) 3.718 26.473 ( -1.211 -2.703 0.033) 2.962 26.793 ( -3.401 1.952 0.246) 3.929 26.841 ( -2.931 -2.921 0.274) 4.147 28.897 ( -2.752 4.608 0.728) 5.416 28.955 ( -1.343 0.829 1.701) 2.320 29.059 ( -6.302 1.578 0.173) 6.499 29.166 ( -5.390 -7.294 -0.987) 9.122 31.497 ( 1.460 4.240 3.254) 5.541 31.560 ( 1.086 -1.785 3.192) 3.815 31.940 ( -1.568 5.825 -4.042) 7.261 32.069 ( -3.025 -7.035 -6.254) 9.887 32.645 ( -3.623 4.488 0.114) 5.769 32.688 ( -4.316 -0.121 1.043) 4.442 33.576 ( 11.614 6.468 2.446) 13.517 33.679 ( 11.561 -4.386 -0.982) 12.404 ======================= Grid point 234 (126/126) ======================= q-point: (-0.12 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( -11.591 22.709 -0.508) 25.502 3.788 ( -14.763 10.058 -2.922) 18.101 4.007 ( -6.990 -4.860 -0.290) 8.518 4.078 ( -11.237 -12.549 -4.140) 17.346 4.481 ( -4.357 15.889 -0.672) 16.489 4.645 ( 2.237 -7.739 -7.766) 11.189 4.707 ( -8.289 13.487 -6.567) 17.139 4.759 ( -5.262 1.528 1.787) 5.763 5.149 ( -2.916 -2.207 0.690) 3.721 5.309 ( -11.036 -12.709 3.796) 17.255 5.700 ( 1.061 0.810 5.980) 6.127 5.789 ( -3.472 -7.196 4.337) 9.091 6.261 ( 8.823 -1.589 -0.854) 9.006 6.301 ( 4.469 -4.876 6.898) 9.557 6.503 ( 0.433 1.208 2.771) 3.053 6.599 ( -4.049 -7.388 6.222) 10.474 6.857 ( 2.203 4.772 -6.408) 8.288 6.934 ( 2.670 -3.820 -5.547) 7.245 7.134 ( -6.445 11.471 -1.797) 13.280 7.242 ( -5.736 0.138 -3.040) 6.493 7.569 ( 0.624 7.436 8.164) 11.060 7.637 ( 2.659 1.945 2.384) 4.067 7.984 ( 4.182 7.943 4.407) 10.001 8.187 ( 6.404 -12.851 0.945) 14.390 8.310 ( -2.782 3.081 -10.036) 10.861 8.412 ( -0.489 -8.140 -6.192) 10.239 9.218 ( 4.249 -0.678 3.391) 5.478 9.231 ( 5.289 -0.290 0.587) 5.329 9.618 ( -0.549 4.600 -6.702) 8.147 9.707 ( -2.071 -0.260 6.418) 6.749 9.756 ( -0.863 0.158 8.079) 8.127 9.781 ( -5.661 -4.527 2.141) 7.558 10.153 ( 1.970 5.039 10.186) 11.534 10.267 ( 1.239 -5.856 6.410) 8.770 10.502 ( 4.117 -3.505 -7.257) 9.050 10.508 ( 5.257 -3.843 -6.997) 9.558 10.945 ( 3.751 3.966 -6.482) 8.474 11.020 ( 1.986 -2.662 -3.300) 4.682 11.222 ( -4.490 0.912 -0.195) 4.586 11.332 ( -6.389 -8.537 -0.286) 10.667 12.260 ( 0.275 0.955 -3.043) 3.201 12.289 ( -2.932 -2.184 0.597) 3.705 13.276 ( 5.710 9.523 3.641) 11.685 13.428 ( 4.558 -4.890 3.084) 7.362 13.525 ( -1.463 4.852 -0.632) 5.107 13.626 ( 0.568 -4.348 -4.722) 6.444 14.950 ( 2.957 3.825 5.979) 7.689 15.013 ( 3.724 -2.842 5.804) 7.459 15.308 ( -6.280 2.913 -6.169) 9.272 15.360 ( -5.399 -2.519 -4.067) 7.214 15.713 ( 2.511 1.209 1.344) 3.094 15.733 ( 2.688 -0.960 -1.227) 3.107 16.305 ( 0.758 1.436 1.717) 2.363 16.320 ( 0.955 0.093 -0.701) 1.188 17.353 ( 0.003 0.451 0.250) 0.515 17.371 ( -0.495 -1.415 -0.230) 1.517 17.889 ( 0.046 -0.491 0.559) 0.746 17.894 ( 0.206 -0.990 -0.021) 1.011 18.674 ( -0.022 2.185 1.267) 2.526 18.725 ( -0.661 -2.900 -1.154) 3.190 19.087 ( 3.330 1.404 -0.226) 3.621 19.122 ( 3.433 -1.870 -2.461) 4.620 26.382 ( -0.880 3.178 -0.196) 3.303 26.446 ( -1.533 -3.472 -0.847) 3.889 26.726 ( -2.330 2.457 0.803) 3.480 26.773 ( -3.072 -2.435 0.234) 3.927 28.848 ( -1.591 4.342 1.195) 4.776 28.928 ( -2.432 -3.926 2.239) 5.132 28.942 ( -2.923 5.796 -0.636) 6.523 29.054 ( -4.595 -5.836 -1.488) 7.576 31.542 ( 2.501 3.689 2.606) 5.163 31.593 ( 1.746 -1.002 2.257) 3.024 31.890 ( -2.679 3.526 -0.814) 4.503 31.978 ( -4.613 -4.700 -2.786) 7.151 32.606 ( -0.693 3.630 -1.364) 3.939 32.639 ( -0.590 -0.024 -3.939) 3.983 33.786 ( 7.608 5.119 4.072) 10.033 33.876 ( 6.543 -4.323 -0.940) 7.898 =================== 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 3/34320 10.0 2782.818 3671.735 2506.423 0.000 -403.152 0.000 3/34320 20.0 1526.238 2138.167 2000.418 0.000 -186.280 0.000 3/34320 30.0 624.384 883.909 757.757 0.000 -69.055 0.000 3/34320 40.0 285.010 422.126 330.975 0.000 -28.769 0.000 3/34320 50.0 152.500 234.789 172.857 0.000 -15.546 0.000 3/34320 60.0 92.331 146.030 103.317 0.000 -9.922 0.000 3/34320 70.0 61.355 98.856 68.212 0.000 -7.012 0.000 3/34320 80.0 43.793 71.497 48.539 0.000 -5.299 0.000 3/34320 90.0 33.045 54.467 36.579 0.000 -4.195 0.000 3/34320 100.0 26.044 43.229 28.819 0.000 -3.438 0.000 3/34320 110.0 21.245 35.444 23.511 0.000 -2.894 0.000 3/34320 120.0 17.813 29.829 19.719 0.000 -2.488 0.000 3/34320 130.0 15.269 25.639 16.910 0.000 -2.175 0.000 3/34320 140.0 13.327 22.422 14.766 0.000 -1.930 0.000 3/34320 150.0 11.806 19.891 13.086 0.000 -1.732 0.000 3/34320 160.0 10.589 17.858 11.742 0.000 -1.570 0.000 3/34320 170.0 9.597 16.195 10.645 0.000 -1.436 0.000 3/34320 180.0 8.775 14.813 9.737 0.000 -1.323 0.000 3/34320 190.0 8.085 13.649 8.973 0.000 -1.226 0.000 3/34320 200.0 7.498 12.657 8.323 0.000 -1.143 0.000 3/34320 210.0 6.993 11.803 7.763 0.000 -1.071 0.000 3/34320 220.0 6.555 11.059 7.278 0.000 -1.007 0.000 3/34320 230.0 6.172 10.407 6.852 0.000 -0.951 0.000 3/34320 240.0 5.834 9.831 6.477 0.000 -0.902 0.000 3/34320 250.0 5.533 9.319 6.143 0.000 -0.857 0.000 3/34320 260.0 5.265 8.860 5.844 0.000 -0.817 0.000 3/34320 270.0 5.024 8.446 5.576 0.000 -0.781 0.000 3/34320 280.0 4.806 8.072 5.333 0.000 -0.748 0.000 3/34320 290.0 4.608 7.732 5.112 0.000 -0.718 0.000 3/34320 300.0 4.427 7.422 4.911 0.000 -0.691 0.000 3/34320 310.0 4.262 7.137 4.726 0.000 -0.665 0.000 3/34320 320.0 4.110 6.874 4.556 0.000 -0.642 0.000 3/34320 330.0 3.970 6.632 4.399 0.000 -0.620 0.000 3/34320 340.0 3.840 6.408 4.254 0.000 -0.600 0.000 3/34320 350.0 3.719 6.199 4.119 0.000 -0.582 0.000 3/34320 360.0 3.607 6.005 3.993 0.000 -0.564 0.000 3/34320 370.0 3.502 5.823 3.876 0.000 -0.548 0.000 3/34320 380.0 3.404 5.653 3.766 0.000 -0.533 0.000 3/34320 390.0 3.311 5.493 3.663 0.000 -0.518 0.000 3/34320 400.0 3.225 5.343 3.565 0.000 -0.505 0.000 3/34320 410.0 3.143 5.201 3.474 0.000 -0.492 0.000 3/34320 420.0 3.065 5.068 3.387 0.000 -0.480 0.000 3/34320 430.0 2.992 4.941 3.305 0.000 -0.468 0.000 3/34320 440.0 2.923 4.821 3.227 0.000 -0.457 0.000 3/34320 450.0 2.857 4.707 3.153 0.000 -0.447 0.000 3/34320 460.0 2.794 4.599 3.083 0.000 -0.437 0.000 3/34320 470.0 2.734 4.495 3.016 0.000 -0.428 0.000 3/34320 480.0 2.677 4.397 2.952 0.000 -0.419 0.000 3/34320 490.0 2.623 4.303 2.891 0.000 -0.410 0.000 3/34320 500.0 2.571 4.213 2.833 0.000 -0.402 0.000 3/34320 510.0 2.521 4.128 2.777 0.000 -0.394 0.000 3/34320 520.0 2.473 4.045 2.723 0.000 -0.386 0.000 3/34320 530.0 2.427 3.966 2.672 0.000 -0.379 0.000 3/34320 540.0 2.383 3.891 2.622 0.000 -0.372 0.000 3/34320 550.0 2.340 3.818 2.575 0.000 -0.365 0.000 3/34320 560.0 2.299 3.748 2.529 0.000 -0.359 0.000 3/34320 570.0 2.260 3.681 2.485 0.000 -0.353 0.000 3/34320 580.0 2.222 3.616 2.443 0.000 -0.347 0.000 3/34320 590.0 2.185 3.553 2.402 0.000 -0.341 0.000 3/34320 600.0 2.150 3.493 2.362 0.000 -0.335 0.000 3/34320 610.0 2.115 3.435 2.324 0.000 -0.330 0.000 3/34320 620.0 2.082 3.379 2.287 0.000 -0.325 0.000 3/34320 630.0 2.050 3.324 2.251 0.000 -0.319 0.000 3/34320 640.0 2.019 3.272 2.216 0.000 -0.315 0.000 3/34320 650.0 1.989 3.221 2.183 0.000 -0.310 0.000 3/34320 660.0 1.960 3.171 2.150 0.000 -0.305 0.000 3/34320 670.0 1.931 3.124 2.119 0.000 -0.301 0.000 3/34320 680.0 1.904 3.077 2.088 0.000 -0.296 0.000 3/34320 690.0 1.877 3.032 2.059 0.000 -0.292 0.000 3/34320 700.0 1.851 2.989 2.030 0.000 -0.288 0.000 3/34320 710.0 1.826 2.946 2.002 0.000 -0.284 0.000 3/34320 720.0 1.802 2.905 1.975 0.000 -0.280 0.000 3/34320 730.0 1.778 2.865 1.948 0.000 -0.276 0.000 3/34320 740.0 1.755 2.827 1.922 0.000 -0.273 0.000 3/34320 750.0 1.732 2.789 1.897 0.000 -0.269 0.000 3/34320 760.0 1.710 2.752 1.873 0.000 -0.266 0.000 3/34320 770.0 1.688 2.716 1.849 0.000 -0.262 0.000 3/34320 780.0 1.668 2.681 1.826 0.000 -0.259 0.000 3/34320 790.0 1.647 2.647 1.803 0.000 -0.256 0.000 3/34320 800.0 1.627 2.614 1.781 0.000 -0.253 0.000 3/34320 810.0 1.608 2.582 1.760 0.000 -0.250 0.000 3/34320 820.0 1.589 2.550 1.739 0.000 -0.247 0.000 3/34320 830.0 1.570 2.520 1.718 0.000 -0.244 0.000 3/34320 840.0 1.552 2.490 1.698 0.000 -0.241 0.000 3/34320 850.0 1.535 2.461 1.679 0.000 -0.238 0.000 3/34320 860.0 1.517 2.432 1.660 0.000 -0.236 0.000 3/34320 870.0 1.500 2.404 1.641 0.000 -0.233 0.000 3/34320 880.0 1.484 2.377 1.623 0.000 -0.230 0.000 3/34320 890.0 1.468 2.350 1.605 0.000 -0.228 0.000 3/34320 900.0 1.452 2.324 1.587 0.000 -0.225 0.000 3/34320 910.0 1.437 2.299 1.570 0.000 -0.223 0.000 3/34320 920.0 1.421 2.274 1.554 0.000 -0.220 0.000 3/34320 930.0 1.407 2.249 1.537 0.000 -0.218 0.000 3/34320 940.0 1.392 2.225 1.521 0.000 -0.216 0.000 3/34320 950.0 1.378 2.202 1.506 0.000 -0.214 0.000 3/34320 960.0 1.364 2.179 1.490 0.000 -0.211 0.000 3/34320 970.0 1.350 2.157 1.475 0.000 -0.209 0.000 3/34320 980.0 1.337 2.135 1.461 0.000 -0.207 0.000 3/34320 990.0 1.324 2.113 1.446 0.000 -0.205 0.000 3/34320 1000.0 1.311 2.092 1.432 0.000 -0.203 0.000 3/34320 Thermal conductivity related properties were written into "kappa-m8115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:17:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|