----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:29:03]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.532119660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.196215059999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.311517180000000 Atomic positions (fractional): *1 O 0.46039110817879 0.58916281744130 0.15464304946673 15.999 2 O 0.53960889182121 0.41083718255870 0.65464304946674 15.999 3 O 0.03960889182121 0.08916281744130 0.65464304946674 15.999 4 O 0.96039110817879 0.91083718255870 0.15464304946673 15.999 *5 O 0.88673829412437 0.33706975736656 0.08083567964459 15.999 6 O 0.38673829412437 0.16293024263344 0.08083567964459 15.999 7 O 0.61326170587563 0.83706975736656 0.58083567964459 15.999 8 O 0.11326170587563 0.66293024263344 0.58083567964459 15.999 *9 Na 0.06830039370254 0.62237750278796 0.01424755192455 22.990 10 Na 0.43169960629746 0.12237750278796 0.51424755192455 22.990 11 Na 0.93169960629746 0.37762249721204 0.51424755192455 22.990 12 Na 0.56830039370254 0.87762249721204 0.01424755192455 22.990 *13 Ga 0.06305866771958 0.12612687474063 0.99977372896411 69.723 14 Ga 0.93694133228042 0.87387312525937 0.49977372896411 69.723 15 Ga 0.43694133228042 0.62612687474063 0.49977372896411 69.723 16 Ga 0.56305866771958 0.37387312525937 0.99977372896411 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.532119660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.196215059999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.311517180000000 Atomic positions (fractional): *1 O 0.46039110817879 0.58916281744130 0.15464304946673 15.999 > 1 2 O 0.53960889182121 0.41083718255870 0.65464304946674 15.999 > 2 3 O 0.03960889182121 0.08916281744130 0.65464304946674 15.999 > 3 4 O 0.96039110817879 0.91083718255870 0.15464304946673 15.999 > 4 *5 O 0.88673829412437 0.33706975736656 0.08083567964459 15.999 > 5 6 O 0.38673829412437 0.16293024263344 0.08083567964459 15.999 > 6 7 O 0.61326170587563 0.83706975736656 0.58083567964459 15.999 > 7 8 O 0.11326170587563 0.66293024263344 0.58083567964459 15.999 > 8 *9 Na 0.06830039370254 0.62237750278796 0.01424755192455 22.990 > 9 10 Na 0.43169960629746 0.12237750278796 0.51424755192455 22.990 > 10 11 Na 0.93169960629746 0.37762249721204 0.51424755192455 22.990 > 11 12 Na 0.56830039370254 0.87762249721204 0.01424755192455 22.990 > 12 *13 Ga 0.06305866771958 0.12612687474063 0.99977372896411 69.723 > 13 14 Ga 0.93694133228042 0.87387312525937 0.49977372896411 69.723 > 14 15 Ga 0.43694133228042 0.62612687474063 0.49977372896411 69.723 > 15 16 Ga 0.56305866771958 0.37387312525937 0.99977372896411 69.723 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.064239320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.392430119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.623034360000000 Atomic positions (fractional): *1 O 0.23019555408939 0.29458140872065 0.07732152473337 15.999 > 1 2 O 0.73019555408939 0.29458140872065 0.07732152473337 15.999 > 1 3 O 0.23019555408939 0.79458140872065 0.07732152473337 15.999 > 1 4 O 0.73019555408939 0.79458140872065 0.07732152473337 15.999 > 1 5 O 0.23019555408939 0.29458140872065 0.57732152473337 15.999 > 1 6 O 0.73019555408939 0.29458140872065 0.57732152473337 15.999 > 1 7 O 0.23019555408939 0.79458140872065 0.57732152473337 15.999 > 1 8 O 0.73019555408939 0.79458140872065 0.57732152473337 15.999 > 1 9 O 0.26980444591061 0.20541859127935 0.32732152473337 15.999 > 2 10 O 0.76980444591061 0.20541859127935 0.32732152473337 15.999 > 2 11 O 0.26980444591061 0.70541859127935 0.32732152473337 15.999 > 2 12 O 0.76980444591061 0.70541859127935 0.32732152473337 15.999 > 2 13 O 0.26980444591061 0.20541859127935 0.82732152473337 15.999 > 2 14 O 0.76980444591061 0.20541859127935 0.82732152473337 15.999 > 2 15 O 0.26980444591061 0.70541859127935 0.82732152473337 15.999 > 2 16 O 0.76980444591061 0.70541859127935 0.82732152473337 15.999 > 2 17 O 0.01980444591061 0.04458140872065 0.32732152473337 15.999 > 3 18 O 0.51980444591061 0.04458140872065 0.32732152473337 15.999 > 3 19 O 0.01980444591061 0.54458140872065 0.32732152473337 15.999 > 3 20 O 0.51980444591061 0.54458140872065 0.32732152473337 15.999 > 3 21 O 0.01980444591061 0.04458140872065 0.82732152473337 15.999 > 3 22 O 0.51980444591061 0.04458140872065 0.82732152473337 15.999 > 3 23 O 0.01980444591061 0.54458140872065 0.82732152473337 15.999 > 3 24 O 0.51980444591061 0.54458140872065 0.82732152473337 15.999 > 3 25 O 0.48019555408939 0.45541859127935 0.07732152473337 15.999 > 4 26 O 0.98019555408939 0.45541859127935 0.07732152473337 15.999 > 4 27 O 0.48019555408939 0.95541859127935 0.07732152473337 15.999 > 4 28 O 0.98019555408939 0.95541859127935 0.07732152473337 15.999 > 4 29 O 0.48019555408939 0.45541859127935 0.57732152473337 15.999 > 4 30 O 0.98019555408939 0.45541859127935 0.57732152473337 15.999 > 4 31 O 0.48019555408939 0.95541859127935 0.57732152473337 15.999 > 4 32 O 0.98019555408939 0.95541859127935 0.57732152473337 15.999 > 4 *33 O 0.44336914706218 0.16853487868328 0.04041783982230 15.999 > 5 34 O 0.94336914706218 0.16853487868328 0.04041783982230 15.999 > 5 35 O 0.44336914706218 0.66853487868328 0.04041783982230 15.999 > 5 36 O 0.94336914706218 0.66853487868328 0.04041783982230 15.999 > 5 37 O 0.44336914706218 0.16853487868328 0.54041783982230 15.999 > 5 38 O 0.94336914706218 0.16853487868328 0.54041783982230 15.999 > 5 39 O 0.44336914706218 0.66853487868328 0.54041783982230 15.999 > 5 40 O 0.94336914706218 0.66853487868328 0.54041783982230 15.999 > 5 41 O 0.19336914706218 0.08146512131672 0.04041783982230 15.999 > 6 42 O 0.69336914706218 0.08146512131672 0.04041783982230 15.999 > 6 43 O 0.19336914706218 0.58146512131672 0.04041783982230 15.999 > 6 44 O 0.69336914706218 0.58146512131672 0.04041783982230 15.999 > 6 45 O 0.19336914706218 0.08146512131672 0.54041783982230 15.999 > 6 46 O 0.69336914706218 0.08146512131672 0.54041783982230 15.999 > 6 47 O 0.19336914706218 0.58146512131672 0.54041783982230 15.999 > 6 48 O 0.69336914706218 0.58146512131672 0.54041783982230 15.999 > 6 49 O 0.30663085293782 0.41853487868328 0.29041783982230 15.999 > 7 50 O 0.80663085293782 0.41853487868328 0.29041783982230 15.999 > 7 51 O 0.30663085293782 0.91853487868328 0.29041783982230 15.999 > 7 52 O 0.80663085293782 0.91853487868328 0.29041783982230 15.999 > 7 53 O 0.30663085293782 0.41853487868328 0.79041783982230 15.999 > 7 54 O 0.80663085293782 0.41853487868328 0.79041783982230 15.999 > 7 55 O 0.30663085293782 0.91853487868328 0.79041783982230 15.999 > 7 56 O 0.80663085293782 0.91853487868328 0.79041783982230 15.999 > 7 57 O 0.05663085293782 0.33146512131672 0.29041783982230 15.999 > 8 58 O 0.55663085293782 0.33146512131672 0.29041783982230 15.999 > 8 59 O 0.05663085293782 0.83146512131672 0.29041783982230 15.999 > 8 60 O 0.55663085293782 0.83146512131672 0.29041783982230 15.999 > 8 61 O 0.05663085293782 0.33146512131672 0.79041783982230 15.999 > 8 62 O 0.55663085293782 0.33146512131672 0.79041783982230 15.999 > 8 63 O 0.05663085293782 0.83146512131672 0.79041783982230 15.999 > 8 64 O 0.55663085293782 0.83146512131672 0.79041783982230 15.999 > 8 *65 Na 0.03415019685127 0.31118875139398 0.00712377596228 22.990 > 9 66 Na 0.53415019685127 0.31118875139398 0.00712377596228 22.990 > 9 67 Na 0.03415019685127 0.81118875139398 0.00712377596228 22.990 > 9 68 Na 0.53415019685127 0.81118875139398 0.00712377596228 22.990 > 9 69 Na 0.03415019685127 0.31118875139398 0.50712377596228 22.990 > 9 70 Na 0.53415019685127 0.31118875139398 0.50712377596228 22.990 > 9 71 Na 0.03415019685127 0.81118875139398 0.50712377596228 22.990 > 9 72 Na 0.53415019685127 0.81118875139398 0.50712377596228 22.990 > 9 73 Na 0.21584980314873 0.06118875139398 0.25712377596228 22.990 > 10 74 Na 0.71584980314873 0.06118875139398 0.25712377596228 22.990 > 10 75 Na 0.21584980314873 0.56118875139398 0.25712377596228 22.990 > 10 76 Na 0.71584980314873 0.56118875139398 0.25712377596228 22.990 > 10 77 Na 0.21584980314873 0.06118875139398 0.75712377596228 22.990 > 10 78 Na 0.71584980314873 0.06118875139398 0.75712377596228 22.990 > 10 79 Na 0.21584980314873 0.56118875139398 0.75712377596228 22.990 > 10 80 Na 0.71584980314873 0.56118875139398 0.75712377596228 22.990 > 10 81 Na 0.46584980314873 0.18881124860602 0.25712377596228 22.990 > 11 82 Na 0.96584980314873 0.18881124860602 0.25712377596228 22.990 > 11 83 Na 0.46584980314873 0.68881124860602 0.25712377596228 22.990 > 11 84 Na 0.96584980314873 0.68881124860602 0.25712377596228 22.990 > 11 85 Na 0.46584980314873 0.18881124860602 0.75712377596228 22.990 > 11 86 Na 0.96584980314873 0.18881124860602 0.75712377596228 22.990 > 11 87 Na 0.46584980314873 0.68881124860602 0.75712377596228 22.990 > 11 88 Na 0.96584980314873 0.68881124860602 0.75712377596228 22.990 > 11 89 Na 0.28415019685127 0.43881124860602 0.00712377596228 22.990 > 12 90 Na 0.78415019685127 0.43881124860602 0.00712377596228 22.990 > 12 91 Na 0.28415019685127 0.93881124860602 0.00712377596228 22.990 > 12 92 Na 0.78415019685127 0.93881124860602 0.00712377596228 22.990 > 12 93 Na 0.28415019685127 0.43881124860602 0.50712377596228 22.990 > 12 94 Na 0.78415019685127 0.43881124860602 0.50712377596228 22.990 > 12 95 Na 0.28415019685127 0.93881124860602 0.50712377596228 22.990 > 12 96 Na 0.78415019685127 0.93881124860602 0.50712377596228 22.990 > 12 *97 Ga 0.03152933385979 0.06306343737032 0.49988686448206 69.723 > 13 98 Ga 0.53152933385979 0.06306343737032 0.49988686448206 69.723 > 13 99 Ga 0.03152933385979 0.56306343737031 0.49988686448206 69.723 > 13 100 Ga 0.53152933385979 0.56306343737031 0.49988686448206 69.723 > 13 101 Ga 0.03152933385979 0.06306343737032 0.99988686448206 69.723 > 13 102 Ga 0.53152933385979 0.06306343737032 0.99988686448206 69.723 > 13 103 Ga 0.03152933385979 0.56306343737031 0.99988686448206 69.723 > 13 104 Ga 0.53152933385979 0.56306343737031 0.99988686448206 69.723 > 13 105 Ga 0.46847066614021 0.43693656262968 0.24988686448206 69.723 > 14 106 Ga 0.96847066614021 0.43693656262968 0.24988686448206 69.723 > 14 107 Ga 0.46847066614021 0.93693656262969 0.24988686448206 69.723 > 14 108 Ga 0.96847066614021 0.93693656262969 0.24988686448206 69.723 > 14 109 Ga 0.46847066614021 0.43693656262968 0.74988686448206 69.723 > 14 110 Ga 0.96847066614021 0.43693656262968 0.74988686448206 69.723 > 14 111 Ga 0.46847066614021 0.93693656262969 0.74988686448206 69.723 > 14 112 Ga 0.96847066614021 0.93693656262969 0.74988686448206 69.723 > 14 113 Ga 0.21847066614021 0.31306343737032 0.24988686448206 69.723 > 15 114 Ga 0.71847066614021 0.31306343737032 0.24988686448206 69.723 > 15 115 Ga 0.21847066614021 0.81306343737031 0.24988686448206 69.723 > 15 116 Ga 0.71847066614021 0.81306343737031 0.24988686448206 69.723 > 15 117 Ga 0.21847066614021 0.31306343737032 0.74988686448206 69.723 > 15 118 Ga 0.71847066614021 0.31306343737032 0.74988686448206 69.723 > 15 119 Ga 0.21847066614021 0.81306343737031 0.74988686448206 69.723 > 15 120 Ga 0.71847066614021 0.81306343737031 0.74988686448206 69.723 > 15 121 Ga 0.28152933385979 0.18693656262968 0.49988686448206 69.723 > 16 122 Ga 0.78152933385979 0.18693656262968 0.49988686448206 69.723 > 16 123 Ga 0.28152933385979 0.68693656262969 0.49988686448206 69.723 > 16 124 Ga 0.78152933385979 0.68693656262969 0.49988686448206 69.723 > 16 125 Ga 0.28152933385979 0.18693656262968 0.99988686448206 69.723 > 16 126 Ga 0.78152933385979 0.18693656262968 0.99988686448206 69.723 > 16 127 Ga 0.28152933385979 0.68693656262969 0.99988686448206 69.723 > 16 128 Ga 0.78152933385979 0.68693656262969 0.99988686448206 69.723 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1623471 0.0000000 0.0000000 0.0000000 3.0591487 0.0000000 0.0000000 0.0000000 3.1276406 -------------------------- Born effective charges -------------------------- 1 O -1.3726970 0.0818663 0.1327555 0.2455955 -1.8094210 -0.4719581 0.1692415 -0.5044371 -2.2797755 2 O -1.3726970 0.0818663 -0.1327555 0.2455955 -1.8094210 0.4719581 -0.1692415 0.5044371 -2.2797755 3 O -1.3726970 -0.0818663 -0.1327555 -0.2455955 -1.8094210 -0.4719581 -0.1692415 -0.5044371 -2.2797755 4 O -1.3726970 -0.0818663 0.1327555 -0.2455955 -1.8094210 0.4719581 0.1692415 0.5044371 -2.2797755 5 O -2.3196592 0.4913618 -0.0658193 0.5176383 -1.7897456 -0.0744767 -0.0179753 -0.0969388 -1.4045743 6 O -2.3196592 -0.4913618 -0.0658193 -0.5176383 -1.7897456 0.0744767 -0.0179753 0.0969388 -1.4045743 7 O -2.3196592 -0.4913618 0.0658193 -0.5176383 -1.7897456 -0.0744767 0.0179753 -0.0969388 -1.4045743 8 O -2.3196592 0.4913618 0.0658193 0.5176383 -1.7897456 0.0744767 0.0179753 0.0969388 -1.4045743 9 Na 1.0263056 0.0377116 0.0057396 -0.0116832 1.0541767 -0.0067240 0.0182505 0.0293977 1.0603843 10 Na 1.0263056 -0.0377116 -0.0057396 0.0116832 1.0541767 -0.0067240 -0.0182505 0.0293977 1.0603843 11 Na 1.0263056 0.0377116 -0.0057396 -0.0116832 1.0541767 0.0067240 -0.0182505 -0.0293977 1.0603843 12 Na 1.0263056 -0.0377116 0.0057396 0.0116832 1.0541767 0.0067240 0.0182505 -0.0293977 1.0603843 13 Ga 2.6660506 -0.2649291 0.0683863 0.2662083 2.5449900 0.2916542 -0.1026032 -0.2885842 2.6239655 14 Ga 2.6660506 -0.2649291 -0.0683863 0.2662083 2.5449900 -0.2916542 0.1026032 0.2885842 2.6239655 15 Ga 2.6660506 0.2649291 -0.0683863 -0.2662083 2.5449900 0.2916542 0.1026032 -0.2885842 2.6239655 16 Ga 2.6660506 0.2649291 0.0683863 -0.2662083 2.5449900 -0.2916542 -0.1026032 0.2885842 2.6239655 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2352 Number of blocks in projector: 2352 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.672 Solver_block: 200 / 480 - Time: 0.625 Solver_block: 300 / 480 - Time: 0.631 Solver_block: 400 / 480 - Time: 0.632 Solver_block: 480 / 480 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.187 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2352 Number of blocks in projector: 2352 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 19:29:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:26]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.532119660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.196215059999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.311517180000000 Atomic positions (fractional): 1 O 0.46039110817879 0.58916281744130 0.15464304946673 15.999 2 O 0.53960889182121 0.41083718255870 0.65464304946674 15.999 3 O 0.03960889182121 0.08916281744130 0.65464304946674 15.999 4 O 0.96039110817879 0.91083718255870 0.15464304946673 15.999 5 O 0.88673829412437 0.33706975736656 0.08083567964459 15.999 6 O 0.38673829412437 0.16293024263344 0.08083567964459 15.999 7 O 0.61326170587563 0.83706975736656 0.58083567964459 15.999 8 O 0.11326170587563 0.66293024263344 0.58083567964459 15.999 9 Na 0.06830039370254 0.62237750278796 0.01424755192455 22.990 10 Na 0.43169960629746 0.12237750278796 0.51424755192455 22.990 11 Na 0.93169960629746 0.37762249721204 0.51424755192455 22.990 12 Na 0.56830039370254 0.87762249721204 0.01424755192455 22.990 13 Ga 0.06305866771958 0.12612687474063 0.99977372896411 69.723 14 Ga 0.93694133228042 0.87387312525937 0.49977372896411 69.723 15 Ga 0.43694133228042 0.62612687474063 0.49977372896411 69.723 16 Ga 0.56305866771958 0.37387312525937 0.99977372896411 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.064239320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.392430119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.623034360000000 Atomic positions (fractional): 1 O 0.23019555408939 0.29458140872065 0.07732152473337 15.999 > 1 2 O 0.73019555408939 0.29458140872065 0.07732152473337 15.999 > 1 3 O 0.23019555408939 0.79458140872065 0.07732152473337 15.999 > 1 4 O 0.73019555408939 0.79458140872065 0.07732152473337 15.999 > 1 5 O 0.23019555408939 0.29458140872065 0.57732152473337 15.999 > 1 6 O 0.73019555408939 0.29458140872065 0.57732152473337 15.999 > 1 7 O 0.23019555408939 0.79458140872065 0.57732152473337 15.999 > 1 8 O 0.73019555408939 0.79458140872065 0.57732152473337 15.999 > 1 9 O 0.26980444591061 0.20541859127935 0.32732152473337 15.999 > 9 10 O 0.76980444591061 0.20541859127935 0.32732152473337 15.999 > 9 11 O 0.26980444591061 0.70541859127935 0.32732152473337 15.999 > 9 12 O 0.76980444591061 0.70541859127935 0.32732152473337 15.999 > 9 13 O 0.26980444591061 0.20541859127935 0.82732152473337 15.999 > 9 14 O 0.76980444591061 0.20541859127935 0.82732152473337 15.999 > 9 15 O 0.26980444591061 0.70541859127935 0.82732152473337 15.999 > 9 16 O 0.76980444591061 0.70541859127935 0.82732152473337 15.999 > 9 17 O 0.01980444591061 0.04458140872065 0.32732152473337 15.999 > 17 18 O 0.51980444591061 0.04458140872065 0.32732152473337 15.999 > 17 19 O 0.01980444591061 0.54458140872065 0.32732152473337 15.999 > 17 20 O 0.51980444591061 0.54458140872065 0.32732152473337 15.999 > 17 21 O 0.01980444591061 0.04458140872065 0.82732152473337 15.999 > 17 22 O 0.51980444591061 0.04458140872065 0.82732152473337 15.999 > 17 23 O 0.01980444591061 0.54458140872065 0.82732152473337 15.999 > 17 24 O 0.51980444591061 0.54458140872065 0.82732152473337 15.999 > 17 25 O 0.48019555408939 0.45541859127935 0.07732152473337 15.999 > 25 26 O 0.98019555408939 0.45541859127935 0.07732152473337 15.999 > 25 27 O 0.48019555408939 0.95541859127935 0.07732152473337 15.999 > 25 28 O 0.98019555408939 0.95541859127935 0.07732152473337 15.999 > 25 29 O 0.48019555408939 0.45541859127935 0.57732152473337 15.999 > 25 30 O 0.98019555408939 0.45541859127935 0.57732152473337 15.999 > 25 31 O 0.48019555408939 0.95541859127935 0.57732152473337 15.999 > 25 32 O 0.98019555408939 0.95541859127935 0.57732152473337 15.999 > 25 33 O 0.44336914706218 0.16853487868328 0.04041783982230 15.999 > 33 34 O 0.94336914706218 0.16853487868328 0.04041783982230 15.999 > 33 35 O 0.44336914706218 0.66853487868328 0.04041783982230 15.999 > 33 36 O 0.94336914706218 0.66853487868328 0.04041783982230 15.999 > 33 37 O 0.44336914706218 0.16853487868328 0.54041783982230 15.999 > 33 38 O 0.94336914706218 0.16853487868328 0.54041783982230 15.999 > 33 39 O 0.44336914706218 0.66853487868328 0.54041783982230 15.999 > 33 40 O 0.94336914706218 0.66853487868328 0.54041783982230 15.999 > 33 41 O 0.19336914706218 0.08146512131672 0.04041783982230 15.999 > 41 42 O 0.69336914706218 0.08146512131672 0.04041783982230 15.999 > 41 43 O 0.19336914706218 0.58146512131672 0.04041783982230 15.999 > 41 44 O 0.69336914706218 0.58146512131672 0.04041783982230 15.999 > 41 45 O 0.19336914706218 0.08146512131672 0.54041783982230 15.999 > 41 46 O 0.69336914706218 0.08146512131672 0.54041783982230 15.999 > 41 47 O 0.19336914706218 0.58146512131672 0.54041783982230 15.999 > 41 48 O 0.69336914706218 0.58146512131672 0.54041783982230 15.999 > 41 49 O 0.30663085293782 0.41853487868328 0.29041783982230 15.999 > 49 50 O 0.80663085293782 0.41853487868328 0.29041783982230 15.999 > 49 51 O 0.30663085293782 0.91853487868328 0.29041783982230 15.999 > 49 52 O 0.80663085293782 0.91853487868328 0.29041783982230 15.999 > 49 53 O 0.30663085293782 0.41853487868328 0.79041783982230 15.999 > 49 54 O 0.80663085293782 0.41853487868328 0.79041783982230 15.999 > 49 55 O 0.30663085293782 0.91853487868328 0.79041783982230 15.999 > 49 56 O 0.80663085293782 0.91853487868328 0.79041783982230 15.999 > 49 57 O 0.05663085293782 0.33146512131672 0.29041783982230 15.999 > 57 58 O 0.55663085293782 0.33146512131672 0.29041783982230 15.999 > 57 59 O 0.05663085293782 0.83146512131672 0.29041783982230 15.999 > 57 60 O 0.55663085293782 0.83146512131672 0.29041783982230 15.999 > 57 61 O 0.05663085293782 0.33146512131672 0.79041783982230 15.999 > 57 62 O 0.55663085293782 0.33146512131672 0.79041783982230 15.999 > 57 63 O 0.05663085293782 0.83146512131672 0.79041783982230 15.999 > 57 64 O 0.55663085293782 0.83146512131672 0.79041783982230 15.999 > 57 65 Na 0.03415019685127 0.31118875139398 0.00712377596228 22.990 > 65 66 Na 0.53415019685127 0.31118875139398 0.00712377596228 22.990 > 65 67 Na 0.03415019685127 0.81118875139398 0.00712377596228 22.990 > 65 68 Na 0.53415019685127 0.81118875139398 0.00712377596228 22.990 > 65 69 Na 0.03415019685127 0.31118875139398 0.50712377596228 22.990 > 65 70 Na 0.53415019685127 0.31118875139398 0.50712377596228 22.990 > 65 71 Na 0.03415019685127 0.81118875139398 0.50712377596228 22.990 > 65 72 Na 0.53415019685127 0.81118875139398 0.50712377596228 22.990 > 65 73 Na 0.21584980314873 0.06118875139398 0.25712377596228 22.990 > 73 74 Na 0.71584980314873 0.06118875139398 0.25712377596228 22.990 > 73 75 Na 0.21584980314873 0.56118875139398 0.25712377596228 22.990 > 73 76 Na 0.71584980314873 0.56118875139398 0.25712377596228 22.990 > 73 77 Na 0.21584980314873 0.06118875139398 0.75712377596228 22.990 > 73 78 Na 0.71584980314873 0.06118875139398 0.75712377596228 22.990 > 73 79 Na 0.21584980314873 0.56118875139398 0.75712377596228 22.990 > 73 80 Na 0.71584980314873 0.56118875139398 0.75712377596228 22.990 > 73 81 Na 0.46584980314873 0.18881124860602 0.25712377596228 22.990 > 81 82 Na 0.96584980314873 0.18881124860602 0.25712377596228 22.990 > 81 83 Na 0.46584980314873 0.68881124860602 0.25712377596228 22.990 > 81 84 Na 0.96584980314873 0.68881124860602 0.25712377596228 22.990 > 81 85 Na 0.46584980314873 0.18881124860602 0.75712377596228 22.990 > 81 86 Na 0.96584980314873 0.18881124860602 0.75712377596228 22.990 > 81 87 Na 0.46584980314873 0.68881124860602 0.75712377596228 22.990 > 81 88 Na 0.96584980314873 0.68881124860602 0.75712377596228 22.990 > 81 89 Na 0.28415019685127 0.43881124860602 0.00712377596228 22.990 > 89 90 Na 0.78415019685127 0.43881124860602 0.00712377596228 22.990 > 89 91 Na 0.28415019685127 0.93881124860602 0.00712377596228 22.990 > 89 92 Na 0.78415019685127 0.93881124860602 0.00712377596228 22.990 > 89 93 Na 0.28415019685127 0.43881124860602 0.50712377596228 22.990 > 89 94 Na 0.78415019685127 0.43881124860602 0.50712377596228 22.990 > 89 95 Na 0.28415019685127 0.93881124860602 0.50712377596228 22.990 > 89 96 Na 0.78415019685127 0.93881124860602 0.50712377596228 22.990 > 89 97 Ga 0.03152933385979 0.06306343737032 0.49988686448206 69.723 > 97 98 Ga 0.53152933385979 0.06306343737032 0.49988686448206 69.723 > 97 99 Ga 0.03152933385979 0.56306343737031 0.49988686448206 69.723 > 97 100 Ga 0.53152933385979 0.56306343737031 0.49988686448206 69.723 > 97 101 Ga 0.03152933385979 0.06306343737032 0.99988686448206 69.723 > 97 102 Ga 0.53152933385979 0.06306343737032 0.99988686448206 69.723 > 97 103 Ga 0.03152933385979 0.56306343737031 0.99988686448206 69.723 > 97 104 Ga 0.53152933385979 0.56306343737031 0.99988686448206 69.723 > 97 105 Ga 0.46847066614021 0.43693656262968 0.24988686448206 69.723 > 105 106 Ga 0.96847066614021 0.43693656262968 0.24988686448206 69.723 > 105 107 Ga 0.46847066614021 0.93693656262969 0.24988686448206 69.723 > 105 108 Ga 0.96847066614021 0.93693656262969 0.24988686448206 69.723 > 105 109 Ga 0.46847066614021 0.43693656262968 0.74988686448206 69.723 > 105 110 Ga 0.96847066614021 0.43693656262968 0.74988686448206 69.723 > 105 111 Ga 0.46847066614021 0.93693656262969 0.74988686448206 69.723 > 105 112 Ga 0.96847066614021 0.93693656262969 0.74988686448206 69.723 > 105 113 Ga 0.21847066614021 0.31306343737032 0.24988686448206 69.723 > 113 114 Ga 0.71847066614021 0.31306343737032 0.24988686448206 69.723 > 113 115 Ga 0.21847066614021 0.81306343737031 0.24988686448206 69.723 > 113 116 Ga 0.71847066614021 0.81306343737031 0.24988686448206 69.723 > 113 117 Ga 0.21847066614021 0.31306343737032 0.74988686448206 69.723 > 113 118 Ga 0.71847066614021 0.31306343737032 0.74988686448206 69.723 > 113 119 Ga 0.21847066614021 0.81306343737031 0.74988686448206 69.723 > 113 120 Ga 0.71847066614021 0.81306343737031 0.74988686448206 69.723 > 113 121 Ga 0.28152933385979 0.18693656262968 0.49988686448206 69.723 > 121 122 Ga 0.78152933385979 0.18693656262968 0.49988686448206 69.723 > 121 123 Ga 0.28152933385979 0.68693656262969 0.49988686448206 69.723 > 121 124 Ga 0.78152933385979 0.68693656262969 0.49988686448206 69.723 > 121 125 Ga 0.28152933385979 0.18693656262968 0.99988686448206 69.723 > 121 126 Ga 0.78152933385979 0.18693656262968 0.99988686448206 69.723 > 121 127 Ga 0.28152933385979 0.68693656262969 0.99988686448206 69.723 > 121 128 Ga 0.78152933385979 0.68693656262969 0.99988686448206 69.723 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1623471 0.0000000 0.0000000 0.0000000 3.0591487 0.0000000 0.0000000 0.0000000 3.1276406 -------------------------- Born effective charges -------------------------- 1 O -1.3726970 0.0818663 0.1327555 0.2455955 -1.8094210 -0.4719581 0.1692415 -0.5044371 -2.2797755 2 O -1.3726970 0.0818663 -0.1327555 0.2455955 -1.8094210 0.4719581 -0.1692415 0.5044371 -2.2797755 3 O -1.3726970 -0.0818663 -0.1327555 -0.2455955 -1.8094210 -0.4719581 -0.1692415 -0.5044371 -2.2797755 4 O -1.3726970 -0.0818663 0.1327555 -0.2455955 -1.8094210 0.4719581 0.1692415 0.5044371 -2.2797755 5 O -2.3196592 0.4913618 -0.0658193 0.5176383 -1.7897456 -0.0744767 -0.0179753 -0.0969388 -1.4045743 6 O -2.3196592 -0.4913618 -0.0658193 -0.5176383 -1.7897456 0.0744767 -0.0179753 0.0969388 -1.4045743 7 O -2.3196592 -0.4913618 0.0658193 -0.5176383 -1.7897456 -0.0744767 0.0179753 -0.0969388 -1.4045743 8 O -2.3196592 0.4913618 0.0658193 0.5176383 -1.7897456 0.0744767 0.0179753 0.0969388 -1.4045743 9 Na 1.0263056 0.0377116 0.0057396 -0.0116832 1.0541767 -0.0067240 0.0182505 0.0293977 1.0603843 10 Na 1.0263056 -0.0377116 -0.0057396 0.0116832 1.0541767 -0.0067240 -0.0182505 0.0293977 1.0603843 11 Na 1.0263056 0.0377116 -0.0057396 -0.0116832 1.0541767 0.0067240 -0.0182505 -0.0293977 1.0603843 12 Na 1.0263056 -0.0377116 0.0057396 0.0116832 1.0541767 0.0067240 0.0182505 -0.0293977 1.0603843 13 Ga 2.6660506 -0.2649291 0.0683863 0.2662083 2.5449900 0.2916542 -0.1026032 -0.2885842 2.6239655 14 Ga 2.6660506 -0.2649291 -0.0683863 0.2662083 2.5449900 -0.2916542 0.1026032 0.2885842 2.6239655 15 Ga 2.6660506 0.2649291 -0.0683863 -0.2662083 2.5449900 0.2916542 0.1026032 -0.2885842 2.6239655 16 Ga 2.6660506 0.2649291 0.0683863 -0.2662083 2.5449900 -0.2916542 -0.1026032 0.2885842 2.6239655 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) 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 2026-01-07 19:29:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:45]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.532119660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.196215059999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.311517180000000 Atomic positions (fractional): 1 O 0.46039110817879 0.58916281744130 0.15464304946673 15.999 2 O 0.53960889182121 0.41083718255870 0.65464304946674 15.999 3 O 0.03960889182121 0.08916281744130 0.65464304946674 15.999 4 O 0.96039110817879 0.91083718255870 0.15464304946673 15.999 5 O 0.88673829412437 0.33706975736656 0.08083567964459 15.999 6 O 0.38673829412437 0.16293024263344 0.08083567964459 15.999 7 O 0.61326170587563 0.83706975736656 0.58083567964459 15.999 8 O 0.11326170587563 0.66293024263344 0.58083567964459 15.999 9 Na 0.06830039370254 0.62237750278796 0.01424755192455 22.990 10 Na 0.43169960629746 0.12237750278796 0.51424755192455 22.990 11 Na 0.93169960629746 0.37762249721204 0.51424755192455 22.990 12 Na 0.56830039370254 0.87762249721204 0.01424755192455 22.990 13 Ga 0.06305866771958 0.12612687474063 0.99977372896411 69.723 14 Ga 0.93694133228042 0.87387312525937 0.49977372896411 69.723 15 Ga 0.43694133228042 0.62612687474063 0.49977372896411 69.723 16 Ga 0.56305866771958 0.37387312525937 0.99977372896411 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.064239320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.392430119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.623034360000000 Atomic positions (fractional): 1 O 0.23019555408939 0.29458140872065 0.07732152473337 15.999 > 1 2 O 0.73019555408939 0.29458140872065 0.07732152473337 15.999 > 1 3 O 0.23019555408939 0.79458140872065 0.07732152473337 15.999 > 1 4 O 0.73019555408939 0.79458140872065 0.07732152473337 15.999 > 1 5 O 0.23019555408939 0.29458140872065 0.57732152473337 15.999 > 1 6 O 0.73019555408939 0.29458140872065 0.57732152473337 15.999 > 1 7 O 0.23019555408939 0.79458140872065 0.57732152473337 15.999 > 1 8 O 0.73019555408939 0.79458140872065 0.57732152473337 15.999 > 1 9 O 0.26980444591061 0.20541859127935 0.32732152473337 15.999 > 9 10 O 0.76980444591061 0.20541859127935 0.32732152473337 15.999 > 9 11 O 0.26980444591061 0.70541859127935 0.32732152473337 15.999 > 9 12 O 0.76980444591061 0.70541859127935 0.32732152473337 15.999 > 9 13 O 0.26980444591061 0.20541859127935 0.82732152473337 15.999 > 9 14 O 0.76980444591061 0.20541859127935 0.82732152473337 15.999 > 9 15 O 0.26980444591061 0.70541859127935 0.82732152473337 15.999 > 9 16 O 0.76980444591061 0.70541859127935 0.82732152473337 15.999 > 9 17 O 0.01980444591061 0.04458140872065 0.32732152473337 15.999 > 17 18 O 0.51980444591061 0.04458140872065 0.32732152473337 15.999 > 17 19 O 0.01980444591061 0.54458140872065 0.32732152473337 15.999 > 17 20 O 0.51980444591061 0.54458140872065 0.32732152473337 15.999 > 17 21 O 0.01980444591061 0.04458140872065 0.82732152473337 15.999 > 17 22 O 0.51980444591061 0.04458140872065 0.82732152473337 15.999 > 17 23 O 0.01980444591061 0.54458140872065 0.82732152473337 15.999 > 17 24 O 0.51980444591061 0.54458140872065 0.82732152473337 15.999 > 17 25 O 0.48019555408939 0.45541859127935 0.07732152473337 15.999 > 25 26 O 0.98019555408939 0.45541859127935 0.07732152473337 15.999 > 25 27 O 0.48019555408939 0.95541859127935 0.07732152473337 15.999 > 25 28 O 0.98019555408939 0.95541859127935 0.07732152473337 15.999 > 25 29 O 0.48019555408939 0.45541859127935 0.57732152473337 15.999 > 25 30 O 0.98019555408939 0.45541859127935 0.57732152473337 15.999 > 25 31 O 0.48019555408939 0.95541859127935 0.57732152473337 15.999 > 25 32 O 0.98019555408939 0.95541859127935 0.57732152473337 15.999 > 25 33 O 0.44336914706218 0.16853487868328 0.04041783982230 15.999 > 33 34 O 0.94336914706218 0.16853487868328 0.04041783982230 15.999 > 33 35 O 0.44336914706218 0.66853487868328 0.04041783982230 15.999 > 33 36 O 0.94336914706218 0.66853487868328 0.04041783982230 15.999 > 33 37 O 0.44336914706218 0.16853487868328 0.54041783982230 15.999 > 33 38 O 0.94336914706218 0.16853487868328 0.54041783982230 15.999 > 33 39 O 0.44336914706218 0.66853487868328 0.54041783982230 15.999 > 33 40 O 0.94336914706218 0.66853487868328 0.54041783982230 15.999 > 33 41 O 0.19336914706218 0.08146512131672 0.04041783982230 15.999 > 41 42 O 0.69336914706218 0.08146512131672 0.04041783982230 15.999 > 41 43 O 0.19336914706218 0.58146512131672 0.04041783982230 15.999 > 41 44 O 0.69336914706218 0.58146512131672 0.04041783982230 15.999 > 41 45 O 0.19336914706218 0.08146512131672 0.54041783982230 15.999 > 41 46 O 0.69336914706218 0.08146512131672 0.54041783982230 15.999 > 41 47 O 0.19336914706218 0.58146512131672 0.54041783982230 15.999 > 41 48 O 0.69336914706218 0.58146512131672 0.54041783982230 15.999 > 41 49 O 0.30663085293782 0.41853487868328 0.29041783982230 15.999 > 49 50 O 0.80663085293782 0.41853487868328 0.29041783982230 15.999 > 49 51 O 0.30663085293782 0.91853487868328 0.29041783982230 15.999 > 49 52 O 0.80663085293782 0.91853487868328 0.29041783982230 15.999 > 49 53 O 0.30663085293782 0.41853487868328 0.79041783982230 15.999 > 49 54 O 0.80663085293782 0.41853487868328 0.79041783982230 15.999 > 49 55 O 0.30663085293782 0.91853487868328 0.79041783982230 15.999 > 49 56 O 0.80663085293782 0.91853487868328 0.79041783982230 15.999 > 49 57 O 0.05663085293782 0.33146512131672 0.29041783982230 15.999 > 57 58 O 0.55663085293782 0.33146512131672 0.29041783982230 15.999 > 57 59 O 0.05663085293782 0.83146512131672 0.29041783982230 15.999 > 57 60 O 0.55663085293782 0.83146512131672 0.29041783982230 15.999 > 57 61 O 0.05663085293782 0.33146512131672 0.79041783982230 15.999 > 57 62 O 0.55663085293782 0.33146512131672 0.79041783982230 15.999 > 57 63 O 0.05663085293782 0.83146512131672 0.79041783982230 15.999 > 57 64 O 0.55663085293782 0.83146512131672 0.79041783982230 15.999 > 57 65 Na 0.03415019685127 0.31118875139398 0.00712377596228 22.990 > 65 66 Na 0.53415019685127 0.31118875139398 0.00712377596228 22.990 > 65 67 Na 0.03415019685127 0.81118875139398 0.00712377596228 22.990 > 65 68 Na 0.53415019685127 0.81118875139398 0.00712377596228 22.990 > 65 69 Na 0.03415019685127 0.31118875139398 0.50712377596228 22.990 > 65 70 Na 0.53415019685127 0.31118875139398 0.50712377596228 22.990 > 65 71 Na 0.03415019685127 0.81118875139398 0.50712377596228 22.990 > 65 72 Na 0.53415019685127 0.81118875139398 0.50712377596228 22.990 > 65 73 Na 0.21584980314873 0.06118875139398 0.25712377596228 22.990 > 73 74 Na 0.71584980314873 0.06118875139398 0.25712377596228 22.990 > 73 75 Na 0.21584980314873 0.56118875139398 0.25712377596228 22.990 > 73 76 Na 0.71584980314873 0.56118875139398 0.25712377596228 22.990 > 73 77 Na 0.21584980314873 0.06118875139398 0.75712377596228 22.990 > 73 78 Na 0.71584980314873 0.06118875139398 0.75712377596228 22.990 > 73 79 Na 0.21584980314873 0.56118875139398 0.75712377596228 22.990 > 73 80 Na 0.71584980314873 0.56118875139398 0.75712377596228 22.990 > 73 81 Na 0.46584980314873 0.18881124860602 0.25712377596228 22.990 > 81 82 Na 0.96584980314873 0.18881124860602 0.25712377596228 22.990 > 81 83 Na 0.46584980314873 0.68881124860602 0.25712377596228 22.990 > 81 84 Na 0.96584980314873 0.68881124860602 0.25712377596228 22.990 > 81 85 Na 0.46584980314873 0.18881124860602 0.75712377596228 22.990 > 81 86 Na 0.96584980314873 0.18881124860602 0.75712377596228 22.990 > 81 87 Na 0.46584980314873 0.68881124860602 0.75712377596228 22.990 > 81 88 Na 0.96584980314873 0.68881124860602 0.75712377596228 22.990 > 81 89 Na 0.28415019685127 0.43881124860602 0.00712377596228 22.990 > 89 90 Na 0.78415019685127 0.43881124860602 0.00712377596228 22.990 > 89 91 Na 0.28415019685127 0.93881124860602 0.00712377596228 22.990 > 89 92 Na 0.78415019685127 0.93881124860602 0.00712377596228 22.990 > 89 93 Na 0.28415019685127 0.43881124860602 0.50712377596228 22.990 > 89 94 Na 0.78415019685127 0.43881124860602 0.50712377596228 22.990 > 89 95 Na 0.28415019685127 0.93881124860602 0.50712377596228 22.990 > 89 96 Na 0.78415019685127 0.93881124860602 0.50712377596228 22.990 > 89 97 Ga 0.03152933385979 0.06306343737032 0.49988686448206 69.723 > 97 98 Ga 0.53152933385979 0.06306343737032 0.49988686448206 69.723 > 97 99 Ga 0.03152933385979 0.56306343737031 0.49988686448206 69.723 > 97 100 Ga 0.53152933385979 0.56306343737031 0.49988686448206 69.723 > 97 101 Ga 0.03152933385979 0.06306343737032 0.99988686448206 69.723 > 97 102 Ga 0.53152933385979 0.06306343737032 0.99988686448206 69.723 > 97 103 Ga 0.03152933385979 0.56306343737031 0.99988686448206 69.723 > 97 104 Ga 0.53152933385979 0.56306343737031 0.99988686448206 69.723 > 97 105 Ga 0.46847066614021 0.43693656262968 0.24988686448206 69.723 > 105 106 Ga 0.96847066614021 0.43693656262968 0.24988686448206 69.723 > 105 107 Ga 0.46847066614021 0.93693656262969 0.24988686448206 69.723 > 105 108 Ga 0.96847066614021 0.93693656262969 0.24988686448206 69.723 > 105 109 Ga 0.46847066614021 0.43693656262968 0.74988686448206 69.723 > 105 110 Ga 0.96847066614021 0.43693656262968 0.74988686448206 69.723 > 105 111 Ga 0.46847066614021 0.93693656262969 0.74988686448206 69.723 > 105 112 Ga 0.96847066614021 0.93693656262969 0.74988686448206 69.723 > 105 113 Ga 0.21847066614021 0.31306343737032 0.24988686448206 69.723 > 113 114 Ga 0.71847066614021 0.31306343737032 0.24988686448206 69.723 > 113 115 Ga 0.21847066614021 0.81306343737031 0.24988686448206 69.723 > 113 116 Ga 0.71847066614021 0.81306343737031 0.24988686448206 69.723 > 113 117 Ga 0.21847066614021 0.31306343737032 0.74988686448206 69.723 > 113 118 Ga 0.71847066614021 0.31306343737032 0.74988686448206 69.723 > 113 119 Ga 0.21847066614021 0.81306343737031 0.74988686448206 69.723 > 113 120 Ga 0.71847066614021 0.81306343737031 0.74988686448206 69.723 > 113 121 Ga 0.28152933385979 0.18693656262968 0.49988686448206 69.723 > 121 122 Ga 0.78152933385979 0.18693656262968 0.49988686448206 69.723 > 121 123 Ga 0.28152933385979 0.68693656262969 0.49988686448206 69.723 > 121 124 Ga 0.78152933385979 0.68693656262969 0.49988686448206 69.723 > 121 125 Ga 0.28152933385979 0.18693656262968 0.99988686448206 69.723 > 121 126 Ga 0.78152933385979 0.18693656262968 0.99988686448206 69.723 > 121 127 Ga 0.28152933385979 0.68693656262969 0.99988686448206 69.723 > 121 128 Ga 0.78152933385979 0.68693656262969 0.99988686448206 69.723 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1623471 0.0000000 0.0000000 0.0000000 3.0591487 0.0000000 0.0000000 0.0000000 3.1276406 -------------------------- Born effective charges -------------------------- 1 O -1.3726970 0.0818663 0.1327555 0.2455955 -1.8094210 -0.4719581 0.1692415 -0.5044371 -2.2797755 2 O -1.3726970 0.0818663 -0.1327555 0.2455955 -1.8094210 0.4719581 -0.1692415 0.5044371 -2.2797755 3 O -1.3726970 -0.0818663 -0.1327555 -0.2455955 -1.8094210 -0.4719581 -0.1692415 -0.5044371 -2.2797755 4 O -1.3726970 -0.0818663 0.1327555 -0.2455955 -1.8094210 0.4719581 0.1692415 0.5044371 -2.2797755 5 O -2.3196592 0.4913618 -0.0658193 0.5176383 -1.7897456 -0.0744767 -0.0179753 -0.0969388 -1.4045743 6 O -2.3196592 -0.4913618 -0.0658193 -0.5176383 -1.7897456 0.0744767 -0.0179753 0.0969388 -1.4045743 7 O -2.3196592 -0.4913618 0.0658193 -0.5176383 -1.7897456 -0.0744767 0.0179753 -0.0969388 -1.4045743 8 O -2.3196592 0.4913618 0.0658193 0.5176383 -1.7897456 0.0744767 0.0179753 0.0969388 -1.4045743 9 Na 1.0263056 0.0377116 0.0057396 -0.0116832 1.0541767 -0.0067240 0.0182505 0.0293977 1.0603843 10 Na 1.0263056 -0.0377116 -0.0057396 0.0116832 1.0541767 -0.0067240 -0.0182505 0.0293977 1.0603843 11 Na 1.0263056 0.0377116 -0.0057396 -0.0116832 1.0541767 0.0067240 -0.0182505 -0.0293977 1.0603843 12 Na 1.0263056 -0.0377116 0.0057396 0.0116832 1.0541767 0.0067240 0.0182505 -0.0293977 1.0603843 13 Ga 2.6660506 -0.2649291 0.0683863 0.2662083 2.5449900 0.2916542 -0.1026032 -0.2885842 2.6239655 14 Ga 2.6660506 -0.2649291 -0.0683863 0.2662083 2.5449900 -0.2916542 0.1026032 0.2885842 2.6239655 15 Ga 2.6660506 0.2649291 -0.0683863 -0.2662083 2.5449900 0.2916542 0.1026032 -0.2885842 2.6239655 16 Ga 2.6660506 0.2649291 0.0683863 -0.2662083 2.5449900 -0.2916542 -0.1026032 0.2885842 2.6239655 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 7 9 ] 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: 0.70, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 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 3.127 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 0.000) 0.000 19.269 ( 0.000 0.000 0.000) 0.000 19.531 ( 0.000 0.000 0.000) 0.000 19.740 ( 0.000 0.000 0.000) 0.000 21.246 ( 0.000 0.000 0.000) 0.000 21.682 ( 0.000 0.000 0.000) 0.000 21.750 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 26.114 0.000 0.000) 26.114 0.700 ( 34.411 0.000 0.000) 34.411 1.074 ( 51.080 0.000 0.000) 51.080 3.159 ( 2.432 0.000 0.000) 2.432 3.418 ( 17.971 0.000 0.000) 17.971 3.437 ( -3.858 0.000 0.000) 3.858 4.126 ( -12.105 0.000 0.000) 12.105 4.239 ( -12.868 0.000 0.000) 12.868 4.474 ( -22.423 0.000 0.000) 22.423 4.781 ( 1.674 0.000 0.000) 1.674 4.872 ( 1.188 0.000 0.000) 1.188 5.445 ( -16.962 0.000 0.000) 16.962 5.620 ( -9.685 0.000 0.000) 9.685 5.854 ( -2.699 0.000 0.000) 2.699 5.909 ( -6.114 0.000 0.000) 6.114 6.004 ( 4.817 0.000 0.000) 4.817 6.465 ( 8.937 0.000 0.000) 8.937 6.664 ( 5.685 0.000 0.000) 5.685 6.690 ( 4.646 0.000 0.000) 4.646 7.111 ( 2.089 0.000 0.000) 2.089 7.650 ( -3.921 0.000 0.000) 3.921 7.713 ( 7.951 0.000 0.000) 7.951 7.958 ( 7.667 0.000 0.000) 7.667 8.090 ( 1.263 0.000 0.000) 1.263 8.235 ( -2.612 0.000 0.000) 2.612 8.371 ( 1.987 0.000 0.000) 1.987 8.450 ( 1.316 0.000 0.000) 1.316 8.452 ( -5.054 0.000 0.000) 5.054 9.080 ( -1.025 0.000 0.000) 1.025 9.348 ( -6.840 0.000 0.000) 6.840 10.217 ( 5.037 0.000 0.000) 5.037 10.725 ( -2.919 0.000 0.000) 2.919 12.589 ( 0.032 0.000 0.000) 0.032 12.728 ( 0.927 0.000 0.000) 0.927 13.542 ( 2.398 0.000 0.000) 2.398 14.040 ( 3.234 0.000 0.000) 3.234 14.127 ( -1.772 0.000 0.000) 1.772 14.337 ( 2.137 0.000 0.000) 2.137 14.927 ( 0.420 0.000 0.000) 0.420 15.205 ( -3.210 0.000 0.000) 3.210 18.760 ( 2.136 0.000 0.000) 2.136 19.247 ( -2.046 0.000 0.000) 2.046 19.540 ( 0.811 0.000 0.000) 0.811 19.731 ( -0.850 0.000 0.000) 0.850 21.187 ( 0.142 0.000 0.000) 0.142 21.241 ( -0.536 0.000 0.000) 0.536 21.696 ( 1.382 0.000 0.000) 1.382 22.097 ( -1.407 0.000 0.000) 1.407 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 25.353 0.000 0.000) 25.353 1.373 ( 32.281 0.000 0.000) 32.281 1.972 ( 34.200 0.000 0.000) 34.200 3.158 ( -4.840 0.000 0.000) 4.840 3.377 ( 1.367 0.000 0.000) 1.367 3.723 ( -27.978 0.000 0.000) 27.978 3.828 ( 7.702 0.000 0.000) 7.702 4.025 ( 6.246 0.000 0.000) 6.246 4.093 ( -11.112 0.000 0.000) 11.112 4.815 ( 0.360 0.000 0.000) 0.360 4.865 ( -2.528 0.000 0.000) 2.528 5.096 ( -14.215 0.000 0.000) 14.215 5.322 ( -15.883 0.000 0.000) 15.883 5.762 ( -8.534 0.000 0.000) 8.534 5.856 ( 2.484 0.000 0.000) 2.484 6.093 ( 2.894 0.000 0.000) 2.894 6.521 ( -7.553 0.000 0.000) 7.553 6.690 ( -0.831 0.000 0.000) 0.831 6.812 ( 6.409 0.000 0.000) 6.409 7.223 ( 6.474 0.000 0.000) 6.474 7.639 ( 3.189 0.000 0.000) 3.189 7.862 ( 5.994 0.000 0.000) 5.994 8.046 ( -0.507 0.000 0.000) 0.507 8.119 ( 1.297 0.000 0.000) 1.297 8.201 ( 0.066 0.000 0.000) 0.066 8.339 ( -3.757 0.000 0.000) 3.757 8.403 ( 0.903 0.000 0.000) 0.903 8.509 ( 4.191 0.000 0.000) 4.191 9.051 ( -1.695 0.000 0.000) 1.695 9.216 ( -5.419 0.000 0.000) 5.419 10.324 ( 5.054 0.000 0.000) 5.054 10.653 ( -3.852 0.000 0.000) 3.852 12.593 ( 0.431 0.000 0.000) 0.431 12.740 ( -0.006 0.000 0.000) 0.006 13.609 ( 4.041 0.000 0.000) 4.041 14.075 ( -3.341 0.000 0.000) 3.341 14.143 ( 6.967 0.000 0.000) 6.967 14.400 ( 4.017 0.000 0.000) 4.017 14.927 ( -0.770 0.000 0.000) 0.770 15.114 ( -5.609 0.000 0.000) 5.609 18.818 ( 3.490 0.000 0.000) 3.490 19.193 ( -3.183 0.000 0.000) 3.183 19.560 ( 1.140 0.000 0.000) 1.140 19.708 ( -1.430 0.000 0.000) 1.430 21.191 ( 0.272 0.000 0.000) 0.272 21.228 ( -0.665 0.000 0.000) 0.665 21.735 ( 2.382 0.000 0.000) 2.382 22.056 ( -2.604 0.000 0.000) 2.604 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 24.601 0.000 0.000) 24.601 1.978 ( 27.073 0.000 0.000) 27.073 2.306 ( 1.773 0.000 0.000) 1.773 2.926 ( -17.160 0.000 0.000) 17.160 3.139 ( -26.823 0.000 0.000) 26.823 3.440 ( -6.592 0.000 0.000) 6.592 3.860 ( 15.649 0.000 0.000) 15.649 3.985 ( -2.493 0.000 0.000) 2.493 4.360 ( 7.091 0.000 0.000) 7.091 4.737 ( -4.161 0.000 0.000) 4.161 4.921 ( 18.363 0.000 0.000) 18.363 5.012 ( 3.556 0.000 0.000) 3.556 5.112 ( -4.910 0.000 0.000) 4.910 5.565 ( -10.814 0.000 0.000) 10.814 5.941 ( 5.740 0.000 0.000) 5.740 6.031 ( -13.564 0.000 0.000) 13.564 6.274 ( -10.973 0.000 0.000) 10.973 6.597 ( -9.806 0.000 0.000) 9.806 6.920 ( 4.139 0.000 0.000) 4.139 7.218 ( -7.361 0.000 0.000) 7.361 7.775 ( 9.026 0.000 0.000) 9.026 7.948 ( 2.664 0.000 0.000) 2.664 8.026 ( 0.947 0.000 0.000) 0.947 8.131 ( -0.218 0.000 0.000) 0.218 8.199 ( 1.183 0.000 0.000) 1.183 8.358 ( 3.396 0.000 0.000) 3.396 8.414 ( 0.298 0.000 0.000) 0.298 8.566 ( 0.121 0.000 0.000) 0.121 9.027 ( -0.088 0.000 0.000) 0.088 9.138 ( -2.659 0.000 0.000) 2.659 10.412 ( 3.714 0.000 0.000) 3.714 10.582 ( -3.168 0.000 0.000) 3.168 12.609 ( 1.199 0.000 0.000) 1.199 12.724 ( -1.512 0.000 0.000) 1.512 13.698 ( 4.718 0.000 0.000) 4.718 13.996 ( -4.474 0.000 0.000) 4.474 14.312 ( 9.495 0.000 0.000) 9.495 14.492 ( 4.940 0.000 0.000) 4.940 14.888 ( -3.162 0.000 0.000) 3.162 14.988 ( -6.691 0.000 0.000) 6.691 18.894 ( 3.940 0.000 0.000) 3.940 19.124 ( -3.617 0.000 0.000) 3.617 19.585 ( 1.288 0.000 0.000) 1.288 19.676 ( -1.654 0.000 0.000) 1.654 21.197 ( 0.323 0.000 0.000) 0.323 21.216 ( -0.473 0.000 0.000) 0.473 21.789 ( 3.003 0.000 0.000) 3.003 21.995 ( -3.364 0.000 0.000) 3.364 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 23.854 0.000 0.000) 23.854 2.292 ( 1.025 0.000 0.000) 1.025 2.332 ( 2.654 0.000 0.000) 2.654 2.504 ( -23.350 0.000 0.000) 23.350 2.865 ( 5.839 0.000 0.000) 5.839 3.169 ( -17.127 0.000 0.000) 17.127 3.939 ( -1.150 0.000 0.000) 1.150 3.982 ( -4.444 0.000 0.000) 4.444 4.658 ( 19.503 0.000 0.000) 19.503 4.748 ( 3.348 0.000 0.000) 3.348 5.080 ( 6.352 0.000 0.000) 6.352 5.127 ( 6.950 0.000 0.000) 6.950 5.347 ( -9.113 0.000 0.000) 9.113 5.518 ( 32.107 0.000 0.000) 32.107 5.565 ( -27.877 0.000 0.000) 27.877 6.059 ( -17.066 0.000 0.000) 17.066 6.081 ( 8.206 0.000 0.000) 8.206 6.302 ( -15.722 0.000 0.000) 15.722 6.985 ( 2.763 0.000 0.000) 2.763 7.061 ( -5.782 0.000 0.000) 5.782 7.924 ( 4.849 0.000 0.000) 4.849 7.972 ( -0.316 0.000 0.000) 0.316 8.067 ( 2.260 0.000 0.000) 2.260 8.109 ( -1.819 0.000 0.000) 1.819 8.297 ( 7.778 0.000 0.000) 7.778 8.408 ( -1.569 0.000 0.000) 1.569 8.418 ( 2.443 0.000 0.000) 2.443 8.498 ( -5.919 0.000 0.000) 5.919 9.052 ( 2.098 0.000 0.000) 2.098 9.094 ( -1.992 0.000 0.000) 1.992 10.475 ( 2.693 0.000 0.000) 2.693 10.526 ( -2.488 0.000 0.000) 2.488 12.641 ( 1.968 0.000 0.000) 1.968 12.685 ( -2.211 0.000 0.000) 2.211 13.797 ( 5.078 0.000 0.000) 5.078 13.899 ( -5.073 0.000 0.000) 5.073 14.497 ( 7.962 0.000 0.000) 7.962 14.572 ( 1.521 0.000 0.000) 1.521 14.819 ( -2.157 0.000 0.000) 2.157 14.860 ( -5.419 0.000 0.000) 5.419 18.973 ( 3.904 0.000 0.000) 3.904 19.050 ( -3.776 0.000 0.000) 3.776 19.612 ( 1.457 0.000 0.000) 1.457 19.643 ( -1.615 0.000 0.000) 1.615 21.203 ( 0.280 0.000 0.000) 0.280 21.209 ( -0.291 0.000 0.000) 0.291 21.854 ( 3.400 0.000 0.000) 3.400 21.925 ( -3.583 0.000 0.000) 3.583 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 34.517 0.000) 34.517 0.700 ( 0.000 35.010 0.000) 35.010 1.141 ( 0.000 56.481 0.000) 56.481 3.184 ( 0.000 2.948 0.000) 2.948 3.233 ( 0.000 -0.537 0.000) 0.537 3.639 ( 0.000 13.390 0.000) 13.390 4.130 ( 0.000 -16.104 0.000) 16.104 4.243 ( 0.000 0.993 0.000) 0.993 4.555 ( 0.000 -4.074 0.000) 4.074 5.039 ( 0.000 18.621 0.000) 18.621 5.144 ( 0.000 12.540 0.000) 12.540 5.461 ( 0.000 -11.062 0.000) 11.062 5.562 ( 0.000 -11.223 0.000) 11.223 5.843 ( 0.000 -5.856 0.000) 5.856 5.975 ( 0.000 4.849 0.000) 4.849 6.065 ( 0.000 10.933 0.000) 10.933 6.446 ( 0.000 7.627 0.000) 7.627 6.505 ( 0.000 -5.804 0.000) 5.804 6.664 ( 0.000 2.129 0.000) 2.129 7.054 ( 0.000 -5.684 0.000) 5.684 7.553 ( 0.000 -6.049 0.000) 6.049 7.706 ( 0.000 -9.349 0.000) 9.349 7.815 ( 0.000 -11.745 0.000) 11.745 8.036 ( 0.000 -4.768 0.000) 4.768 8.144 ( 0.000 -7.361 0.000) 7.361 8.279 ( 0.000 -7.598 0.000) 7.598 8.530 ( 0.000 8.766 0.000) 8.766 8.759 ( 0.000 13.453 0.000) 13.453 8.999 ( 0.000 6.613 0.000) 6.613 9.319 ( 0.000 -8.172 0.000) 8.172 9.710 ( 0.000 4.104 0.000) 4.104 10.142 ( 0.000 -3.260 0.000) 3.260 12.593 ( 0.000 0.498 0.000) 0.498 12.717 ( 0.000 0.010 0.000) 0.010 13.087 ( 0.000 3.316 0.000) 3.316 13.503 ( 0.000 -1.518 0.000) 1.518 14.187 ( 0.000 1.477 0.000) 1.477 14.784 ( 0.000 -10.033 0.000) 10.033 15.364 ( 0.000 10.476 0.000) 10.476 15.953 ( 0.000 -0.989 0.000) 0.989 18.747 ( 0.000 0.927 0.000) 0.927 18.969 ( 0.000 -1.698 0.000) 1.698 19.548 ( 0.000 1.581 0.000) 1.581 19.734 ( 0.000 -0.648 0.000) 0.648 21.255 ( 0.000 0.879 0.000) 0.879 21.420 ( 0.000 -0.768 0.000) 0.768 21.760 ( 0.000 0.981 0.000) 0.981 21.896 ( 0.000 -0.596 0.000) 0.596 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 14.115 18.923 0.000) 23.607 0.883 ( 15.982 26.790 0.000) 31.196 1.694 ( 38.819 42.997 0.000) 57.928 3.126 ( -1.019 -4.239 0.000) 4.360 3.387 ( 10.038 -5.353 0.000) 11.377 3.593 ( -4.255 13.485 0.000) 14.140 3.927 ( -13.069 -12.166 0.000) 17.855 4.273 ( 0.172 10.273 0.000) 10.275 4.522 ( -3.098 -7.549 0.000) 8.160 4.790 ( -19.992 15.935 0.000) 25.566 5.116 ( -4.888 7.386 0.000) 8.856 5.299 ( -12.283 -8.585 0.000) 14.986 5.601 ( -0.532 -2.021 0.000) 2.090 5.859 ( -4.534 -0.367 0.000) 4.549 5.929 ( -1.888 3.838 0.000) 4.277 6.079 ( 2.328 5.108 0.000) 5.613 6.447 ( 3.009 -0.334 0.000) 3.028 6.619 ( 5.562 -3.753 0.000) 6.709 6.737 ( 6.615 3.987 0.000) 7.723 7.050 ( 1.808 -6.197 0.000) 6.456 7.588 ( -4.624 -6.037 0.000) 7.605 7.649 ( 6.175 -6.960 0.000) 9.304 7.821 ( 3.336 -10.862 0.000) 11.363 8.032 ( -1.422 -8.010 0.000) 8.135 8.252 ( -1.059 -2.122 0.000) 2.372 8.279 ( 4.745 -6.258 0.000) 7.853 8.506 ( -0.837 10.395 0.000) 10.429 8.618 ( -3.719 9.596 0.000) 10.292 9.100 ( 0.486 2.885 0.000) 2.925 9.299 ( -4.790 -5.119 0.000) 7.010 10.177 ( 15.619 -11.997 0.000) 19.695 10.203 ( 12.054 -17.163 0.000) 20.973 12.598 ( 0.245 0.797 0.000) 0.834 12.723 ( 0.810 -0.219 0.000) 0.839 13.335 ( 17.266 -11.392 0.000) 20.686 13.544 ( 4.673 -1.927 0.000) 5.054 14.172 ( -1.435 1.462 0.000) 2.049 14.761 ( -2.489 -9.490 0.000) 9.811 15.330 ( -5.508 14.454 0.000) 15.467 15.419 ( -26.233 28.002 0.000) 38.370 18.744 ( 1.657 -0.446 0.000) 1.716 19.135 ( 6.407 -7.075 0.000) 9.545 19.534 ( -0.660 0.937 0.000) 1.146 19.730 ( -0.575 -0.507 0.000) 0.767 21.243 ( -1.212 0.892 0.000) 1.505 21.297 ( -5.390 5.036 0.000) 7.377 21.713 ( 0.130 1.667 0.000) 1.672 22.029 ( 3.689 -4.462 0.000) 5.790 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 23.547 0.644 0.000) 23.556 1.297 ( 24.309 11.230 0.000) 26.778 2.439 ( 30.209 34.171 0.000) 45.610 3.061 ( -6.932 -9.650 0.000) 11.882 3.350 ( -15.748 -17.043 0.000) 23.205 3.543 ( 2.161 9.717 0.000) 9.955 3.906 ( 10.124 1.421 0.000) 10.224 4.248 ( -22.541 12.729 0.000) 25.887 4.308 ( 6.962 21.318 0.000) 22.426 4.591 ( 1.270 -10.912 0.000) 10.985 4.906 ( -13.328 -4.415 0.000) 14.040 5.111 ( -5.909 2.445 0.000) 6.395 5.390 ( -17.266 5.558 0.000) 18.138 5.843 ( -6.832 6.170 0.000) 9.206 5.853 ( 4.097 2.351 0.000) 4.723 6.130 ( 1.377 1.739 0.000) 2.218 6.501 ( -2.156 -2.780 0.000) 3.518 6.635 ( -2.387 -2.828 0.000) 3.700 6.852 ( 4.141 2.727 0.000) 4.958 7.178 ( 8.716 -5.099 0.000) 10.098 7.553 ( 1.769 -7.283 0.000) 7.494 7.757 ( 2.873 -9.896 0.000) 10.305 7.909 ( 5.019 -12.160 0.000) 13.155 7.948 ( -6.044 -12.122 0.000) 13.545 8.219 ( -0.829 1.073 0.000) 1.355 8.381 ( 4.540 -1.030 0.000) 4.656 8.508 ( 0.670 9.126 0.000) 9.151 8.579 ( -0.594 6.943 0.000) 6.968 9.078 ( -1.981 2.723 0.000) 3.367 9.196 ( -4.297 -2.175 0.000) 4.816 10.281 ( 4.211 -4.692 0.000) 6.305 10.430 ( 4.275 -17.232 0.000) 17.755 12.604 ( 0.466 1.093 0.000) 1.189 12.736 ( 0.151 -0.250 0.000) 0.292 13.567 ( 6.688 -4.454 0.000) 8.035 13.747 ( 13.841 -11.370 0.000) 17.912 14.134 ( -2.151 1.264 0.000) 2.495 14.681 ( -4.926 -5.428 0.000) 7.330 15.045 ( -8.989 24.286 0.000) 25.896 15.273 ( -4.524 10.620 0.000) 11.544 18.803 ( 3.816 -0.817 0.000) 3.902 19.178 ( -0.855 -2.041 0.000) 2.213 19.535 ( 0.748 -1.186 0.000) 1.402 19.709 ( -1.468 -0.282 0.000) 1.495 21.215 ( -1.125 1.183 0.000) 1.633 21.239 ( -1.604 1.584 0.000) 2.255 21.740 ( 2.174 0.775 0.000) 2.308 22.045 ( -1.188 -1.352 0.000) 1.800 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 21.579 -1.615 0.000) 21.640 1.787 ( 22.461 -0.077 0.000) 22.461 2.740 ( 3.948 13.892 0.000) 14.442 2.842 ( -15.944 1.921 0.000) 16.059 2.959 ( -19.847 -5.118 0.000) 20.496 3.706 ( -7.134 15.967 0.000) 17.488 3.942 ( 8.858 7.346 0.000) 11.508 4.038 ( 5.230 5.928 0.000) 7.906 4.421 ( -4.903 5.866 0.000) 7.645 4.726 ( -2.058 -0.912 0.000) 2.251 4.783 ( 18.375 -11.481 0.000) 21.667 5.084 ( -1.601 5.991 0.000) 6.201 5.120 ( 2.127 2.519 0.000) 3.297 5.637 ( -12.491 5.839 0.000) 13.788 5.976 ( 4.715 4.240 0.000) 6.341 6.045 ( -10.645 1.271 0.000) 10.721 6.359 ( -7.339 6.758 0.000) 9.977 6.534 ( -9.979 -5.598 0.000) 11.442 6.927 ( 3.550 0.491 0.000) 3.584 7.224 ( -5.784 0.563 0.000) 5.812 7.654 ( 7.679 -11.801 0.000) 14.080 7.805 ( 3.474 -13.985 0.000) 14.410 7.880 ( -0.074 -9.707 0.000) 9.707 7.981 ( 1.540 -12.146 0.000) 12.243 8.224 ( 1.688 1.612 0.000) 2.334 8.443 ( 1.469 2.149 0.000) 2.603 8.527 ( 0.871 8.541 0.000) 8.585 8.577 ( -0.322 3.879 0.000) 3.892 9.042 ( -0.901 1.026 0.000) 1.366 9.135 ( -2.117 -0.160 0.000) 2.123 10.353 ( 2.980 -6.159 0.000) 6.842 10.458 ( -0.295 -10.496 0.000) 10.500 12.620 ( 1.136 1.082 0.000) 1.569 12.724 ( -1.304 0.074 0.000) 1.306 13.691 ( 6.107 -0.383 0.000) 6.119 13.967 ( 4.163 -4.237 0.000) 5.940 14.127 ( 4.799 -5.430 0.000) 7.247 14.586 ( -4.566 -6.256 0.000) 7.745 14.946 ( -1.951 15.543 0.000) 15.665 15.169 ( -5.750 10.855 0.000) 12.284 18.887 ( 4.457 -0.213 0.000) 4.462 19.134 ( -3.158 0.463 0.000) 3.192 19.559 ( 1.501 -1.969 0.000) 2.476 19.674 ( -1.951 -0.505 0.000) 2.016 21.201 ( -0.384 0.141 0.000) 0.409 21.214 ( -0.923 0.045 0.000) 0.924 21.794 ( 3.088 0.621 0.000) 3.150 22.001 ( -2.907 0.168 0.000) 2.911 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 20.520 -4.903 0.000) 21.098 2.171 ( 16.977 1.833 0.000) 17.076 2.420 ( -22.082 -3.190 0.000) 22.312 2.542 ( -18.877 1.566 0.000) 18.942 2.971 ( 16.540 15.151 0.000) 22.430 3.362 ( -20.037 14.142 0.000) 24.525 4.003 ( 1.904 7.844 0.000) 8.072 4.116 ( -8.298 11.409 0.000) 14.107 4.542 ( 16.821 -7.171 0.000) 18.286 4.760 ( -3.201 -3.080 0.000) 4.442 5.003 ( 11.726 -6.126 0.000) 13.230 5.139 ( 12.203 0.764 0.000) 12.227 5.368 ( -11.804 1.464 0.000) 11.894 5.569 ( 25.189 6.086 0.000) 25.913 5.628 ( -19.682 6.399 0.000) 20.696 6.120 ( -11.751 5.169 0.000) 12.838 6.151 ( -2.606 5.406 0.000) 6.001 6.293 ( -8.473 0.374 0.000) 8.481 6.991 ( 3.077 0.590 0.000) 3.133 7.076 ( -6.158 1.570 0.000) 6.355 7.793 ( 5.256 -13.091 0.000) 14.107 7.857 ( -0.600 -11.688 0.000) 11.704 7.919 ( 3.742 -10.848 0.000) 11.475 7.978 ( -1.609 -11.343 0.000) 11.457 8.300 ( 5.788 0.444 0.000) 5.805 8.418 ( -4.463 -0.146 0.000) 4.465 8.541 ( 0.822 8.397 0.000) 8.437 8.560 ( -0.993 6.243 0.000) 6.322 9.054 ( 1.758 0.025 0.000) 1.759 9.095 ( -2.059 0.165 0.000) 2.066 10.404 ( 2.100 -7.036 0.000) 7.342 10.439 ( -1.418 -7.907 0.000) 8.033 12.650 ( 1.815 0.857 0.000) 2.007 12.689 ( -2.005 0.486 0.000) 2.064 13.813 ( 5.984 1.675 0.000) 6.214 13.925 ( -4.903 2.354 0.000) 5.439 14.309 ( 9.810 -10.703 0.000) 14.519 14.477 ( -6.772 -9.680 0.000) 11.814 14.957 ( 2.965 12.966 0.000) 13.301 15.050 ( -5.748 11.394 0.000) 12.762 18.977 ( 4.374 0.532 0.000) 4.407 19.061 ( -3.975 0.946 0.000) 4.086 19.593 ( 1.892 -1.699 0.000) 2.543 19.633 ( -2.063 -1.072 0.000) 2.324 21.197 ( -0.011 -0.540 0.000) 0.540 21.201 ( -0.387 -0.584 0.000) 0.701 21.862 ( 3.583 0.718 0.000) 3.654 21.935 ( -3.584 0.701 0.000) 3.652 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 33.611 0.000) 33.611 1.385 ( 0.000 33.802 0.000) 33.802 2.218 ( 0.000 51.120 0.000) 51.120 3.075 ( 0.000 -15.801 0.000) 15.801 3.093 ( 0.000 -15.709 0.000) 15.709 3.857 ( 0.000 6.009 0.000) 6.009 3.958 ( 0.000 1.356 0.000) 1.356 4.419 ( 0.000 13.128 0.000) 13.128 4.673 ( 0.000 18.033 0.000) 18.033 5.025 ( 0.000 -16.325 0.000) 16.325 5.301 ( 0.000 -12.092 0.000) 12.092 5.399 ( 0.000 13.824 0.000) 13.824 5.478 ( 0.000 0.845 0.000) 0.845 5.731 ( 0.000 1.745 0.000) 1.745 5.980 ( 0.000 -3.941 0.000) 3.941 6.300 ( 0.000 -12.919 0.000) 12.919 6.419 ( 0.000 20.152 0.000) 20.152 6.561 ( 0.000 3.084 0.000) 3.084 6.769 ( 0.000 8.609 0.000) 8.609 6.899 ( 0.000 -8.996 0.000) 8.996 7.390 ( 0.000 -9.838 0.000) 9.838 7.521 ( 0.000 -8.565 0.000) 8.565 7.574 ( 0.000 -11.053 0.000) 11.053 7.837 ( 0.000 -14.531 0.000) 14.531 8.016 ( 0.000 -5.712 0.000) 5.712 8.116 ( 0.000 -7.750 0.000) 7.750 8.718 ( 0.000 9.399 0.000) 9.399 9.031 ( 0.000 12.332 0.000) 12.332 9.145 ( 0.000 7.498 0.000) 7.498 9.170 ( 0.000 -5.836 0.000) 5.836 9.764 ( 0.000 1.397 0.000) 1.397 10.045 ( 0.000 -6.424 0.000) 6.424 12.612 ( 0.000 1.448 0.000) 1.448 12.711 ( 0.000 -0.675 0.000) 0.675 13.174 ( 0.000 5.170 0.000) 5.170 13.457 ( 0.000 -3.072 0.000) 3.072 14.232 ( 0.000 3.049 0.000) 3.049 14.588 ( 0.000 -9.166 0.000) 9.166 15.570 ( 0.000 9.692 0.000) 9.692 15.920 ( 0.000 -2.394 0.000) 2.394 18.774 ( 0.000 1.775 0.000) 1.775 18.924 ( 0.000 -2.653 0.000) 2.653 19.589 ( 0.000 2.394 0.000) 2.394 19.714 ( 0.000 -1.319 0.000) 1.319 21.281 ( 0.000 1.663 0.000) 1.663 21.397 ( 0.000 -1.506 0.000) 1.506 21.787 ( 0.000 1.583 0.000) 1.583 21.879 ( 0.000 -1.113 0.000) 1.113 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -5.832 32.193 0.000) 32.717 1.473 ( 8.063 30.893 0.000) 31.928 2.566 ( 27.432 41.741 0.000) 49.948 2.979 ( -6.217 -12.270 0.000) 13.755 3.078 ( -4.915 -22.051 0.000) 22.593 3.728 ( -2.214 -1.967 0.000) 2.961 3.962 ( -2.080 14.304 0.000) 14.455 4.457 ( -3.089 3.655 0.000) 4.785 4.688 ( 4.170 26.382 0.000) 26.709 4.845 ( -15.058 -11.411 0.000) 18.893 5.201 ( -5.972 -8.165 0.000) 10.116 5.224 ( -14.419 13.110 0.000) 19.488 5.651 ( 10.111 2.279 0.000) 10.365 5.718 ( -2.312 -6.918 0.000) 7.295 6.005 ( 1.729 -1.386 0.000) 2.216 6.255 ( -8.180 11.487 0.000) 14.102 6.482 ( 10.497 -3.462 0.000) 11.053 6.514 ( -3.326 1.642 0.000) 3.709 6.829 ( 0.441 0.804 0.000) 0.917 6.901 ( 4.212 -2.809 0.000) 5.063 7.443 ( -2.677 -7.941 0.000) 8.380 7.469 ( 4.369 -10.019 0.000) 10.930 7.596 ( 1.278 -10.833 0.000) 10.908 7.795 ( -4.291 -14.758 0.000) 15.369 8.140 ( 3.173 -6.671 0.000) 7.387 8.151 ( 8.774 -7.066 0.000) 11.265 8.725 ( 0.594 10.159 0.000) 10.176 8.846 ( -9.699 12.729 0.000) 16.003 9.149 ( 0.037 -2.947 0.000) 2.947 9.214 ( -2.064 1.411 0.000) 2.500 9.912 ( 11.347 -5.969 0.000) 12.822 10.100 ( 4.787 -5.747 0.000) 7.480 12.622 ( 0.694 1.595 0.000) 1.739 12.717 ( 0.620 -0.575 0.000) 0.845 13.280 ( 9.538 2.024 0.000) 9.750 13.499 ( 4.296 -2.782 0.000) 5.118 14.216 ( -1.545 2.971 0.000) 3.348 14.568 ( -1.995 -9.146 0.000) 9.362 15.543 ( -2.618 9.346 0.000) 9.705 15.736 ( -14.951 6.495 0.000) 16.301 18.763 ( 0.677 2.253 0.000) 2.352 19.015 ( 5.927 -5.372 0.000) 7.999 19.572 ( -1.428 2.548 0.000) 2.921 19.710 ( -0.504 -1.439 0.000) 1.524 21.265 ( -1.442 1.426 0.000) 2.028 21.346 ( -3.975 0.368 0.000) 3.992 21.759 ( -0.531 2.792 0.000) 2.842 21.951 ( 3.983 -3.506 0.000) 5.306 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 8.519 16.479 0.000) 18.551 1.697 ( 13.781 24.088 0.000) 27.751 2.685 ( -15.857 -19.381 0.000) 25.041 2.969 ( -1.058 -14.467 0.000) 14.506 3.238 ( 24.961 30.251 0.000) 39.220 3.800 ( 2.393 10.188 0.000) 10.466 3.977 ( 9.873 5.697 0.000) 11.398 4.282 ( -10.789 -2.376 0.000) 11.048 4.525 ( -12.869 -0.369 0.000) 12.875 4.788 ( -1.298 17.249 0.000) 17.297 4.884 ( -16.335 6.027 0.000) 17.412 5.159 ( 4.975 8.858 0.000) 10.159 5.474 ( -18.120 0.803 0.000) 18.138 5.882 ( 7.934 -2.870 0.000) 8.437 6.024 ( -1.642 11.637 0.000) 11.753 6.124 ( -3.047 -1.021 0.000) 3.213 6.432 ( -4.215 -1.593 0.000) 4.506 6.643 ( 0.858 3.067 0.000) 3.185 6.872 ( 5.407 -5.555 0.000) 7.752 7.010 ( 6.623 -7.631 0.000) 10.104 7.406 ( 0.098 -6.962 0.000) 6.962 7.536 ( -1.758 -9.805 0.000) 9.962 7.630 ( 2.565 -16.266 0.000) 16.467 7.700 ( -2.536 -11.179 0.000) 11.463 8.200 ( 2.928 -2.692 0.000) 3.977 8.312 ( 6.202 -5.293 0.000) 8.154 8.705 ( -3.395 10.061 0.000) 10.619 8.744 ( 0.065 9.212 0.000) 9.212 9.119 ( -5.120 -2.271 0.000) 5.601 9.153 ( -0.276 0.806 0.000) 0.852 10.087 ( 5.555 -10.562 0.000) 11.934 10.207 ( 4.839 -6.938 0.000) 8.459 12.635 ( 0.640 1.916 0.000) 2.020 12.730 ( 0.340 -0.531 0.000) 0.631 13.501 ( 10.983 -0.796 0.000) 11.012 13.636 ( 9.549 -3.118 0.000) 10.045 14.174 ( -2.571 2.707 0.000) 3.733 14.509 ( -3.862 -8.909 0.000) 9.710 15.445 ( -12.413 13.591 0.000) 18.406 15.468 ( -4.773 8.519 0.000) 9.765 18.812 ( 3.842 2.033 0.000) 4.346 19.104 ( 2.621 -5.158 0.000) 5.785 19.543 ( -1.163 1.853 0.000) 2.188 19.690 ( -1.527 -1.590 0.000) 2.204 21.231 ( -1.757 0.840 0.000) 1.947 21.271 ( -3.166 0.973 0.000) 3.312 21.773 ( 1.706 2.604 0.000) 3.113 21.998 ( 0.690 -3.255 0.000) 3.328 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 17.140 3.095 0.000) 17.417 2.001 ( 15.573 15.920 0.000) 22.270 2.430 ( -7.868 -19.576 0.000) 21.098 2.846 ( -11.241 -7.475 0.000) 13.499 3.415 ( -6.518 29.286 0.000) 30.002 3.882 ( -3.397 4.767 0.000) 5.854 4.131 ( 4.020 4.302 0.000) 5.888 4.279 ( 8.229 21.549 0.000) 23.067 4.442 ( 6.776 -10.028 0.000) 12.103 4.622 ( -1.138 1.373 0.000) 1.783 4.716 ( -3.524 -1.909 0.000) 4.008 5.087 ( -15.091 2.006 0.000) 15.224 5.428 ( 17.364 21.993 0.000) 28.021 5.745 ( -16.224 4.315 0.000) 16.788 6.065 ( -6.286 3.456 0.000) 7.174 6.120 ( 6.461 6.220 0.000) 8.968 6.305 ( -7.072 -11.308 0.000) 13.337 6.582 ( -6.425 9.951 0.000) 11.845 6.940 ( 2.885 1.016 0.000) 3.058 7.192 ( 7.088 -11.096 0.000) 13.167 7.361 ( -4.771 -9.960 0.000) 11.044 7.494 ( 2.139 -15.041 0.000) 15.193 7.669 ( 0.480 -16.972 0.000) 16.978 7.721 ( 2.814 -7.760 0.000) 8.254 8.249 ( 2.219 0.669 0.000) 2.318 8.398 ( 2.198 -4.319 0.000) 4.846 8.676 ( 0.105 6.302 0.000) 6.303 8.735 ( -1.294 9.173 0.000) 9.264 9.042 ( -1.691 -1.212 0.000) 2.080 9.143 ( -1.056 0.883 0.000) 1.376 10.166 ( 2.985 -10.340 0.000) 10.762 10.266 ( 1.011 -8.580 0.000) 8.640 12.650 ( 0.934 1.852 0.000) 2.074 12.725 ( -0.797 -0.116 0.000) 0.805 13.696 ( 8.797 1.104 0.000) 8.866 13.863 ( 11.575 -4.697 0.000) 12.492 14.115 ( -3.070 1.948 0.000) 3.636 14.416 ( -5.290 -8.544 0.000) 10.049 15.259 ( -6.119 13.084 0.000) 14.444 15.359 ( -5.820 7.774 0.000) 9.711 18.902 ( 4.881 1.957 0.000) 5.258 19.121 ( -0.813 -2.109 0.000) 2.260 19.534 ( 0.354 -0.085 0.000) 0.364 19.651 ( -2.314 -1.817 0.000) 2.943 21.201 ( -1.140 0.109 0.000) 1.145 21.220 ( -1.949 0.291 0.000) 1.971 21.819 ( 2.741 1.973 0.000) 3.377 21.987 ( -1.628 -1.765 0.000) 2.401 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 20.476 -0.534 0.000) 20.483 2.281 ( -8.994 -4.198 0.000) 9.926 2.295 ( 10.416 3.656 0.000) 11.039 2.562 ( -14.199 0.470 0.000) 14.207 3.342 ( 4.719 18.910 0.000) 19.490 3.609 ( -18.088 9.863 0.000) 20.602 4.178 ( 5.094 3.626 0.000) 6.252 4.338 ( -9.655 5.238 0.000) 10.984 4.498 ( 8.520 7.845 0.000) 11.582 4.667 ( -7.066 -0.475 0.000) 7.082 4.897 ( 17.827 -3.926 0.000) 18.254 5.125 ( 14.338 -1.975 0.000) 14.473 5.400 ( -10.575 2.106 0.000) 10.783 5.716 ( -17.686 4.845 0.000) 18.337 5.835 ( 14.120 14.745 0.000) 20.415 6.148 ( -11.332 -2.885 0.000) 11.693 6.270 ( 7.038 7.525 0.000) 10.303 6.417 ( -8.221 11.821 0.000) 14.399 7.015 ( 4.600 2.253 0.000) 5.122 7.131 ( -6.945 4.063 0.000) 8.046 7.432 ( 6.745 -22.113 0.000) 23.119 7.527 ( -1.563 -19.479 0.000) 19.541 7.688 ( 2.814 -13.873 0.000) 14.155 7.745 ( -1.267 -10.426 0.000) 10.502 8.309 ( 4.012 0.478 0.000) 4.040 8.390 ( -2.974 -2.168 0.000) 3.681 8.687 ( 0.713 5.714 0.000) 5.758 8.705 ( -1.224 6.976 0.000) 7.082 9.053 ( 2.280 0.339 0.000) 2.305 9.107 ( -2.532 1.063 0.000) 2.746 10.219 ( 2.356 -10.088 0.000) 10.359 10.259 ( -1.399 -9.477 0.000) 9.580 12.673 ( 1.337 1.353 0.000) 1.902 12.701 ( -1.410 0.607 0.000) 1.536 13.860 ( 7.372 2.854 0.000) 7.905 13.979 ( -3.266 2.606 0.000) 4.178 14.135 ( 7.769 -6.527 0.000) 10.147 14.294 ( -7.050 -8.116 0.000) 10.751 15.199 ( 0.058 10.255 0.000) 10.255 15.250 ( -4.534 8.150 0.000) 9.327 18.999 ( 4.538 1.696 0.000) 4.845 19.078 ( -3.224 0.540 0.000) 3.269 19.557 ( 1.826 -1.615 0.000) 2.438 19.601 ( -2.472 -1.998 0.000) 3.178 21.187 ( -0.230 -0.336 0.000) 0.407 21.192 ( -0.812 -0.257 0.000) 0.852 21.879 ( 3.126 0.997 0.000) 3.281 21.940 ( -2.818 -0.277 0.000) 2.832 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 31.770 0.000) 31.770 2.036 ( 0.000 31.589 0.000) 31.589 2.609 ( 0.000 -26.355 0.000) 26.355 2.626 ( 0.000 -27.316 0.000) 27.316 3.174 ( 0.000 39.179 0.000) 39.179 3.767 ( 0.000 -17.571 0.000) 17.571 4.143 ( 0.000 15.129 0.000) 15.129 4.472 ( 0.000 -13.082 0.000) 13.082 4.826 ( 0.000 4.241 0.000) 4.241 5.035 ( 0.000 -13.071 0.000) 13.071 5.224 ( 0.000 31.520 0.000) 31.520 5.476 ( 0.000 5.607 0.000) 5.607 5.562 ( 0.000 -1.619 0.000) 1.619 5.848 ( 0.000 -18.316 0.000) 18.316 5.859 ( 0.000 5.115 0.000) 5.115 5.923 ( 0.000 -10.971 0.000) 10.971 6.615 ( 0.000 3.692 0.000) 3.692 6.730 ( 0.000 -7.590 0.000) 7.590 6.900 ( 0.000 25.577 0.000) 25.577 6.963 ( 0.000 10.273 0.000) 10.273 7.177 ( 0.000 -11.013 0.000) 11.013 7.344 ( 0.000 -13.605 0.000) 13.605 7.430 ( 0.000 -2.772 0.000) 2.772 7.502 ( 0.000 -13.695 0.000) 13.695 7.951 ( 0.000 -0.506 0.000) 0.506 7.993 ( 0.000 -4.407 0.000) 4.407 8.890 ( 0.000 7.800 0.000) 7.800 9.028 ( 0.000 -6.211 0.000) 6.211 9.255 ( 0.000 6.090 0.000) 6.090 9.269 ( 0.000 3.963 0.000) 3.963 9.794 ( 0.000 2.809 0.000) 2.809 9.901 ( 0.000 -7.357 0.000) 7.357 12.649 ( 0.000 2.069 0.000) 2.069 12.688 ( 0.000 -1.687 0.000) 1.687 13.282 ( 0.000 5.408 0.000) 5.408 13.381 ( 0.000 -4.512 0.000) 4.512 14.310 ( 0.000 4.865 0.000) 4.865 14.427 ( 0.000 -6.996 0.000) 6.996 15.738 ( 0.000 7.152 0.000) 7.152 15.853 ( 0.000 -4.489 0.000) 4.489 18.816 ( 0.000 2.453 0.000) 2.453 18.869 ( 0.000 -2.821 0.000) 2.821 19.637 ( 0.000 2.418 0.000) 2.418 19.681 ( 0.000 -1.965 0.000) 1.965 21.319 ( 0.000 2.111 0.000) 2.111 21.361 ( 0.000 -2.036 0.000) 2.036 21.820 ( 0.000 1.713 0.000) 1.713 21.852 ( 0.000 -1.508 0.000) 1.508 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -10.504 32.257 0.000) 33.924 2.076 ( 3.665 29.289 0.000) 29.518 2.502 ( -11.136 -29.410 0.000) 31.447 2.612 ( -0.651 -23.815 0.000) 23.824 3.368 ( 16.910 30.474 0.000) 34.851 3.703 ( -0.756 -3.957 0.000) 4.028 4.177 ( 0.548 8.301 0.000) 8.319 4.413 ( -4.856 -12.639 0.000) 13.539 4.752 ( -6.980 6.968 0.000) 9.863 4.951 ( -7.417 -10.192 0.000) 12.605 5.304 ( 6.240 23.422 0.000) 24.239 5.424 ( -11.851 4.015 0.000) 12.513 5.536 ( 2.502 2.961 0.000) 3.877 5.774 ( -2.393 -0.632 0.000) 2.475 5.928 ( 4.386 -3.730 0.000) 5.757 6.071 ( 12.620 -20.991 0.000) 24.492 6.530 ( -7.060 7.397 0.000) 10.225 6.671 ( -6.706 -4.848 0.000) 8.275 6.841 ( -1.891 18.575 0.000) 18.671 7.037 ( 2.369 8.935 0.000) 9.243 7.226 ( 3.973 -12.626 0.000) 13.237 7.297 ( -3.170 -11.063 0.000) 11.508 7.437 ( 0.457 -3.361 0.000) 3.392 7.503 ( 0.207 -10.801 0.000) 10.803 8.037 ( 6.863 -2.705 0.000) 7.377 8.044 ( 5.399 -3.194 0.000) 6.273 8.900 ( 0.749 7.555 0.000) 7.592 9.021 ( -2.253 -2.861 0.000) 3.641 9.111 ( -6.940 7.367 0.000) 10.121 9.235 ( -5.624 -2.404 0.000) 6.116 9.878 ( 6.470 2.130 0.000) 6.811 9.973 ( 5.527 -6.433 0.000) 8.481 12.659 ( 0.861 2.047 0.000) 2.221 12.696 ( 0.757 -1.547 0.000) 1.723 13.349 ( 6.481 4.246 0.000) 7.748 13.432 ( 5.036 -3.923 0.000) 6.384 14.292 ( -1.731 4.776 0.000) 5.080 14.408 ( -1.899 -6.942 0.000) 7.197 15.698 ( -3.883 6.027 0.000) 7.169 15.775 ( -7.124 -1.496 0.000) 7.280 18.826 ( 1.559 3.958 0.000) 4.254 18.914 ( 3.595 -4.818 0.000) 6.012 19.625 ( -1.179 2.673 0.000) 2.921 19.674 ( -0.785 -2.187 0.000) 2.324 21.298 ( -1.913 1.817 0.000) 2.638 21.332 ( -2.582 -1.426 0.000) 2.950 21.819 ( 0.476 3.217 0.000) 3.252 21.884 ( 2.237 -3.316 0.000) 4.000 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -5.966 25.197 0.000) 25.894 2.176 ( 3.264 15.668 0.000) 16.004 2.221 ( -10.686 -17.521 0.000) 20.523 2.623 ( 1.592 -19.725 0.000) 19.789 3.737 ( 16.624 13.537 0.000) 21.438 3.861 ( 16.326 -2.151 0.000) 16.467 4.133 ( -4.710 11.952 0.000) 12.847 4.302 ( -6.576 -1.759 0.000) 6.807 4.585 ( -7.903 8.946 0.000) 11.937 4.776 ( -9.126 -8.309 0.000) 12.341 5.077 ( -17.661 10.172 0.000) 20.381 5.328 ( -9.184 -13.565 0.000) 16.382 5.633 ( 10.293 26.588 0.000) 28.511 5.828 ( 6.128 0.116 0.000) 6.129 6.033 ( 4.829 -0.713 0.000) 4.881 6.288 ( -0.100 -2.886 0.000) 2.888 6.375 ( -4.987 -2.260 0.000) 5.476 6.526 ( -1.847 -11.515 0.000) 11.663 6.823 ( -0.321 11.813 0.000) 11.817 7.009 ( -3.102 -0.056 0.000) 3.103 7.260 ( -1.048 -6.845 0.000) 6.925 7.287 ( 0.575 -14.368 0.000) 14.379 7.451 ( 1.141 0.855 0.000) 1.426 7.530 ( 2.683 -6.422 0.000) 6.960 8.158 ( 6.101 -0.528 0.000) 6.124 8.200 ( 7.342 -4.738 0.000) 8.738 8.876 ( -5.225 6.880 0.000) 8.639 8.925 ( -2.710 6.061 0.000) 6.639 9.054 ( -1.998 -1.137 0.000) 2.299 9.136 ( -1.961 -4.200 0.000) 4.635 9.989 ( 4.010 0.597 0.000) 4.054 10.071 ( 3.555 -6.406 0.000) 7.326 12.676 ( 0.712 2.071 0.000) 2.190 12.711 ( 0.556 -1.386 0.000) 1.494 13.523 ( 10.189 2.406 0.000) 10.469 13.578 ( 9.252 -2.920 0.000) 9.702 14.244 ( -3.001 4.435 0.000) 5.355 14.353 ( -3.481 -6.664 0.000) 7.518 15.592 ( -6.417 3.824 0.000) 7.470 15.604 ( -8.919 3.047 0.000) 9.425 18.882 ( 3.746 4.778 0.000) 6.071 18.991 ( 3.689 -5.906 0.000) 6.963 19.593 ( -1.886 2.868 0.000) 3.432 19.648 ( -1.775 -2.544 0.000) 3.102 21.252 ( -2.432 1.211 0.000) 2.716 21.273 ( -3.010 -0.680 0.000) 3.086 21.840 ( 1.402 3.917 0.000) 4.161 21.922 ( 1.316 -4.195 0.000) 4.396 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 7.904 13.753 0.000) 15.863 2.040 ( -1.221 -18.522 0.000) 18.562 2.339 ( 7.552 16.602 0.000) 18.239 2.640 ( -1.167 -13.102 0.000) 13.153 3.878 ( -9.692 16.025 0.000) 18.727 3.996 ( -6.652 5.410 0.000) 8.574 4.151 ( -2.000 -1.611 0.000) 2.568 4.211 ( 8.897 -9.503 0.000) 13.018 4.566 ( 8.099 2.846 0.000) 8.585 4.634 ( -1.877 -4.915 0.000) 5.262 4.830 ( -3.277 20.705 0.000) 20.962 5.122 ( -8.943 -4.427 0.000) 9.979 5.756 ( -6.448 7.612 0.000) 9.976 5.927 ( 3.026 4.791 0.000) 5.667 6.022 ( -2.505 1.562 0.000) 2.952 6.148 ( -12.433 -0.276 0.000) 12.436 6.295 ( 7.149 11.098 0.000) 13.202 6.713 ( 12.188 -24.813 0.000) 27.644 6.821 ( -0.699 11.030 0.000) 11.052 6.986 ( 1.488 0.512 0.000) 1.573 7.234 ( -2.784 -10.329 0.000) 10.698 7.257 ( -1.013 -10.079 0.000) 10.130 7.459 ( -1.064 2.589 0.000) 2.799 7.580 ( 1.046 -7.124 0.000) 7.200 8.261 ( 3.914 1.125 0.000) 4.072 8.311 ( 3.639 -3.877 0.000) 5.318 8.789 ( -2.503 5.095 0.000) 5.677 8.852 ( -4.248 0.510 0.000) 4.278 9.046 ( 1.391 3.514 0.000) 3.779 9.132 ( 0.196 -2.935 0.000) 2.942 10.042 ( 1.659 -1.142 0.000) 2.014 10.108 ( 0.318 -6.658 0.000) 6.666 12.688 ( 0.507 1.776 0.000) 1.847 12.715 ( -0.134 -0.936 0.000) 0.946 13.733 ( 10.237 2.390 0.000) 10.512 13.787 ( 10.921 -3.132 0.000) 11.362 14.174 ( -4.019 3.842 0.000) 5.560 14.271 ( -4.717 -6.063 0.000) 7.682 15.437 ( -6.923 4.935 0.000) 8.501 15.462 ( -6.373 2.252 0.000) 6.760 18.965 ( 4.218 4.115 0.000) 5.893 19.053 ( 2.294 -4.366 0.000) 4.932 19.557 ( -1.546 2.111 0.000) 2.616 19.606 ( -2.347 -2.577 0.000) 3.485 21.209 ( -1.740 0.604 0.000) 1.842 21.220 ( -2.157 -0.359 0.000) 2.187 21.870 ( 1.565 3.067 0.000) 3.444 21.935 ( -0.012 -3.199 0.000) 3.199 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 14.898 5.291 0.000) 15.809 2.111 ( 3.364 -8.424 0.000) 9.071 2.446 ( 2.755 6.791 0.000) 7.329 2.543 ( -7.453 -2.795 0.000) 7.960 3.661 ( -5.415 11.930 0.000) 13.101 3.745 ( -12.507 3.072 0.000) 12.879 4.143 ( 2.241 -1.737 0.000) 2.836 4.230 ( -5.289 -9.624 0.000) 10.982 4.734 ( 6.659 8.986 0.000) 11.184 4.819 ( 10.917 1.547 0.000) 11.026 4.879 ( 3.786 9.604 0.000) 10.324 5.066 ( 2.576 -5.237 0.000) 5.836 5.498 ( -7.821 9.073 0.000) 11.978 5.697 ( -18.882 -7.260 0.000) 20.230 6.063 ( 3.518 4.752 0.000) 5.913 6.092 ( 0.483 -1.341 0.000) 1.426 6.504 ( 11.631 18.247 0.000) 21.638 6.713 ( -8.222 17.043 0.000) 18.922 6.951 ( 9.079 -23.628 0.000) 25.312 7.055 ( 1.902 -8.973 0.000) 9.172 7.160 ( -1.062 -2.701 0.000) 2.902 7.242 ( -3.541 -0.591 0.000) 3.590 7.449 ( 2.526 -5.829 0.000) 6.352 7.543 ( -4.582 -9.823 0.000) 10.839 8.322 ( 2.362 0.910 0.000) 2.531 8.348 ( 0.102 -1.789 0.000) 1.792 8.767 ( -0.015 2.448 0.000) 2.448 8.786 ( -2.070 0.999 0.000) 2.299 9.087 ( 2.286 2.854 0.000) 3.657 9.124 ( -1.138 -0.121 0.000) 1.144 10.069 ( 1.268 -3.654 0.000) 3.868 10.096 ( -1.237 -5.821 0.000) 5.951 12.698 ( 0.517 0.986 0.000) 1.113 12.708 ( -0.497 -0.046 0.000) 0.499 13.921 ( 8.169 3.237 0.000) 8.787 13.985 ( 7.156 -2.766 0.000) 7.671 14.085 ( -3.825 2.077 0.000) 4.352 14.162 ( -6.199 -5.257 0.000) 8.128 15.343 ( -2.092 4.072 0.000) 4.578 15.358 ( -3.388 2.509 0.000) 4.215 19.039 ( 2.964 2.182 0.000) 3.680 19.074 ( -0.329 -1.060 0.000) 1.110 19.540 ( 0.109 0.134 0.000) 0.173 19.561 ( -1.838 -1.791 0.000) 2.567 21.186 ( -0.514 0.140 0.000) 0.532 21.189 ( -0.856 -0.155 0.000) 0.870 21.901 ( 1.396 1.157 0.000) 1.813 21.925 ( -0.932 -1.162 0.000) 1.490 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 0.000 24.990) 24.990 0.712 ( 0.000 0.000 33.572) 33.572 1.203 ( 0.000 0.000 56.013) 56.013 3.137 ( 0.000 0.000 0.769) 0.769 3.157 ( 0.000 0.000 -6.660) 6.660 3.562 ( 0.000 0.000 7.184) 7.184 4.014 ( 0.000 0.000 -22.245) 22.245 4.452 ( 0.000 0.000 -18.698) 18.698 4.460 ( 0.000 0.000 6.305) 6.305 4.517 ( 0.000 0.000 -25.901) 25.901 4.757 ( 0.000 0.000 -1.536) 1.536 5.579 ( 0.000 0.000 -26.215) 26.215 5.589 ( 0.000 0.000 -14.472) 14.472 5.886 ( 0.000 0.000 13.868) 13.868 5.901 ( 0.000 0.000 0.616) 0.616 6.030 ( 0.000 0.000 -6.368) 6.368 6.372 ( 0.000 0.000 -16.272) 16.272 6.528 ( 0.000 0.000 16.079) 16.079 6.836 ( 0.000 0.000 14.537) 14.537 7.368 ( 0.000 0.000 18.079) 18.079 7.800 ( 0.000 0.000 4.512) 4.512 7.802 ( 0.000 0.000 -1.840) 1.840 7.808 ( 0.000 0.000 3.662) 3.662 7.997 ( 0.000 0.000 -4.728) 4.728 8.285 ( 0.000 0.000 1.954) 1.954 8.431 ( 0.000 0.000 2.747) 2.747 8.524 ( 0.000 0.000 2.020) 2.020 8.568 ( 0.000 0.000 -1.266) 1.266 9.473 ( 0.000 0.000 3.752) 3.752 9.532 ( 0.000 0.000 1.557) 1.557 9.602 ( 0.000 0.000 -3.493) 3.493 10.130 ( 0.000 0.000 -2.545) 2.545 12.696 ( 0.000 0.000 9.843) 9.843 12.770 ( 0.000 0.000 0.096) 0.096 13.025 ( 0.000 0.000 -2.452) 2.452 14.145 ( 0.000 0.000 -0.087) 0.087 14.330 ( 0.000 0.000 1.351) 1.351 14.897 ( 0.000 0.000 -2.314) 2.314 15.134 ( 0.000 0.000 1.249) 1.249 15.250 ( 0.000 0.000 2.464) 2.464 18.844 ( 0.000 0.000 0.461) 0.461 18.981 ( 0.000 0.000 -0.499) 0.499 19.247 ( 0.000 0.000 -1.980) 1.980 19.484 ( 0.000 0.000 -4.231) 4.231 21.287 ( 0.000 0.000 3.666) 3.666 21.684 ( 0.000 0.000 0.161) 0.161 21.742 ( 0.000 0.000 -0.741) 0.741 21.845 ( 0.000 0.000 -1.088) 1.088 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 7.686 0.000 35.009) 35.843 0.994 ( 23.764 0.000 23.563) 33.466 1.408 ( 37.136 0.000 29.952) 47.710 3.176 ( 2.962 0.000 1.483) 3.312 3.308 ( 15.333 0.000 -8.469) 17.517 3.519 ( -3.775 0.000 7.290) 8.209 3.901 ( -10.180 0.000 -21.685) 23.955 4.266 ( -12.013 0.000 -0.785) 12.039 4.297 ( -16.926 0.000 -13.919) 21.914 4.620 ( 3.767 0.000 -16.938) 17.352 4.703 ( -1.802 0.000 -2.261) 2.891 5.448 ( -8.918 0.000 -12.812) 15.611 5.518 ( -10.922 0.000 -12.139) 16.329 5.733 ( -4.994 0.000 -6.660) 8.324 5.850 ( -5.148 0.000 -2.102) 5.561 5.937 ( -9.548 0.000 -2.909) 9.981 6.486 ( 5.646 0.000 -14.032) 15.125 6.649 ( 9.575 0.000 14.879) 17.694 6.882 ( 4.194 0.000 14.187) 14.794 7.361 ( -1.041 0.000 17.083) 17.115 7.672 ( -3.232 0.000 1.697) 3.651 7.787 ( 1.370 0.000 3.246) 3.523 7.959 ( 6.278 0.000 0.362) 6.289 8.073 ( 5.608 0.000 -1.221) 5.740 8.268 ( -1.036 0.000 2.696) 2.889 8.411 ( -2.541 0.000 2.555) 3.603 8.481 ( -4.067 0.000 2.958) 5.029 8.485 ( -0.894 0.000 1.709) 1.928 9.175 ( -5.584 0.000 6.843) 8.832 9.394 ( -6.339 0.000 4.220) 7.615 10.192 ( 5.149 0.000 -2.381) 5.673 10.296 ( 21.091 0.000 -22.064) 30.523 12.695 ( 0.009 0.000 9.808) 9.808 12.777 ( 1.134 0.000 2.269) 2.537 13.222 ( 14.535 0.000 -10.333) 17.834 14.137 ( -1.031 0.000 0.734) 1.266 14.341 ( 1.231 0.000 0.375) 1.287 14.636 ( -25.608 0.000 22.144) 33.855 14.908 ( 0.943 0.000 -1.803) 2.035 15.262 ( -2.437 0.000 4.274) 4.919 18.785 ( 0.499 0.000 1.945) 2.008 19.227 ( -1.954 0.000 -1.890) 2.719 19.345 ( 15.807 0.000 -17.752) 23.770 19.491 ( 0.647 0.000 -4.383) 4.431 21.283 ( -0.395 0.000 3.798) 3.818 21.454 ( -11.276 0.000 11.736) 16.276 21.698 ( 1.353 0.000 0.135) 1.360 22.004 ( 3.371 0.000 -6.023) 6.902 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 17.667 0.000 19.112) 26.027 1.533 ( 28.197 0.000 14.228) 31.584 2.193 ( 31.951 0.000 17.673) 36.513 3.164 ( -7.762 0.000 0.463) 7.776 3.446 ( 0.685 0.000 5.765) 5.806 3.670 ( 12.018 0.000 -11.980) 16.969 3.671 ( -13.682 0.000 -9.408) 16.605 3.870 ( -17.948 0.000 -13.391) 22.393 4.106 ( 2.304 0.000 5.684) 6.133 4.660 ( 1.197 0.000 -16.270) 16.314 4.726 ( 3.093 0.000 -5.670) 6.459 5.175 ( -18.003 0.000 1.925) 18.105 5.247 ( -11.417 0.000 -8.500) 14.234 5.706 ( -7.936 0.000 -8.914) 11.935 5.753 ( 2.660 0.000 -24.491) 24.635 5.758 ( -6.398 0.000 -3.660) 7.371 6.495 ( -5.057 0.000 -10.602) 11.746 6.756 ( -2.408 0.000 10.273) 10.551 6.979 ( 4.740 0.000 11.813) 12.728 7.345 ( 0.942 0.000 9.487) 9.533 7.686 ( 2.496 0.000 4.001) 4.716 7.841 ( 2.927 0.000 -1.817) 3.445 8.009 ( -0.306 0.000 -1.639) 1.667 8.177 ( 3.495 0.000 4.166) 5.438 8.265 ( -0.397 0.000 3.412) 3.435 8.394 ( 1.240 0.000 -0.258) 1.267 8.405 ( -1.041 0.000 6.457) 6.540 8.508 ( 1.866 0.000 -0.359) 1.900 9.128 ( -0.496 0.000 6.886) 6.904 9.278 ( -4.459 0.000 5.741) 7.269 10.300 ( 5.113 0.000 -2.221) 5.575 10.498 ( 3.175 0.000 -11.589) 12.016 12.699 ( 0.428 0.000 9.754) 9.763 12.803 ( 1.072 0.000 4.518) 4.644 13.497 ( 12.079 0.000 -7.884) 14.425 14.097 ( -2.879 0.000 1.987) 3.498 14.320 ( -7.081 0.000 13.160) 14.944 14.385 ( 3.075 0.000 -1.379) 3.370 14.923 ( 0.233 0.000 -0.432) 0.491 15.183 ( -5.141 0.000 5.368) 7.433 18.826 ( 2.981 0.000 0.717) 3.066 19.175 ( -3.036 0.000 -1.664) 3.462 19.507 ( 0.849 0.000 -4.792) 4.867 19.524 ( 4.075 0.000 -13.449) 14.052 21.274 ( -0.434 0.000 4.136) 4.158 21.320 ( -3.450 0.000 9.194) 9.820 21.736 ( 2.308 0.000 0.042) 2.308 22.015 ( -1.258 0.000 -3.518) 3.736 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 20.214 0.000 5.484) 20.945 2.078 ( 24.759 0.000 8.989) 26.341 2.502 ( 1.684 0.000 15.960) 16.049 2.841 ( -21.235 0.000 -6.067) 22.085 3.248 ( -21.754 0.000 8.435) 23.332 3.453 ( -7.930 0.000 -0.417) 7.941 3.795 ( 2.697 0.000 -15.210) 15.447 3.872 ( 15.949 0.000 0.469) 15.956 4.292 ( 7.982 0.000 -3.386) 8.670 4.757 ( -2.869 0.000 -0.247) 2.879 4.844 ( 20.631 0.000 -8.130) 22.175 4.945 ( -0.694 0.000 -5.552) 5.595 5.066 ( -2.895 0.000 -3.851) 4.817 5.520 ( -10.742 0.000 -5.418) 12.031 5.718 ( 2.056 0.000 -16.510) 16.638 5.758 ( -3.611 0.000 -23.051) 23.332 6.277 ( -16.210 0.000 -2.806) 16.451 6.561 ( -15.129 0.000 -1.165) 15.173 7.054 ( 2.606 0.000 8.562) 8.950 7.326 ( -6.084 0.000 8.804) 10.701 7.716 ( 3.022 0.000 -4.172) 5.152 7.887 ( 1.442 0.000 -3.697) 3.969 8.060 ( 5.182 0.000 0.966) 5.272 8.198 ( -0.742 0.000 3.201) 3.286 8.241 ( -0.078 0.000 5.025) 5.026 8.428 ( 0.877 0.000 1.897) 2.090 8.454 ( 3.758 0.000 7.536) 8.421 8.539 ( 0.973 0.000 -1.429) 1.729 9.138 ( 1.330 0.000 9.561) 9.653 9.220 ( -1.580 0.000 7.675) 7.836 10.389 ( 3.702 0.000 -2.137) 4.275 10.513 ( -0.675 0.000 -5.583) 5.624 12.715 ( 1.204 0.000 9.703) 9.777 12.809 ( -0.551 0.000 6.970) 6.991 13.696 ( 7.755 0.000 -0.958) 7.814 14.024 ( -4.280 0.000 2.602) 5.009 14.299 ( 3.686 0.000 0.635) 3.741 14.453 ( 3.236 0.000 -3.377) 4.677 14.912 ( -1.155 0.000 1.947) 2.264 15.067 ( -6.051 0.000 6.116) 8.603 18.893 ( 3.600 0.000 -0.005) 3.600 19.109 ( -3.437 0.000 -1.362) 3.697 19.525 ( 0.882 0.000 -5.396) 5.467 19.562 ( 0.428 0.000 -9.475) 9.484 21.267 ( -0.203 0.000 4.570) 4.574 21.280 ( -1.004 0.000 6.802) 6.876 21.788 ( 2.850 0.000 -0.161) 2.855 21.973 ( -2.716 0.000 -2.064) 3.412 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 18.956 0.000 -2.532) 19.125 2.290 ( -14.254 0.000 -2.267) 14.433 2.508 ( 2.457 0.000 15.331) 15.527 2.564 ( 0.662 0.000 4.713) 4.759 2.971 ( -0.339 0.000 9.565) 9.571 3.200 ( -15.276 0.000 2.158) 15.428 3.840 ( 2.021 0.000 -8.409) 8.648 3.919 ( -5.792 0.000 -5.194) 7.780 4.636 ( 14.382 0.000 -2.604) 14.615 4.708 ( -0.151 0.000 -4.059) 4.062 5.043 ( 13.679 0.000 -3.051) 14.015 5.062 ( 8.988 0.000 -5.868) 10.734 5.290 ( -10.030 0.000 -5.090) 11.248 5.501 ( 30.916 0.000 -1.759) 30.966 5.523 ( -21.226 0.000 -7.237) 22.426 5.815 ( 7.655 0.000 -21.116) 22.460 5.945 ( -14.121 0.000 -9.637) 17.096 6.157 ( -24.679 0.000 -8.162) 25.994 7.096 ( 2.192 0.000 6.484) 6.845 7.173 ( -6.229 0.000 7.067) 9.420 7.817 ( 5.200 0.000 -6.343) 8.202 7.888 ( -1.639 0.000 -4.994) 5.256 8.135 ( 2.062 0.000 1.181) 2.377 8.171 ( -1.696 0.000 1.841) 2.503 8.302 ( 5.385 0.000 3.899) 6.648 8.401 ( -3.593 0.000 0.907) 3.706 8.516 ( 2.257 0.000 7.173) 7.520 8.544 ( -0.509 0.000 4.315) 4.345 9.171 ( 1.669 0.000 10.403) 10.536 9.198 ( -1.017 0.000 9.387) 9.442 10.450 ( 2.433 0.000 -2.274) 3.330 10.489 ( -1.575 0.000 -3.109) 3.485 12.747 ( 1.851 0.000 9.488) 9.667 12.784 ( -1.744 0.000 8.713) 8.886 13.824 ( 5.551 0.000 2.353) 6.029 13.930 ( -5.021 0.000 2.819) 5.758 14.411 ( 5.963 0.000 -5.718) 8.262 14.486 ( -0.794 0.000 -6.134) 6.185 14.898 ( 0.588 0.000 5.432) 5.463 14.954 ( -4.744 0.000 6.706) 8.215 18.967 ( 3.636 0.000 -0.558) 3.679 19.039 ( -3.560 0.000 -1.000) 3.698 19.542 ( 0.874 0.000 -6.211) 6.272 19.558 ( -0.631 0.000 -7.406) 7.433 21.266 ( 0.039 0.000 5.042) 5.042 21.269 ( -0.283 0.000 5.658) 5.665 21.848 ( 3.135 0.000 -0.541) 3.181 21.912 ( -3.172 0.000 -1.152) 3.375 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 4.636 33.841) 34.157 0.866 ( 0.000 27.246 14.985) 31.095 1.659 ( 0.000 45.139 34.586) 56.866 3.160 ( 0.000 -0.359 -6.431) 6.441 3.180 ( 0.000 0.569 -0.599) 0.826 3.663 ( 0.000 7.891 -0.486) 7.906 4.012 ( 0.000 -1.013 -21.510) 21.534 4.196 ( 0.000 -16.522 6.103) 17.613 4.286 ( 0.000 3.525 -14.135) 14.568 4.850 ( 0.000 17.228 -22.574) 28.397 4.981 ( 0.000 10.988 -10.910) 15.484 5.404 ( 0.000 -5.570 -10.747) 12.104 5.555 ( 0.000 -17.019 3.160) 17.310 5.753 ( 0.000 4.318 -20.718) 21.163 6.033 ( 0.000 6.830 -2.326) 7.215 6.092 ( 0.000 1.515 18.343) 18.405 6.331 ( 0.000 -4.071 -14.512) 15.072 6.519 ( 0.000 1.113 7.776) 7.856 6.866 ( 0.000 3.126 14.763) 15.091 7.298 ( 0.000 -7.881 18.043) 19.689 7.639 ( 0.000 -7.240 5.149) 8.884 7.678 ( 0.000 -9.137 -2.284) 9.419 7.940 ( 0.000 0.408 5.043) 5.059 7.998 ( 0.000 -3.443 -3.253) 4.737 8.161 ( 0.000 -7.542 1.630) 7.716 8.278 ( 0.000 -8.781 0.612) 8.802 8.581 ( 0.000 1.511 4.865) 5.094 8.743 ( 0.000 12.887 -1.438) 12.966 9.245 ( 0.000 -10.990 12.541) 16.675 9.331 ( 0.000 -9.267 0.962) 9.317 9.697 ( 0.000 5.002 -0.829) 5.070 10.118 ( 0.000 -2.402 -2.252) 3.293 12.687 ( 0.000 -0.637 8.204) 8.229 12.756 ( 0.000 -0.769 1.393) 1.591 13.073 ( 0.000 4.473 -0.814) 4.546 13.787 ( 0.000 -17.979 16.889) 24.667 14.198 ( 0.000 1.030 1.101) 1.508 14.772 ( 0.000 -9.445 -1.185) 9.519 15.379 ( 0.000 9.868 1.316) 9.955 15.657 ( 0.000 18.423 -16.240) 24.559 18.782 ( 0.000 -1.776 2.145) 2.785 18.964 ( 0.000 -1.706 -0.514) 1.782 19.469 ( 0.000 10.879 -12.475) 16.553 19.501 ( 0.000 1.557 -4.225) 4.503 21.296 ( 0.000 0.875 3.641) 3.744 21.578 ( 0.000 -6.196 6.874) 9.254 21.751 ( 0.000 0.883 -0.825) 1.208 21.856 ( 0.000 0.092 -2.684) 2.685 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 14.413 2.551 23.512) 27.696 1.080 ( 11.482 18.032 22.900) 31.328 1.993 ( 29.424 40.965 22.707) 55.313 3.088 ( -1.041 -7.488 -3.515) 8.337 3.359 ( 10.900 -0.262 -2.164) 11.116 3.618 ( -4.203 7.834 -0.913) 8.937 3.910 ( -11.518 -7.388 -8.185) 15.945 4.029 ( -7.128 0.831 -13.378) 15.181 4.349 ( 1.648 0.142 -8.184) 8.350 4.692 ( -12.263 12.279 -14.023) 22.311 5.002 ( -2.213 16.980 -6.630) 18.363 5.311 ( -7.652 -12.544 -8.833) 17.145 5.409 ( -9.287 -6.381 -8.223) 13.949 5.760 ( -0.819 3.051 -16.990) 17.281 5.950 ( -6.158 8.488 -2.485) 10.777 6.017 ( -7.328 4.973 5.038) 10.189 6.454 ( 6.509 -3.577 -11.529) 13.714 6.576 ( 6.147 -5.595 11.230) 13.971 6.915 ( 4.023 2.847 13.076) 13.974 7.303 ( 0.197 -6.613 17.461) 18.672 7.608 ( -3.470 -5.617 0.938) 6.669 7.692 ( 2.895 -8.094 1.348) 8.701 7.870 ( -0.509 -7.626 4.658) 8.950 8.031 ( 1.231 -6.647 -0.103) 6.761 8.241 ( 1.036 -1.993 -0.759) 2.372 8.295 ( 4.851 -5.878 1.395) 7.748 8.551 ( -2.468 5.234 4.611) 7.399 8.651 ( -4.314 10.872 1.500) 11.793 9.138 ( -2.794 -1.920 3.405) 4.805 9.363 ( -3.567 -3.828 5.510) 7.599 10.044 ( 19.716 -13.872 -9.076) 25.759 10.181 ( 6.084 -3.418 -2.070) 7.279 12.692 ( 0.421 -0.175 8.320) 8.333 12.772 ( 1.460 -0.422 2.912) 3.284 13.216 ( 12.151 0.648 -5.219) 13.241 13.812 ( 2.459 -17.006 15.410) 23.080 14.181 ( -1.637 1.028 0.800) 2.092 14.753 ( -2.238 -9.070 -0.793) 9.376 15.266 ( -13.761 20.417 -3.472) 24.865 15.448 ( -8.535 16.803 1.348) 18.895 18.765 ( 0.718 -1.009 1.673) 2.082 19.104 ( 6.749 -6.204 -2.744) 9.569 19.447 ( -0.624 3.795 -8.608) 9.428 19.551 ( 3.123 4.821 -8.751) 10.468 21.281 ( -1.382 0.082 3.735) 3.983 21.458 ( -7.505 -0.029 9.392) 12.022 21.710 ( 0.294 1.322 -0.249) 1.377 21.972 ( 4.319 -2.591 -4.410) 6.694 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 20.792 3.324 15.490) 26.141 1.405 ( 21.998 4.297 13.509) 26.170 2.605 ( 24.244 29.205 12.848) 40.072 3.037 ( -5.323 -11.322 -1.587) 12.611 3.393 ( -13.316 -12.193 2.955) 18.295 3.591 ( 4.178 4.356 0.839) 6.093 3.709 ( -2.659 6.261 -14.288) 15.825 4.046 ( 5.599 9.424 -15.004) 18.582 4.280 ( -4.388 9.154 -2.925) 10.564 4.519 ( -1.874 2.944 -4.757) 5.899 4.906 ( -5.561 6.299 -5.816) 10.220 5.050 ( -12.948 -7.616 -0.442) 15.028 5.312 ( -6.697 4.957 -12.131) 14.717 5.691 ( -4.042 2.717 -11.192) 12.206 5.820 ( -7.371 6.924 -8.849) 13.438 5.893 ( -2.512 7.418 -10.528) 13.121 6.480 ( -3.693 -1.607 -10.999) 11.714 6.683 ( -0.297 -6.941 10.852) 12.885 6.979 ( 2.253 -0.498 9.224) 9.508 7.316 ( 2.440 -3.314 10.588) 11.360 7.602 ( 2.082 -7.239 3.337) 8.238 7.738 ( 0.698 -9.407 -1.413) 9.539 7.908 ( 3.099 -9.624 1.059) 10.166 7.988 ( -3.965 -11.932 3.199) 12.974 8.277 ( 2.956 -1.771 2.907) 4.508 8.412 ( 5.360 -0.803 2.744) 6.075 8.510 ( -1.085 8.920 1.596) 9.127 8.596 ( -1.644 7.768 1.095) 8.015 9.103 ( -1.049 -1.598 3.376) 3.879 9.289 ( -2.761 0.331 7.751) 8.235 10.244 ( 4.924 -7.221 -3.989) 9.607 10.349 ( 6.559 -10.337 -5.546) 13.440 12.702 ( 0.632 0.394 8.798) 8.830 12.802 ( 1.147 -0.201 4.959) 5.094 13.478 ( 12.620 -1.241 -5.708) 13.906 13.888 ( 5.282 -14.004 10.218) 18.122 14.139 ( -2.396 0.714 0.420) 2.535 14.672 ( -5.411 -4.272 -0.721) 6.932 15.025 ( -7.455 19.002 -0.732) 20.425 15.341 ( -4.614 11.794 4.642) 13.488 18.809 ( 3.299 -0.958 0.619) 3.491 19.159 ( -0.469 -2.202 -1.829) 2.901 19.451 ( 0.846 -1.295 -7.657) 7.812 19.596 ( 1.133 3.068 -8.146) 8.778 21.247 ( -1.703 -1.449 3.905) 4.500 21.358 ( -2.862 2.332 8.203) 8.995 21.739 ( 2.139 0.547 -0.162) 2.214 22.006 ( -0.290 -1.098 -3.362) 3.548 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 17.939 6.515 7.577) 20.534 1.883 ( 22.601 -6.907 9.997) 25.660 2.723 ( -7.763 -4.385 -2.655) 9.302 2.906 ( -9.448 18.837 7.033) 22.216 3.042 ( -16.627 -8.792 6.378) 19.861 3.665 ( -5.319 8.543 -10.490) 14.537 3.792 ( 2.525 7.360 -7.070) 10.513 4.031 ( 12.208 9.250 1.789) 15.420 4.400 ( -1.582 10.725 -3.314) 11.336 4.622 ( 14.367 -10.542 -7.668) 19.400 4.782 ( -0.656 -3.782 0.881) 3.938 5.023 ( 6.738 6.233 -7.964) 12.152 5.126 ( -2.787 5.405 0.044) 6.082 5.604 ( -12.270 7.279 -4.302) 14.901 5.721 ( 3.823 4.632 -19.913) 20.799 5.854 ( -3.829 4.864 -17.469) 18.534 6.309 ( -12.852 3.290 -5.590) 14.396 6.510 ( -14.800 -5.026 -0.207) 15.632 7.035 ( 2.679 -2.057 7.224) 7.975 7.331 ( -4.883 0.317 8.721) 10.000 7.614 ( 2.018 -9.769 -2.711) 10.337 7.769 ( 2.528 -11.130 -3.420) 11.915 7.951 ( 0.641 -12.510 4.817) 13.420 7.991 ( 4.597 -9.538 2.185) 10.811 8.317 ( 0.676 -0.120 5.622) 5.664 8.458 ( -0.383 1.774 2.029) 2.722 8.544 ( 3.290 5.177 1.242) 6.259 8.575 ( -0.380 6.781 0.995) 6.864 9.099 ( 0.640 -2.469 5.881) 6.410 9.257 ( -0.741 2.137 10.307) 10.552 10.321 ( 2.937 -7.427 -3.136) 8.580 10.420 ( 1.438 -7.464 -2.880) 8.128 12.720 ( 1.219 0.587 9.093) 9.193 12.809 ( -0.469 -0.043 7.071) 7.087 13.693 ( 8.666 0.001 -0.477) 8.680 14.005 ( 3.341 -4.719 3.362) 6.688 14.106 ( 1.650 -5.095 -0.606) 5.390 14.569 ( -4.573 -3.465 -1.813) 6.017 14.935 ( -2.450 10.742 0.328) 11.023 15.245 ( -4.769 11.783 5.325) 13.782 18.885 ( 4.016 -0.412 -0.213) 4.043 19.120 ( -2.883 0.520 -1.262) 3.189 19.472 ( 1.079 -2.974 -7.520) 8.158 19.601 ( -0.389 1.835 -6.273) 6.547 21.221 ( -0.889 -2.416 3.719) 4.523 21.321 ( -1.076 1.999 7.269) 7.616 21.790 ( 2.893 0.390 -0.378) 2.943 21.977 ( -2.259 0.132 -2.135) 3.111 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 17.307 3.906 1.078) 17.775 2.226 ( 7.289 -2.642 3.642) 8.565 2.451 ( -11.504 -1.722 5.093) 12.698 2.634 ( -15.002 -1.459 7.923) 17.028 2.991 ( 9.177 8.272 1.380) 12.431 3.422 ( -14.257 16.332 4.531) 22.148 3.812 ( 1.228 0.203 -12.178) 12.241 4.103 ( -4.880 12.380 -5.140) 14.265 4.494 ( 5.223 -6.784 -2.163) 8.831 4.786 ( 1.738 2.112 -0.853) 2.865 4.948 ( 15.469 -5.938 -2.800) 16.805 5.125 ( 14.775 4.430 -2.932) 15.701 5.327 ( -13.622 2.868 -3.994) 14.482 5.527 ( 22.024 3.771 -4.480) 22.790 5.589 ( -12.606 6.139 -6.089) 15.286 5.885 ( 7.335 6.803 -19.520) 21.934 6.032 ( -14.646 6.860 -10.041) 19.036 6.136 ( -20.275 -1.119 -8.524) 22.022 7.074 ( 1.388 -1.665 5.040) 5.487 7.192 ( -5.273 1.448 6.887) 8.794 7.706 ( 4.923 -11.323 -4.284) 13.069 7.786 ( -1.249 -9.838 -4.144) 10.748 7.964 ( 0.500 -10.169 1.591) 10.305 8.085 ( 3.273 -13.076 5.634) 14.609 8.322 ( 0.342 2.931 3.490) 4.570 8.426 ( -2.086 0.153 0.584) 2.172 8.576 ( 0.579 5.526 2.031) 5.916 8.594 ( 1.066 5.089 4.552) 6.910 9.118 ( 0.836 -2.891 6.913) 7.540 9.248 ( -0.244 2.559 12.358) 12.622 10.363 ( 1.163 -8.281 -3.384) 9.021 10.431 ( 0.026 -5.528 -0.898) 5.600 12.751 ( 1.713 0.449 9.027) 9.199 12.787 ( -1.579 0.227 8.568) 8.716 13.839 ( 6.216 1.542 2.155) 6.757 13.958 ( -4.824 2.476 2.743) 6.076 14.231 ( 6.185 -9.989 -4.689) 12.650 14.484 ( -3.617 -6.893 -1.393) 7.908 14.911 ( -0.304 8.239 -0.204) 8.247 15.165 ( -2.540 12.365 6.570) 14.230 18.963 ( 3.515 -0.017 -1.184) 3.709 19.056 ( -3.177 1.361 -0.500) 3.492 19.490 ( 0.555 -3.215 -7.996) 8.636 19.591 ( -0.433 1.282 -4.916) 5.098 21.210 ( -0.242 -2.895 3.595) 4.622 21.308 ( -0.301 1.542 7.004) 7.178 21.851 ( 2.962 0.274 -1.007) 3.140 21.924 ( -2.818 0.837 -1.000) 3.105 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 29.626 1.225) 29.651 1.460 ( 0.000 31.199 8.470) 32.328 2.584 ( 0.000 44.237 25.019) 50.822 2.985 ( 0.000 -20.257 -7.896) 21.742 3.059 ( 0.000 -11.976 -3.263) 12.413 3.789 ( 0.000 4.520 -8.964) 10.039 3.979 ( 0.000 -2.590 2.535) 3.624 4.127 ( 0.000 11.079 -20.626) 23.413 4.566 ( 0.000 18.983 -2.889) 19.202 4.974 ( 0.000 -8.605 -26.553) 27.912 5.075 ( 0.000 1.758 -5.738) 6.001 5.344 ( 0.000 1.723 -10.696) 10.834 5.492 ( 0.000 10.333 4.453) 11.252 5.740 ( 0.000 -4.216 -18.175) 18.658 5.951 ( 0.000 -11.699 22.104) 25.009 6.163 ( 0.000 -6.461 -11.728) 13.390 6.378 ( 0.000 18.545 -4.936) 19.191 6.575 ( 0.000 2.378 1.982) 3.096 6.972 ( 0.000 7.730 13.001) 15.126 7.046 ( 0.000 -16.305 14.164) 21.598 7.508 ( 0.000 -6.047 6.844) 9.133 7.511 ( 0.000 -7.117 -0.315) 7.124 7.801 ( 0.000 -11.450 15.358) 19.157 7.826 ( 0.000 -12.848 -0.824) 12.874 8.036 ( 0.000 -5.405 1.643) 5.649 8.121 ( 0.000 -7.279 0.268) 7.284 8.660 ( 0.000 6.972 -2.065) 7.271 8.984 ( 0.000 8.643 -3.991) 9.520 9.180 ( 0.000 -3.839 0.909) 3.945 9.208 ( 0.000 3.415 4.454) 5.612 9.763 ( 0.000 1.906 0.106) 1.909 10.034 ( 0.000 -5.852 -1.138) 5.961 12.682 ( 0.000 0.325 5.721) 5.730 12.744 ( 0.000 -0.659 1.900) 2.011 13.185 ( 0.000 6.376 1.688) 6.595 13.568 ( 0.000 -7.245 9.590) 12.019 14.240 ( 0.000 2.956 0.653) 3.028 14.585 ( 0.000 -8.867 -0.418) 8.877 15.575 ( 0.000 9.255 0.414) 9.264 15.832 ( 0.000 2.650 -7.096) 7.574 18.780 ( 0.000 1.095 0.603) 1.250 18.919 ( 0.000 -2.623 -0.496) 2.669 19.540 ( 0.000 2.210 -4.345) 4.875 19.591 ( 0.000 2.624 -9.211) 9.577 21.322 ( 0.000 1.766 3.667) 4.070 21.484 ( 0.000 -3.671 6.285) 7.278 21.774 ( 0.000 1.381 -1.089) 1.759 21.848 ( 0.000 -0.748 -2.538) 2.646 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.622 26.743 1.979) 26.865 1.563 ( 7.956 28.323 11.532) 31.599 2.783 ( 10.101 21.001 10.886) 25.721 2.865 ( 0.914 -2.165 -1.519) 2.798 3.172 ( 3.462 -16.533 4.092) 17.380 3.658 ( -5.733 -3.476 -7.612) 10.143 3.861 ( -5.352 6.915 -13.020) 15.684 4.212 ( -0.845 12.537 -8.390) 15.109 4.584 ( 1.095 16.766 -7.085) 18.235 4.834 ( -6.536 1.206 -19.528) 20.628 5.036 ( -9.788 -7.828 2.183) 12.722 5.325 ( -6.535 11.688 -2.686) 13.658 5.417 ( 0.551 8.114 -12.738) 15.113 5.758 ( 2.079 -3.445 -16.921) 17.393 5.963 ( 0.003 -8.793 14.004) 16.536 6.225 ( -4.851 9.251 -1.577) 10.564 6.350 ( 5.894 0.081 -10.134) 11.724 6.528 ( -3.564 1.461 1.621) 4.179 6.955 ( -0.872 -3.255 9.670) 10.241 7.104 ( 3.512 -8.723 13.912) 16.791 7.484 ( -2.419 -6.243 1.971) 6.980 7.538 ( 2.119 -6.403 3.984) 7.833 7.699 ( -3.443 -8.936 9.148) 13.244 7.818 ( -1.991 -13.354 2.152) 13.672 8.128 ( 3.189 -7.286 -0.524) 7.970 8.206 ( 8.990 -5.422 3.655) 11.116 8.668 ( 0.567 7.399 -1.621) 7.596 8.886 ( -6.862 11.525 0.916) 13.444 9.103 ( -1.779 -3.145 -1.229) 3.817 9.293 ( 0.612 -1.071 5.127) 5.273 9.873 ( 9.178 -3.986 -2.864) 10.408 10.096 ( 5.339 -5.251 -0.607) 7.513 12.695 ( 1.064 0.534 6.056) 6.172 12.762 ( 1.599 -0.586 3.225) 3.647 13.269 ( 8.041 4.388 -0.029) 9.161 13.603 ( 3.477 -6.802 8.893) 11.724 14.220 ( -1.816 2.798 0.387) 3.358 14.568 ( -1.719 -8.791 -0.101) 8.958 15.522 ( -5.815 9.304 -1.810) 11.120 15.715 ( -8.823 7.874 -1.745) 11.953 18.770 ( 0.524 1.628 0.700) 1.848 18.998 ( 5.373 -4.853 -1.502) 7.394 19.506 ( -2.349 2.587 -5.843) 6.808 19.617 ( 1.477 1.619 -7.128) 7.457 21.290 ( -2.848 0.796 3.128) 4.305 21.446 ( -2.915 -1.094 7.022) 7.681 21.750 ( -0.338 2.484 -0.828) 2.641 21.917 ( 3.861 -2.785 -2.933) 5.592 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 14.184 12.059 7.694) 20.144 1.756 ( 11.391 23.452 9.406) 27.717 2.634 ( -11.298 -20.415 -3.367) 23.574 3.069 ( -4.057 -13.033 8.361) 16.007 3.272 ( 12.873 20.086 -0.187) 23.858 3.718 ( 6.874 3.939 -12.052) 14.423 3.852 ( 7.338 5.993 -11.455) 14.865 4.135 ( -1.181 8.577 -1.325) 8.759 4.447 ( -12.832 7.156 -8.584) 17.017 4.712 ( -9.702 -0.755 -5.440) 11.149 4.969 ( 1.476 14.603 1.018) 14.712 5.077 ( -6.670 8.628 -2.632) 11.219 5.460 ( -4.252 9.795 -9.039) 13.989 5.793 ( 0.763 3.651 -9.541) 10.244 5.903 ( -1.921 0.584 -9.422) 9.633 6.064 ( -9.757 9.682 0.232) 13.748 6.431 ( -1.060 -3.490 -9.620) 10.288 6.524 ( 1.699 -5.998 2.400) 6.680 6.930 ( -1.382 -5.892 3.101) 6.800 7.172 ( 4.577 -11.948 12.408) 17.823 7.436 ( -1.244 -8.344 0.457) 8.449 7.561 ( -2.539 -5.937 2.491) 6.921 7.683 ( 0.784 -10.901 4.401) 11.782 7.772 ( -0.666 -10.012 6.230) 11.811 8.206 ( 4.421 -4.528 0.243) 6.333 8.360 ( 5.725 -4.359 3.828) 8.151 8.675 ( 0.146 7.624 -0.384) 7.635 8.781 ( -3.438 9.898 1.377) 10.568 9.074 ( -1.281 -1.818 -0.106) 2.227 9.280 ( -0.532 -0.944 8.391) 8.461 10.034 ( 5.918 -9.364 -4.119) 11.818 10.209 ( 4.955 -5.904 -0.207) 7.711 12.717 ( 1.097 1.114 7.119) 7.289 12.794 ( 1.266 -0.575 5.247) 5.429 13.479 ( 11.833 1.569 -1.471) 12.027 13.707 ( 6.931 -5.810 6.359) 11.056 14.172 ( -2.830 2.396 0.022) 3.709 14.514 ( -3.665 -8.375 0.393) 9.150 15.349 ( -9.739 11.503 -3.919) 15.573 15.569 ( -5.860 9.875 4.217) 12.232 18.813 ( 3.450 1.665 0.166) 3.834 19.083 ( 2.733 -5.013 -1.924) 6.025 19.461 ( -1.913 1.693 -6.651) 7.124 19.633 ( 0.016 0.737 -5.267) 5.318 21.228 ( -2.896 -0.506 2.403) 3.797 21.391 ( -2.349 0.979 7.704) 8.114 21.766 ( 1.700 2.290 -0.670) 2.930 21.967 ( 1.041 -2.789 -2.770) 4.066 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 17.426 2.125 11.872) 21.193 2.022 ( 14.457 15.667 4.129) 21.714 2.451 ( -5.061 -17.271 2.282) 18.141 2.895 ( -12.836 -7.310 4.848) 15.547 3.316 ( -5.505 15.851 -10.771) 19.939 3.803 ( -1.667 9.090 -12.805) 15.792 3.992 ( 0.592 4.230 -9.560) 10.471 4.152 ( -4.050 4.575 -0.314) 6.118 4.456 ( 19.099 -2.378 -0.151) 19.247 4.576 ( 0.087 -1.371 -6.535) 6.678 4.802 ( -3.708 11.535 9.950) 15.678 5.169 ( -8.037 9.473 -1.105) 12.472 5.358 ( 11.164 17.489 -3.850) 21.102 5.764 ( -15.646 7.410 0.024) 17.312 5.864 ( 1.524 6.917 -17.293) 18.687 5.932 ( 2.129 5.330 -15.747) 16.760 6.330 ( -11.080 -8.036 1.569) 13.777 6.440 ( -7.855 4.715 -10.511) 13.943 6.959 ( 3.961 -6.297 1.425) 7.574 7.277 ( 3.961 -12.271 7.438) 14.886 7.390 ( -5.672 -8.285 1.828) 10.206 7.496 ( 0.853 -11.268 -0.604) 11.316 7.697 ( 0.672 -12.916 2.590) 13.190 7.801 ( 1.972 -8.305 6.582) 10.779 8.288 ( 3.511 -1.769 2.326) 4.568 8.429 ( 1.045 -3.291 3.300) 4.776 8.680 ( 0.542 6.386 0.741) 6.451 8.736 ( -1.366 8.309 0.008) 8.421 9.063 ( 0.354 -0.889 3.344) 3.478 9.281 ( 0.323 0.219 11.226) 11.232 10.118 ( 2.864 -10.614 -3.824) 11.639 10.277 ( 1.864 -6.975 0.615) 7.246 12.740 ( 1.180 1.317 7.983) 8.176 12.806 ( -0.130 -0.330 6.953) 6.962 13.706 ( 10.158 1.397 0.451) 10.264 13.878 ( 9.762 -5.327 1.492) 11.221 14.108 ( -3.656 2.023 0.351) 4.193 14.425 ( -5.095 -7.861 0.527) 9.382 15.183 ( -6.343 10.794 -3.418) 12.977 15.461 ( -4.947 9.195 5.612) 11.855 18.895 ( 4.332 1.646 -0.684) 4.684 19.107 ( -0.304 -2.173 -1.324) 2.563 19.434 ( -0.743 -0.667 -7.689) 7.753 19.621 ( -0.973 0.251 -3.748) 3.880 21.183 ( -1.624 -1.387 2.110) 3.002 21.352 ( -1.505 1.138 8.028) 8.247 21.810 ( 2.472 1.618 -0.926) 3.096 21.965 ( -1.054 -1.530 -1.958) 2.699 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 18.115 1.529 9.310) 20.425 2.268 ( 5.569 3.669 0.560) 6.693 2.392 ( -2.842 -2.661 8.536) 9.382 2.601 ( -12.917 -0.231 4.205) 13.586 3.228 ( 0.075 13.523 -9.338) 16.434 3.724 ( -13.904 11.437 4.311) 18.513 3.832 ( 2.803 1.427 -17.407) 17.689 4.121 ( -3.726 -10.226 -15.186) 18.683 4.596 ( 1.825 13.055 3.786) 13.715 4.816 ( -2.588 2.185 0.066) 3.388 4.866 ( 18.709 0.427 3.573) 19.052 5.209 ( 10.786 3.500 6.050) 12.852 5.392 ( -9.108 4.110 -1.976) 10.185 5.666 ( 1.296 8.806 -8.753) 12.483 5.756 ( -1.592 9.942 -7.261) 12.413 6.016 ( -10.302 -1.964 -9.212) 13.959 6.085 ( 3.919 8.970 -13.367) 16.568 6.269 ( -9.308 12.133 -11.967) 19.418 7.037 ( 3.076 -2.729 0.627) 4.159 7.216 ( -5.207 0.158 4.917) 7.163 7.394 ( 3.189 -17.701 -0.033) 17.985 7.517 ( -0.444 -16.224 -1.250) 16.279 7.740 ( 3.717 -13.799 3.755) 14.777 7.807 ( -1.765 -11.711 4.902) 12.818 8.350 ( 2.745 0.535 3.459) 4.448 8.412 ( -2.118 -1.219 2.057) 3.194 8.696 ( 0.784 4.859 0.940) 5.010 8.718 ( -0.539 6.842 1.368) 6.998 9.078 ( 0.716 -0.549 4.283) 4.377 9.285 ( 0.048 1.245 13.740) 13.796 10.157 ( 1.007 -11.271 -4.159) 12.055 10.294 ( 0.227 -7.407 1.812) 7.629 12.765 ( 1.256 0.919 8.169) 8.316 12.793 ( -1.022 0.306 8.146) 8.216 13.882 ( 7.465 2.427 1.547) 8.001 14.009 ( -4.267 1.897 -0.293) 4.679 14.075 ( 6.306 -4.895 -0.306) 7.989 14.318 ( -4.869 -8.083 0.850) 9.474 15.099 ( -2.055 8.647 -3.619) 9.597 15.384 ( -2.262 9.026 6.559) 11.384 18.974 ( 3.052 1.121 -2.072) 3.855 19.081 ( -1.747 0.918 0.069) 1.974 19.428 ( 0.006 -2.728 -8.704) 9.121 19.603 ( -0.610 0.060 -2.698) 2.767 21.162 ( -0.493 -1.840 2.100) 2.835 21.332 ( -0.525 0.928 8.171) 8.240 21.858 ( 2.048 0.431 -1.854) 2.796 21.934 ( -1.623 0.063 -0.656) 1.751 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 33.149 -10.295) 34.711 2.075 ( 0.000 30.088 5.061) 30.510 2.472 ( 0.000 -29.575 -11.017) 31.560 2.643 ( 0.000 -25.513 2.497) 25.635 3.382 ( 0.000 31.599 14.974) 34.967 3.781 ( 0.000 -8.132 -2.121) 8.404 4.080 ( 0.000 10.064 -5.701) 11.567 4.246 ( 0.000 -2.610 -15.504) 15.723 4.746 ( 0.000 0.186 -7.303) 7.306 4.802 ( 0.000 -6.691 -19.361) 20.484 5.255 ( 0.000 17.940 -1.407) 17.995 5.496 ( 0.000 10.357 -4.236) 11.190 5.535 ( 0.000 -9.476 -13.383) 16.398 5.674 ( 0.000 -2.013 1.026) 2.259 5.813 ( 0.000 0.609 3.939) 3.986 5.955 ( 0.000 -12.199 -5.338) 13.316 6.596 ( 0.000 1.017 2.854) 3.030 6.681 ( 0.000 -5.020 1.129) 5.146 6.884 ( 0.000 16.985 0.592) 16.996 7.133 ( 0.000 4.807 5.549) 7.342 7.357 ( 0.000 -9.902 4.776) 10.993 7.386 ( 0.000 -6.735 10.273) 12.284 7.572 ( 0.000 -7.465 5.711) 9.398 7.590 ( 0.000 -7.519 14.004) 15.895 7.970 ( 0.000 -0.745 1.775) 1.925 8.005 ( 0.000 -4.039 1.282) 4.238 8.817 ( 0.000 8.046 -5.101) 9.527 8.963 ( 0.000 -6.362 -5.131) 8.174 9.254 ( 0.000 5.437 -0.031) 5.437 9.281 ( 0.000 2.376 0.855) 2.525 9.801 ( 0.000 2.929 0.647) 3.000 9.902 ( 0.000 -6.750 -0.008) 6.750 12.699 ( 0.000 1.259 3.863) 4.063 12.725 ( 0.000 -1.220 2.618) 2.888 13.315 ( 0.000 6.538 3.729) 7.527 13.441 ( 0.000 -6.145 5.855) 8.488 14.315 ( 0.000 4.725 0.414) 4.744 14.429 ( 0.000 -6.784 0.066) 6.785 15.733 ( 0.000 6.423 -0.602) 6.451 15.825 ( 0.000 -2.770 -2.562) 3.773 18.815 ( 0.000 2.228 -0.085) 2.230 18.865 ( 0.000 -2.728 -0.374) 2.754 19.582 ( 0.000 1.852 -4.880) 5.220 19.607 ( 0.000 -0.514 -6.257) 6.279 21.365 ( 0.000 2.497 3.977) 4.696 21.419 ( 0.000 -2.962 4.810) 5.649 21.803 ( 0.000 1.424 -1.526) 2.088 21.829 ( 0.000 -1.175 -2.057) 2.369 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.11 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -5.281 31.143 -7.031) 32.360 2.143 ( 4.729 28.806 6.824) 29.979 2.358 ( -8.312 -27.819 -8.829) 30.347 2.709 ( 2.775 -25.997 6.126) 26.853 3.425 ( 3.993 17.237 3.182) 17.978 3.665 ( -5.866 3.205 -7.626) 10.141 4.009 ( -0.402 6.160 -8.323) 10.362 4.361 ( 1.478 0.441 -7.045) 7.212 4.693 ( -6.624 -0.401 -12.120) 13.818 4.784 ( 0.285 -2.949 -7.049) 7.646 5.231 ( -1.352 18.096 -5.213) 18.881 5.481 ( -4.618 -1.506 -2.035) 5.266 5.540 ( 0.423 1.304 -1.544) 2.064 5.707 ( 6.451 3.844 -11.347) 13.607 5.816 ( 0.100 -0.240 4.095) 4.103 6.058 ( 8.715 -14.749 -5.202) 17.904 6.518 ( -6.278 3.775 2.080) 7.615 6.664 ( -3.264 -5.145 0.692) 6.132 6.786 ( -7.207 12.449 -0.116) 14.385 7.078 ( -5.830 -3.836 -0.910) 7.038 7.366 ( 1.933 -5.267 9.502) 11.035 7.433 ( 0.618 -3.728 7.975) 8.825 7.547 ( -0.262 -4.583 11.301) 12.197 7.583 ( 0.265 -7.423 6.667) 9.981 8.012 ( 4.610 -3.374 -0.263) 5.719 8.112 ( 8.042 -2.866 4.073) 9.459 8.823 ( 0.373 7.320 -4.857) 8.793 8.982 ( 1.587 -4.734 -4.442) 6.682 9.100 ( -9.039 5.537 1.129) 10.660 9.295 ( -2.223 -0.290 3.804) 4.415 9.849 ( 4.440 0.915 -1.921) 4.923 9.988 ( 6.369 -4.640 0.798) 7.920 12.712 ( 1.264 0.958 4.061) 4.359 12.747 ( 1.747 -0.825 3.980) 4.424 13.370 ( 5.522 5.256 2.576) 8.047 13.487 ( 4.548 -5.238 5.412) 8.799 14.289 ( -2.396 3.951 -0.243) 4.628 14.418 ( -1.251 -6.055 0.756) 6.229 15.659 ( -6.724 4.025 -2.734) 8.300 15.792 ( -3.289 1.033 0.575) 3.495 18.822 ( 1.400 3.321 -0.290) 3.615 18.907 ( 3.268 -4.234 -0.666) 5.390 19.547 ( -2.385 1.323 -6.120) 6.700 19.628 ( 0.983 -0.060 -4.608) 4.712 21.307 ( -4.268 0.664 2.530) 5.006 21.424 ( -0.433 -0.820 6.170) 6.239 21.804 ( 0.612 2.872 -1.387) 3.247 21.861 ( 2.247 -2.869 -2.067) 4.190 ======================= Grid point 92 (38/100) ======================= q-point: ( 0.22 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.298 22.624 1.098) 22.653 2.165 ( -7.218 -18.609 -1.554) 20.020 2.256 ( 4.272 18.782 6.648) 20.377 2.713 ( -1.048 -20.878 8.370) 22.518 3.547 ( 6.318 5.953 -14.240) 16.678 3.673 ( 5.875 -2.807 -20.323) 21.341 4.074 ( 6.102 10.152 -4.319) 12.608 4.299 ( -4.595 2.378 -4.098) 6.600 4.530 ( -8.945 1.728 -5.563) 10.675 4.683 ( -11.193 3.082 3.280) 12.064 5.201 ( -6.445 10.499 2.089) 12.495 5.363 ( 1.740 6.466 -4.304) 7.960 5.603 ( 1.103 -0.857 3.367) 3.645 5.792 ( 3.431 -0.558 -10.520) 11.079 5.920 ( 9.236 10.289 -3.307) 14.216 6.185 ( -0.380 -2.258 -7.344) 7.693 6.374 ( -9.925 0.812 -1.451) 10.063 6.516 ( -4.152 -4.483 -2.582) 6.634 6.723 ( -0.657 -3.619 -2.808) 4.628 6.951 ( -4.715 -9.468 -2.208) 10.805 7.343 ( -3.348 -0.306 5.701) 6.618 7.441 ( -0.391 -9.174 8.740) 12.677 7.522 ( -1.481 -1.475 5.062) 5.477 7.652 ( 4.231 -2.410 10.446) 11.525 8.133 ( 6.754 -2.189 -0.673) 7.132 8.268 ( 6.604 -3.460 4.247) 8.580 8.820 ( -1.016 6.463 -2.799) 7.116 8.922 ( -6.271 1.432 -2.037) 6.747 9.039 ( 2.078 0.249 1.873) 2.808 9.251 ( -0.982 -1.841 7.908) 8.179 9.933 ( 3.180 -1.340 -3.719) 5.073 10.102 ( 4.382 -3.945 1.641) 6.120 12.743 ( 1.555 1.210 5.546) 5.886 12.779 ( 1.199 -0.869 5.712) 5.901 13.531 ( 10.096 3.234 1.085) 10.656 13.616 ( 7.974 -3.806 3.745) 9.596 14.228 ( -3.517 2.820 -1.038) 4.626 14.375 ( -2.977 -4.994 1.716) 6.061 15.495 ( -8.837 3.588 -4.024) 10.352 15.701 ( -5.467 3.264 3.786) 7.408 18.875 ( 3.547 4.285 -0.612) 5.596 18.976 ( 3.390 -5.462 -1.347) 6.568 19.494 ( -2.849 1.139 -6.859) 7.514 19.635 ( -0.337 -0.185 -3.091) 3.115 21.224 ( -3.685 -0.028 1.401) 3.943 21.400 ( -1.639 0.110 7.476) 7.655 21.826 ( 1.347 3.488 -1.325) 3.967 21.901 ( 1.524 -3.672 -1.901) 4.407 ======================= Grid point 93 (39/100) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 10.395 11.443 8.416) 17.602 2.089 ( 1.717 -15.994 4.672) 16.751 2.380 ( 6.889 16.659 5.097) 18.734 2.689 ( -2.296 -13.439 5.262) 14.614 3.568 ( -2.723 11.014 -22.969) 25.618 3.804 ( 1.350 -9.461 -23.598) 25.460 4.087 ( -7.544 7.496 -6.632) 12.534 4.225 ( -11.958 0.927 4.749) 12.900 4.446 ( 4.183 -0.034 -6.630) 7.840 4.508 ( 7.517 -2.950 1.689) 8.249 5.137 ( 1.373 18.294 14.892) 23.629 5.339 ( -6.028 2.072 8.577) 10.686 5.641 ( 1.544 8.554 -9.221) 12.672 5.860 ( -0.857 -4.321 -8.884) 9.916 5.954 ( -7.981 8.177 -7.247) 13.531 6.095 ( -7.652 -1.840 -1.975) 8.114 6.202 ( 3.306 12.350 -5.764) 14.024 6.556 ( 2.905 -0.189 -14.277) 14.571 6.732 ( 2.621 -13.584 -5.758) 14.985 6.946 ( 3.566 -12.135 1.897) 12.789 7.283 ( -2.687 -0.255 3.786) 4.649 7.394 ( -2.576 -8.738 7.305) 11.677 7.494 ( -2.314 -1.083 3.435) 4.281 7.691 ( -0.825 -3.277 7.827) 8.526 8.263 ( 5.931 -0.558 0.506) 5.978 8.362 ( 2.790 -2.544 4.255) 5.689 8.782 ( -1.963 3.834 -0.148) 4.309 8.841 ( -2.359 1.162 -0.645) 2.708 9.081 ( 1.879 2.509 3.419) 4.638 9.263 ( 1.772 -1.698 11.052) 11.321 9.969 ( 0.636 -3.684 -4.652) 5.968 10.160 ( 1.579 -3.833 2.839) 5.024 12.769 ( 0.986 1.445 7.125) 7.337 12.794 ( 0.335 -0.917 6.835) 6.905 13.745 ( 10.167 2.296 0.900) 10.462 13.799 ( 10.111 -3.033 1.065) 10.609 14.153 ( -3.940 2.075 -0.661) 4.502 14.299 ( -4.631 -4.206 2.048) 6.582 15.328 ( -7.337 3.670 -4.281) 9.253 15.588 ( -5.299 3.348 5.590) 8.399 18.949 ( 3.482 3.558 -1.386) 5.168 19.040 ( 2.937 -3.994 -1.224) 5.106 19.436 ( -2.836 0.366 -7.739) 8.251 19.619 ( -1.106 -0.249 -1.911) 2.222 21.166 ( -2.099 -0.374 1.125) 2.410 21.367 ( -1.503 0.350 8.330) 8.471 21.851 ( 1.071 2.257 -1.812) 3.086 21.922 ( 0.641 -2.386 -1.149) 2.724 ======================= Grid point 94 (40/100) ======================= q-point: ( 0.44 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 14.978 4.646 10.085) 18.645 2.199 ( 5.178 -6.707 7.784) 11.506 2.466 ( -0.917 5.254 3.801) 6.550 2.595 ( -4.698 -0.975 4.857) 6.828 3.503 ( -2.385 13.625 -13.886) 19.600 3.771 ( -0.182 -6.087 -25.508) 26.224 3.869 ( -10.424 -2.913 -10.189) 14.865 3.933 ( -10.136 -1.630 1.470) 10.371 4.707 ( 16.842 0.763 -6.915) 18.222 4.835 ( 18.376 0.411 2.473) 18.547 5.060 ( -10.810 12.346 7.800) 18.169 5.224 ( -10.731 -3.577 7.564) 13.607 5.557 ( 2.011 12.982 6.381) 14.604 5.776 ( -13.208 -1.789 3.556) 13.795 5.855 ( 0.462 -2.496 -13.179) 13.421 5.974 ( 0.373 2.667 -14.668) 14.913 6.380 ( 9.116 18.645 -9.635) 22.882 6.531 ( -4.871 12.752 -14.069) 19.603 6.832 ( 4.932 -19.355 -9.306) 22.035 7.027 ( 2.969 -14.166 1.752) 14.579 7.224 ( -2.274 -1.118 4.807) 5.434 7.352 ( -2.888 1.716 5.142) 6.142 7.476 ( 2.608 -10.041 3.869) 11.072 7.625 ( -4.798 -6.634 5.342) 9.776 8.359 ( 3.192 0.397 2.195) 3.894 8.390 ( 0.133 -0.835 4.500) 4.579 8.762 ( -0.230 1.745 -0.457) 1.819 8.804 ( -1.208 1.526 1.676) 2.569 9.109 ( 0.764 2.580 3.674) 4.554 9.299 ( 1.245 0.208 13.724) 13.782 9.971 ( -0.176 -5.897 -5.553) 8.101 10.176 ( 0.256 -3.595 3.883) 5.298 12.782 ( 0.381 0.673 7.467) 7.506 12.796 ( -0.043 -0.028 7.913) 7.913 13.916 ( 6.498 0.578 -2.555) 7.007 13.997 ( 7.995 -0.620 0.147) 8.020 14.073 ( -3.289 1.821 3.344) 5.032 14.189 ( -6.095 -4.386 1.482) 7.654 15.220 ( -2.971 3.192 -4.411) 6.202 15.507 ( -2.293 3.231 6.509) 7.620 19.000 ( 1.370 1.109 -2.842) 3.344 19.087 ( 1.474 -0.108 0.489) 1.556 19.390 ( -1.420 -1.035 -8.974) 9.145 19.600 ( -0.598 -0.210 -1.227) 1.381 21.139 ( -0.648 -0.540 1.203) 1.469 21.345 ( -0.581 0.377 8.734) 8.762 21.866 ( 0.385 0.255 -2.614) 2.654 21.929 ( 0.153 -0.316 -0.128) 0.374 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 0.000 23.723) 23.723 1.395 ( 0.000 0.000 31.551) 31.551 2.285 ( 0.000 0.000 44.273) 44.273 2.986 ( 0.000 0.000 -7.904) 7.904 3.073 ( 0.000 0.000 -12.857) 12.857 3.547 ( 0.000 0.000 -11.980) 11.980 3.648 ( 0.000 0.000 -9.069) 9.069 4.054 ( 0.000 0.000 -6.116) 6.116 4.102 ( 0.000 0.000 -15.338) 15.338 4.460 ( 0.000 0.000 -30.042) 30.042 4.611 ( 0.000 0.000 6.719) 6.719 5.218 ( 0.000 0.000 -17.330) 17.330 5.246 ( 0.000 0.000 -0.880) 0.880 5.872 ( 0.000 0.000 -3.142) 3.142 5.874 ( 0.000 0.000 -8.312) 8.312 5.931 ( 0.000 0.000 -24.596) 24.596 6.072 ( 0.000 0.000 3.963) 3.963 6.937 ( 0.000 0.000 20.268) 20.268 7.050 ( 0.000 0.000 0.753) 0.753 7.668 ( 0.000 0.000 8.605) 8.605 7.773 ( 0.000 0.000 -0.285) 0.285 7.889 ( 0.000 0.000 3.774) 3.774 7.908 ( 0.000 0.000 5.457) 5.457 7.920 ( 0.000 0.000 -0.052) 0.052 8.352 ( 0.000 0.000 4.586) 4.586 8.501 ( 0.000 0.000 3.576) 3.576 8.535 ( 0.000 0.000 -1.648) 1.648 8.594 ( 0.000 0.000 4.616) 4.616 9.520 ( 0.000 0.000 -3.753) 3.753 9.566 ( 0.000 0.000 1.296) 1.296 9.574 ( 0.000 0.000 5.535) 5.535 10.057 ( 0.000 0.000 -4.201) 4.201 12.774 ( 0.000 0.000 0.334) 0.334 12.961 ( 0.000 0.000 -3.400) 3.400 12.975 ( 0.000 0.000 16.075) 16.075 14.135 ( 0.000 0.000 -1.204) 1.204 14.368 ( 0.000 0.000 2.249) 2.249 14.828 ( 0.000 0.000 -4.180) 4.180 15.173 ( 0.000 0.000 2.444) 2.444 15.309 ( 0.000 0.000 2.758) 2.758 18.857 ( 0.000 0.000 0.817) 0.817 18.967 ( 0.000 0.000 -0.873) 0.873 19.194 ( 0.000 0.000 -2.868) 2.868 19.371 ( 0.000 0.000 -6.137) 6.137 21.385 ( 0.000 0.000 5.324) 5.324 21.686 ( 0.000 0.000 -0.037) 0.037 21.723 ( 0.000 0.000 -0.933) 0.933 21.814 ( 0.000 0.000 -1.852) 1.852 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 26.092 0.000 19.546) 32.601 1.545 ( 13.964 0.000 27.434) 30.783 2.302 ( 5.982 0.000 45.539) 45.931 3.099 ( 11.299 0.000 -10.805) 15.634 3.115 ( 3.280 0.000 -16.042) 16.374 3.464 ( -7.704 0.000 -6.916) 10.353 3.646 ( -0.482 0.000 -3.112) 3.149 3.984 ( -9.476 0.000 -16.402) 18.942 4.020 ( -1.756 0.000 -8.224) 8.409 4.541 ( 4.980 0.000 -20.600) 21.194 4.553 ( -5.413 0.000 4.769) 7.214 5.121 ( -9.727 0.000 -7.545) 12.310 5.125 ( -7.166 0.000 -15.445) 17.027 5.710 ( -15.883 0.000 -7.596) 17.606 5.735 ( -10.186 0.000 -7.594) 12.705 5.843 ( -6.183 0.000 -5.451) 8.242 6.144 ( 2.162 0.000 -14.879) 15.036 7.021 ( 5.783 0.000 18.122) 19.022 7.072 ( 1.664 0.000 -1.125) 2.008 7.647 ( -4.010 0.000 7.548) 8.547 7.733 ( 0.078 0.000 5.801) 5.802 7.832 ( -0.861 0.000 3.743) 3.841 7.978 ( 3.862 0.000 1.158) 4.032 8.076 ( 10.029 0.000 1.754) 10.181 8.333 ( -1.197 0.000 3.520) 3.718 8.451 ( -5.170 0.000 0.461) 5.190 8.507 ( -0.461 0.000 1.397) 1.471 8.574 ( -1.780 0.000 5.397) 5.683 9.307 ( -4.065 0.000 5.655) 6.965 9.512 ( -4.534 0.000 6.743) 8.126 9.981 ( 19.935 0.000 -9.729) 22.183 10.123 ( 5.413 0.000 -3.979) 6.718 12.809 ( 3.203 0.000 1.133) 3.398 12.973 ( -0.135 0.000 15.943) 15.944 13.072 ( 10.406 0.000 -5.371) 11.710 14.144 ( 0.627 0.000 -0.618) 0.881 14.357 ( -0.779 0.000 1.483) 1.675 14.854 ( 2.288 0.000 -3.370) 4.073 14.930 ( -17.452 0.000 9.492) 19.866 15.338 ( -0.599 0.000 2.508) 2.579 18.826 ( -0.415 0.000 1.874) 1.920 19.109 ( 9.432 0.000 -6.825) 11.642 19.176 ( -1.710 0.000 -2.715) 3.209 19.374 ( 0.259 0.000 -6.358) 6.364 21.384 ( -0.065 0.000 5.512) 5.513 21.603 ( -7.007 0.000 3.945) 8.041 21.699 ( 1.271 0.000 -0.087) 1.274 21.893 ( 3.464 0.000 -4.582) 5.744 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 6.991 0.000 29.783) 30.593 1.901 ( 20.075 0.000 19.155) 27.747 2.669 ( 23.596 0.000 27.510) 36.243 3.059 ( -13.107 0.000 -17.552) 21.906 3.336 ( 7.589 0.000 -15.018) 16.827 3.378 ( 3.387 0.000 -3.499) 4.870 3.642 ( 3.775 0.000 7.085) 8.028 3.747 ( -14.019 0.000 -3.733) 14.507 4.117 ( 13.868 0.000 -7.519) 15.775 4.422 ( -6.143 0.000 -1.014) 6.226 4.605 ( 2.276 0.000 -8.328) 8.633 4.949 ( -7.706 0.000 -19.982) 21.417 4.992 ( -5.526 0.000 -13.504) 14.590 5.398 ( -12.968 0.000 -8.187) 15.336 5.473 ( -14.187 0.000 -10.544) 17.676 5.681 ( -9.070 0.000 -5.260) 10.484 6.134 ( -2.786 0.000 -21.515) 21.695 7.019 ( -9.388 0.000 13.115) 16.129 7.093 ( 0.157 0.000 -5.464) 5.466 7.555 ( -1.448 0.000 9.822) 9.928 7.766 ( -2.003 0.000 2.806) 3.448 7.850 ( 1.943 0.000 5.054) 5.415 7.998 ( 0.210 0.000 0.267) 0.340 8.239 ( 2.882 0.000 1.536) 3.266 8.330 ( 0.898 0.000 3.351) 3.470 8.407 ( 3.525 0.000 1.028) 3.672 8.495 ( -0.749 0.000 -0.515) 0.909 8.559 ( 1.337 0.000 6.831) 6.961 9.311 ( 3.010 0.000 10.083) 10.523 9.445 ( -1.689 0.000 9.817) 9.961 10.236 ( 5.299 0.000 -3.785) 6.511 10.273 ( 9.350 0.000 -9.146) 13.079 12.888 ( 4.221 0.000 3.425) 5.436 12.973 ( 0.216 0.000 15.616) 15.618 13.337 ( 14.860 0.000 -7.049) 16.447 14.141 ( -1.364 0.000 1.038) 1.714 14.355 ( 0.849 0.000 -0.452) 0.962 14.602 ( -13.752 0.000 13.097) 18.991 14.904 ( 2.430 0.000 -1.538) 2.875 15.285 ( -4.219 0.000 3.485) 5.472 18.846 ( 1.977 0.000 1.160) 2.292 19.131 ( -2.655 0.000 -2.343) 3.541 19.266 ( 5.760 0.000 -10.312) 11.811 19.379 ( 0.201 0.000 -6.923) 6.925 21.384 ( 0.073 0.000 5.975) 5.975 21.490 ( -4.085 0.000 6.599) 7.761 21.734 ( 2.110 0.000 -0.250) 2.125 21.928 ( 0.318 0.000 -4.426) 4.437 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 6.718 0.000 23.171) 24.125 2.303 ( 18.736 0.000 10.273) 21.368 2.696 ( -20.160 0.000 -7.742) 21.596 2.901 ( 0.285 0.000 20.758) 20.760 3.323 ( -5.634 0.000 -11.514) 12.819 3.413 ( -9.002 0.000 1.621) 9.147 3.554 ( 3.467 0.000 1.506) 3.780 3.923 ( 12.177 0.000 5.291) 13.277 4.298 ( 8.147 0.000 3.410) 8.832 4.598 ( 19.121 0.000 -14.304) 23.879 4.669 ( 1.618 0.000 -8.011) 8.172 4.779 ( -5.284 0.000 -11.979) 13.092 4.955 ( 7.405 0.000 -7.418) 10.482 5.234 ( -4.544 0.000 -22.656) 23.107 5.253 ( -6.522 0.000 -14.168) 15.597 5.492 ( -9.061 0.000 -7.028) 11.467 6.034 ( -7.809 0.000 -19.321) 20.840 6.652 ( -24.942 0.000 8.846) 26.464 7.082 ( -0.850 0.000 -9.032) 9.072 7.495 ( -13.023 0.000 4.080) 13.647 7.662 ( 2.074 0.000 1.127) 2.360 7.880 ( 0.377 0.000 4.445) 4.461 8.060 ( 3.970 0.000 -0.516) 4.003 8.217 ( -2.530 0.000 -0.571) 2.594 8.366 ( 2.599 0.000 6.241) 6.761 8.467 ( -0.832 0.000 0.813) 1.164 8.552 ( 6.779 0.000 2.600) 7.261 8.618 ( 3.523 0.000 7.068) 7.897 9.386 ( 3.726 0.000 13.376) 13.886 9.439 ( 0.696 0.000 12.547) 12.567 10.328 ( 3.859 0.000 -3.528) 5.229 10.389 ( 2.955 0.000 -5.817) 6.525 12.963 ( 2.982 0.000 7.049) 7.654 12.983 ( 0.763 0.000 15.020) 15.039 13.630 ( 13.432 0.000 -5.257) 14.424 14.087 ( -3.741 0.000 2.235) 4.358 14.381 ( 1.139 0.000 -2.111) 2.399 14.403 ( -5.909 0.000 9.339) 11.051 14.947 ( 1.938 0.000 0.829) 2.108 15.184 ( -5.499 0.000 4.043) 6.826 18.895 ( 2.769 0.000 0.224) 2.778 19.073 ( -2.980 0.000 -1.863) 3.514 19.345 ( 2.347 0.000 -10.281) 10.546 19.382 ( 0.053 0.000 -7.675) 7.675 21.388 ( 0.309 0.000 6.492) 6.500 21.433 ( -1.813 0.000 7.138) 7.365 21.781 ( 2.460 0.000 -0.580) 2.528 21.915 ( -1.406 0.000 -3.251) 3.542 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 10.036 0.000 11.248) 15.074 2.292 ( -16.967 0.000 2.429) 17.140 2.643 ( 12.745 0.000 1.401) 12.822 2.832 ( -6.135 0.000 12.094) 13.561 3.219 ( -2.760 0.000 1.420) 3.104 3.244 ( -5.145 0.000 16.223) 17.019 3.684 ( 7.584 0.000 -3.496) 8.351 3.862 ( -9.512 0.000 2.382) 9.806 4.528 ( 3.558 0.000 -7.483) 8.286 4.577 ( -4.168 0.000 -8.117) 9.124 4.880 ( 8.283 0.000 -12.498) 14.994 4.884 ( 12.728 0.000 -16.085) 20.512 5.158 ( -3.400 0.000 -22.744) 22.997 5.163 ( -4.683 0.000 -5.975) 7.592 5.384 ( 19.018 0.000 -14.465) 23.894 5.483 ( 21.883 0.000 -0.151) 21.883 5.776 ( -18.499 0.000 -10.771) 21.406 6.083 ( -30.571 0.000 3.469) 30.767 7.086 ( 2.182 0.000 -9.425) 9.675 7.213 ( -11.153 0.000 -4.778) 12.133 7.761 ( 5.439 0.000 2.028) 5.805 7.852 ( -3.195 0.000 2.525) 4.072 8.122 ( 2.411 0.000 -1.348) 2.762 8.168 ( -2.295 0.000 -1.087) 2.539 8.417 ( 2.125 0.000 6.045) 6.408 8.448 ( -1.056 0.000 3.170) 3.342 8.654 ( 2.971 0.000 5.037) 5.848 8.670 ( 1.197 0.000 6.532) 6.640 9.443 ( 1.697 0.000 14.617) 14.716 9.454 ( 0.375 0.000 14.179) 14.184 10.389 ( 2.180 0.000 -3.361) 4.006 10.414 ( -0.152 0.000 -3.881) 3.884 13.000 ( 0.667 0.000 13.674) 13.690 13.001 ( 0.772 0.000 10.943) 10.971 13.855 ( 8.827 0.000 -0.988) 8.882 13.995 ( -5.541 0.000 1.943) 5.872 14.356 ( 0.529 0.000 2.348) 2.407 14.382 ( -1.112 0.000 -2.022) 2.308 14.994 ( 3.081 0.000 3.085) 4.360 15.076 ( -4.964 0.000 4.093) 6.434 18.953 ( 2.957 0.000 -0.612) 3.020 19.013 ( -3.012 0.000 -1.299) 3.281 19.373 ( 0.736 0.000 -9.432) 9.460 19.381 ( -0.154 0.000 -8.526) 8.527 21.396 ( 0.499 0.000 6.888) 6.906 21.409 ( -0.812 0.000 7.107) 7.153 21.831 ( 2.467 0.000 -1.170) 2.730 21.878 ( -2.185 0.000 -2.077) 3.015 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 18.242 19.192) 26.479 1.508 ( 0.000 4.130 29.317) 29.606 2.494 ( 0.000 24.133 38.961) 45.830 3.001 ( 0.000 1.252 -6.136) 6.263 3.079 ( 0.000 -5.449 -14.761) 15.735 3.398 ( 0.000 -2.727 -15.885) 16.118 3.689 ( 0.000 -1.054 -9.606) 9.663 4.164 ( 0.000 19.404 0.972) 19.428 4.333 ( 0.000 -11.897 -2.554) 12.168 4.386 ( 0.000 17.218 -16.879) 24.111 4.466 ( 0.000 -10.155 -23.565) 25.660 5.243 ( 0.000 1.005 -19.771) 19.796 5.422 ( 0.000 13.615 2.857) 13.911 5.566 ( 0.000 -18.712 -1.648) 18.784 5.847 ( 0.000 0.205 -17.528) 17.529 6.013 ( 0.000 6.709 -11.712) 13.497 6.337 ( 0.000 14.784 4.036) 15.325 6.811 ( 0.000 -12.098 16.438) 20.410 7.082 ( 0.000 2.263 3.012) 3.767 7.616 ( 0.000 -7.425 9.651) 12.176 7.648 ( 0.000 -7.889 0.734) 7.923 7.756 ( 0.000 -6.745 6.532) 9.390 7.941 ( 0.000 -1.805 -0.912) 2.022 7.990 ( 0.000 2.870 0.585) 2.929 8.214 ( 0.000 -8.097 3.563) 8.846 8.316 ( 0.000 -11.344 2.982) 11.730 8.701 ( 0.000 3.744 5.782) 6.888 8.709 ( 0.000 11.524 -1.389) 11.608 9.351 ( 0.000 -9.461 0.891) 9.503 9.421 ( 0.000 -10.258 5.308) 11.550 9.699 ( 0.000 5.627 1.398) 5.798 10.054 ( 0.000 -1.170 -3.730) 3.909 12.769 ( 0.000 -0.407 0.186) 0.447 12.852 ( 0.000 -4.629 4.138) 6.209 13.122 ( 0.000 8.329 8.386) 11.820 14.029 ( 0.000 -12.107 6.098) 13.556 14.242 ( 0.000 -2.484 3.427) 4.233 14.730 ( 0.000 -7.978 -2.908) 8.491 15.411 ( 0.000 8.293 1.416) 8.413 15.434 ( 0.000 16.793 -5.937) 17.811 18.819 ( 0.000 -2.250 1.475) 2.690 18.948 ( 0.000 -1.732 -0.915) 1.959 19.290 ( 0.000 7.112 -5.896) 9.238 19.389 ( 0.000 1.630 -6.013) 6.230 21.392 ( 0.000 0.740 5.179) 5.232 21.658 ( 0.000 -2.578 1.618) 3.044 21.730 ( 0.000 0.676 -1.018) 1.222 21.805 ( 0.000 -0.705 -2.089) 2.205 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 13.224 1.495 23.954) 27.403 1.664 ( 10.896 6.380 27.011) 29.817 2.604 ( 11.681 27.081 32.518) 43.900 2.971 ( 0.848 -8.588 -8.117) 11.847 3.213 ( 6.273 0.902 -20.221) 21.191 3.366 ( 0.451 -2.426 -6.840) 7.272 3.685 ( -0.584 0.298 -7.539) 7.568 4.051 ( -11.780 6.480 1.561) 13.535 4.126 ( -8.356 6.723 -12.148) 16.205 4.428 ( 1.912 -1.878 -3.945) 4.770 4.641 ( 9.898 6.368 -25.393) 27.988 5.133 ( -10.702 1.577 -10.823) 15.302 5.270 ( -11.429 7.965 -3.127) 14.277 5.472 ( -7.974 -10.113 -6.376) 14.370 5.831 ( -3.887 5.805 -10.464) 12.582 5.937 ( -7.395 5.037 -13.146) 15.901 6.263 ( -5.967 9.878 -4.041) 12.228 6.911 ( 7.787 -10.720 15.564) 20.440 7.087 ( -0.190 0.098 1.104) 1.125 7.611 ( -1.134 -6.878 0.919) 7.031 7.627 ( -3.735 -5.785 11.540) 13.438 7.740 ( 2.590 -6.865 4.532) 8.624 7.956 ( -1.814 -4.266 2.930) 5.484 8.038 ( 5.286 -4.821 1.030) 7.228 8.232 ( 1.568 -5.225 0.249) 5.461 8.340 ( 3.115 -6.860 2.775) 8.029 8.643 ( -4.382 9.662 1.324) 10.692 8.683 ( -1.982 6.069 3.934) 7.499 9.233 ( -2.620 -5.467 5.506) 8.190 9.496 ( -0.811 -3.348 6.574) 7.421 9.888 ( 15.101 -5.641 -5.385) 16.996 10.121 ( 5.816 -1.219 -3.501) 6.897 12.800 ( 2.992 -0.656 1.280) 3.320 12.901 ( 3.674 -4.228 7.031) 8.989 13.176 ( 6.077 7.400 3.706) 10.268 14.051 ( 2.084 -12.341 6.546) 14.124 14.213 ( -2.669 -2.004 3.020) 4.501 14.726 ( -0.878 -8.371 -1.856) 8.620 15.227 ( -11.864 16.828 -0.229) 20.591 15.464 ( -0.914 10.652 0.125) 10.692 18.803 ( -0.065 -1.565 1.824) 2.404 19.036 ( 5.680 -4.074 -3.400) 7.773 19.278 ( -0.880 5.866 -6.242) 8.610 19.403 ( 1.224 2.707 -6.667) 7.299 21.381 ( -1.017 -0.175 5.387) 5.485 21.601 ( -5.044 -0.476 4.482) 6.764 21.703 ( 0.611 0.573 -0.502) 0.977 21.879 ( 3.593 -1.287 -4.135) 5.627 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 19.304 -7.740 23.010) 31.017 1.845 ( 8.489 6.969 27.429) 29.546 2.831 ( 0.185 5.328 2.294) 5.804 3.021 ( 3.791 -13.692 -5.894) 15.381 3.208 ( 2.188 14.148 -5.299) 15.265 3.526 ( 0.630 -3.246 2.284) 4.019 3.651 ( 4.243 2.306 -5.836) 7.575 3.861 ( -3.550 11.656 -2.264) 12.393 4.093 ( 8.757 0.413 -6.918) 11.167 4.460 ( 0.451 7.097 -4.227) 8.273 4.780 ( 0.982 12.501 -10.334) 16.249 4.887 ( -8.369 -2.010 -12.772) 15.401 5.051 ( -8.790 2.146 -6.060) 10.890 5.339 ( -4.375 0.944 -17.217) 17.790 5.600 ( -16.689 9.044 -7.707) 20.487 5.786 ( -7.829 8.321 -8.427) 14.197 6.148 ( -5.425 1.345 -17.410) 18.285 6.964 ( -8.456 -5.465 12.953) 16.406 7.069 ( 0.486 -3.719 -3.853) 5.377 7.527 ( -0.981 -3.871 8.196) 9.117 7.641 ( 1.109 -8.798 3.042) 9.374 7.771 ( -3.176 -7.391 3.616) 8.821 7.956 ( 3.203 -6.640 3.288) 8.072 8.056 ( -1.900 -10.980 3.101) 11.567 8.303 ( 4.623 -3.670 0.169) 5.905 8.448 ( 6.524 0.691 0.802) 6.609 8.580 ( -1.407 7.777 2.743) 8.366 8.635 ( -2.350 6.271 3.440) 7.528 9.235 ( 1.922 -5.288 8.944) 10.567 9.484 ( 0.618 1.666 10.296) 10.448 10.126 ( 7.840 -9.176 -6.063) 13.506 10.256 ( 6.733 -2.152 -3.795) 8.023 12.874 ( 3.897 -0.988 4.326) 5.905 12.959 ( 2.074 -1.439 11.571) 11.843 13.374 ( 12.829 3.682 -3.276) 13.743 14.096 ( 0.986 -13.723 6.383) 15.166 14.155 ( -1.695 0.635 3.127) 3.613 14.667 ( -5.259 -5.137 0.693) 7.384 15.032 ( -6.269 14.611 1.219) 15.946 15.414 ( -3.579 10.395 1.864) 11.151 18.827 ( 2.204 -1.266 1.017) 2.738 19.106 ( 0.818 -2.868 -3.123) 4.318 19.272 ( 0.508 1.485 -7.956) 8.110 19.429 ( 1.117 3.650 -7.761) 8.649 21.356 ( -1.302 -2.055 5.970) 6.446 21.517 ( -2.948 1.929 6.536) 7.425 21.732 ( 1.995 0.024 -0.510) 2.060 21.922 ( 0.837 -0.726 -4.271) 4.412 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 6.943 7.789 21.490) 23.890 2.174 ( 19.474 -8.295 16.035) 26.555 2.642 ( -12.155 -1.776 -5.866) 13.613 3.020 ( -5.913 -7.404 -1.429) 9.583 3.149 ( -8.853 1.639 3.738) 9.749 3.463 ( -0.209 0.452 2.633) 2.680 3.698 ( -2.694 13.446 -5.035) 14.608 4.051 ( 12.104 4.849 0.182) 13.040 4.362 ( 5.588 5.191 -1.498) 7.773 4.502 ( 14.803 1.743 -1.574) 14.988 4.728 ( -1.759 -0.777 -11.798) 11.954 4.813 ( 0.220 5.698 -6.378) 8.556 5.062 ( 8.870 9.453 -6.915) 14.692 5.254 ( -4.551 5.298 -22.748) 23.796 5.344 ( -4.634 7.651 -15.059) 17.516 5.596 ( -10.705 8.483 -7.102) 15.395 6.029 ( -7.180 -0.378 -19.680) 20.952 6.616 ( -23.585 -3.462 8.761) 25.397 7.061 ( -1.152 -2.395 -7.839) 8.277 7.475 ( -13.840 -2.558 0.660) 14.090 7.601 ( 4.707 -5.965 4.940) 9.063 7.767 ( 2.546 -9.741 4.357) 10.970 7.988 ( -0.900 -8.843 0.561) 8.906 8.085 ( 4.146 -9.333 4.362) 11.105 8.365 ( 1.873 -1.012 0.417) 2.169 8.531 ( -1.365 2.651 2.488) 3.884 8.583 ( 3.453 4.245 3.223) 6.350 8.639 ( 3.016 3.073 4.478) 6.213 9.286 ( 2.670 -5.832 11.497) 13.165 9.517 ( 2.122 3.609 13.558) 14.189 10.234 ( 3.564 -8.666 -4.711) 10.487 10.360 ( 3.540 -2.893 -2.830) 5.377 12.942 ( 2.680 -1.091 8.960) 9.416 12.993 ( 1.406 0.097 11.877) 11.960 13.644 ( 12.894 1.513 -4.150) 13.630 14.052 ( -3.345 -5.544 0.285) 6.482 14.187 ( 2.843 -4.411 8.160) 9.702 14.542 ( -6.269 -0.702 0.819) 6.361 14.963 ( -1.557 6.454 1.519) 6.811 15.334 ( -4.097 10.970 2.445) 11.963 18.880 ( 2.901 -0.944 -0.153) 3.055 19.087 ( -2.065 0.566 -1.743) 2.761 19.289 ( 0.918 -2.618 -8.964) 9.384 19.443 ( 0.341 3.438 -8.211) 8.908 21.335 ( -0.751 -3.310 6.522) 7.352 21.478 ( -1.179 2.577 7.180) 7.719 21.777 ( 2.348 -0.198 -0.932) 2.534 21.920 ( -0.895 0.185 -3.184) 3.312 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 9.128 7.539 10.712) 15.966 2.311 ( -9.474 1.725 5.040) 10.869 2.608 ( 11.447 -1.741 5.782) 12.942 2.828 ( -10.020 -1.885 8.236) 13.107 3.027 ( -2.943 -6.772 4.296) 8.542 3.437 ( -2.900 4.415 -1.706) 5.551 3.715 ( 5.102 7.850 4.320) 10.311 3.992 ( -9.219 5.150 -1.202) 10.628 4.451 ( 2.528 1.220 -3.135) 4.207 4.665 ( -5.429 2.724 -8.989) 10.849 4.874 ( 13.698 0.030 -9.105) 16.448 4.935 ( 14.177 5.649 -15.579) 21.808 5.137 ( -6.031 3.763 -19.014) 20.299 5.289 ( -9.919 6.025 -11.607) 16.414 5.462 ( 23.883 4.595 -4.438) 24.723 5.527 ( 14.101 7.756 -8.495) 18.198 5.820 ( -14.019 4.461 -13.697) 20.101 6.076 ( -29.041 -0.563 5.068) 29.485 7.052 ( 0.802 -3.116 -8.752) 9.325 7.211 ( -9.335 -0.167 -5.941) 11.066 7.709 ( 4.980 -6.225 4.646) 9.227 7.782 ( -1.527 -7.264 4.387) 8.622 7.971 ( -0.436 -8.870 -0.463) 8.893 8.143 ( 1.393 -8.607 0.707) 8.747 8.409 ( 2.737 0.700 3.635) 4.604 8.474 ( -3.239 1.137 3.961) 5.241 8.648 ( 1.871 2.266 4.301) 5.209 8.695 ( 1.661 1.302 4.267) 4.761 9.327 ( 1.174 -6.018 12.435) 13.865 9.551 ( 0.983 4.189 15.441) 16.030 10.280 ( 1.128 -8.878 -4.271) 9.917 10.404 ( 0.990 -2.571 -1.654) 3.213 12.980 ( 1.031 -0.881 11.339) 11.420 13.013 ( 0.434 0.211 12.548) 12.558 13.860 ( 8.245 0.470 -1.993) 8.496 13.980 ( -4.189 -2.022 -1.469) 4.878 14.242 ( 2.290 -3.535 7.532) 8.630 14.438 ( -3.551 -2.001 -0.804) 4.155 14.947 ( -0.229 2.570 2.281) 3.444 15.267 ( -2.011 11.722 2.649) 12.185 18.933 ( 1.993 -1.107 -1.485) 2.721 19.043 ( -1.795 2.125 -0.601) 2.846 19.302 ( 0.346 -3.649 -9.221) 9.923 19.445 ( -0.011 3.021 -8.183) 8.723 21.326 ( -0.196 -3.805 6.795) 7.790 21.464 ( -0.309 2.525 7.416) 7.840 21.820 ( 1.669 -0.711 -1.890) 2.620 21.895 ( -1.223 1.185 -1.712) 2.415 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 6.484 25.991) 26.788 1.688 ( 0.000 25.544 12.284) 28.344 2.778 ( 0.000 -21.329 -11.401) 24.185 2.928 ( 0.000 -2.440 -6.377) 6.828 3.180 ( 0.000 30.157 28.170) 41.267 3.428 ( 0.000 3.019 -20.989) 21.205 3.829 ( 0.000 13.577 -8.302) 15.915 4.071 ( 0.000 -11.873 5.536) 13.100 4.324 ( 0.000 -2.649 -31.915) 32.025 4.562 ( 0.000 13.924 -0.694) 13.941 4.738 ( 0.000 17.462 -16.573) 24.074 5.200 ( 0.000 -4.446 -24.192) 24.597 5.276 ( 0.000 -5.410 0.546) 5.438 5.698 ( 0.000 11.760 7.050) 13.711 5.832 ( 0.000 -2.386 -17.955) 18.113 6.257 ( 0.000 17.881 -6.603) 19.061 6.419 ( 0.000 -19.222 18.379) 26.594 6.614 ( 0.000 5.535 1.137) 5.650 7.129 ( 0.000 2.050 0.816) 2.206 7.334 ( 0.000 -18.700 10.876) 21.632 7.540 ( 0.000 -2.748 3.104) 4.146 7.659 ( 0.000 -4.344 7.292) 8.487 7.823 ( 0.000 -8.774 0.979) 8.828 7.975 ( 0.000 -5.660 0.517) 5.683 8.079 ( 0.000 -5.529 2.507) 6.071 8.131 ( 0.000 -6.242 1.667) 6.461 8.722 ( 0.000 0.195 6.760) 6.763 8.897 ( 0.000 5.166 -3.517) 6.250 9.213 ( 0.000 -2.563 2.436) 3.536 9.299 ( 0.000 -1.589 4.057) 4.357 9.776 ( 0.000 2.423 1.189) 2.699 9.998 ( 0.000 -4.285 -2.192) 4.813 12.763 ( 0.000 -0.204 -0.014) 0.205 12.785 ( 0.000 -2.171 2.733) 3.491 13.292 ( 0.000 8.653 9.350) 12.739 13.796 ( 0.000 -10.033 10.847) 14.776 14.256 ( 0.000 2.408 0.918) 2.577 14.565 ( 0.000 -7.979 -1.607) 8.139 15.580 ( 0.000 7.982 -0.151) 7.984 15.679 ( 0.000 7.632 -6.740) 10.182 18.797 ( 0.000 0.012 0.911) 0.911 18.905 ( 0.000 -2.497 -0.853) 2.639 19.409 ( 0.000 4.371 -7.454) 8.641 19.427 ( 0.000 2.005 -5.918) 6.249 21.416 ( 0.000 1.741 4.905) 5.205 21.595 ( 0.000 -3.529 3.764) 5.160 21.747 ( 0.000 0.927 -1.332) 1.622 21.791 ( 0.000 -0.660 -2.513) 2.599 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.297 10.001 22.636) 24.749 1.897 ( 12.223 18.100 17.948) 28.269 2.684 ( -5.382 -19.013 -6.485) 20.797 3.059 ( 4.930 -0.338 -12.633) 13.565 3.203 ( 4.618 9.226 7.777) 12.920 3.435 ( 1.317 7.786 -1.168) 7.983 3.683 ( -9.188 1.233 -1.288) 9.360 4.146 ( 1.664 11.704 -7.197) 13.840 4.221 ( -3.612 -2.298 -20.230) 20.678 4.564 ( 0.638 10.461 -4.342) 11.344 4.880 ( 10.222 14.478 -18.819) 25.851 5.085 ( -10.246 -0.190 -5.169) 11.478 5.285 ( 1.671 -0.600 -16.113) 16.211 5.551 ( -13.274 10.642 7.496) 18.591 5.880 ( 3.435 -2.314 -18.833) 19.283 6.157 ( -9.757 17.961 -6.502) 21.449 6.432 ( -7.500 1.869 9.253) 12.057 6.600 ( 6.485 -15.460 6.938) 18.144 7.057 ( -5.883 -3.834 -0.298) 7.029 7.359 ( 1.360 -17.327 8.534) 19.362 7.538 ( -2.178 -2.143 4.413) 5.367 7.647 ( 0.610 -3.282 5.648) 6.560 7.836 ( -6.171 -6.066 3.162) 9.212 7.879 ( 1.981 -9.966 3.185) 10.648 8.122 ( 2.795 -5.730 0.429) 6.390 8.254 ( 8.850 -3.498 0.844) 9.554 8.719 ( -0.417 1.725 5.192) 5.487 8.863 ( -3.048 7.889 -1.873) 8.663 9.144 ( -1.920 -2.851 4.842) 5.938 9.401 ( 4.534 -4.006 4.824) 7.738 9.828 ( 5.447 -1.025 -1.009) 5.633 10.070 ( 5.915 -3.711 -1.877) 7.231 12.788 ( 2.710 -0.582 1.638) 3.220 12.838 ( 4.352 -1.954 3.423) 5.872 13.332 ( 4.255 8.019 7.142) 11.551 13.820 ( 2.221 -9.704 10.586) 14.532 14.231 ( -2.258 2.198 0.655) 3.219 14.559 ( -0.756 -7.804 -0.827) 7.884 15.480 ( -8.406 9.119 -1.987) 12.561 15.670 ( -1.496 8.425 -2.547) 8.928 18.790 ( 0.275 0.458 1.080) 1.205 18.959 ( 3.924 -3.794 -2.129) 5.859 19.368 ( -2.508 3.253 -6.383) 7.590 19.464 ( 1.920 2.814 -7.159) 7.928 21.382 ( -2.955 0.311 5.064) 5.872 21.579 ( -1.531 -1.605 5.134) 5.592 21.727 ( -0.055 1.781 -1.224) 2.162 21.847 ( 3.252 -1.791 -3.356) 5.005 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 15.218 2.698 20.728) 25.855 2.097 ( 7.433 16.821 20.340) 27.421 2.594 ( -3.817 -19.407 -0.057) 19.779 2.995 ( -5.806 3.204 -22.394) 23.356 3.290 ( -8.471 -10.311 8.413) 15.775 3.478 ( 8.906 -7.693 -4.179) 12.489 3.669 ( 7.239 10.035 -8.301) 14.900 4.143 ( 0.872 9.016 -14.501) 17.098 4.240 ( 5.032 14.711 7.187) 17.128 4.617 ( 2.506 7.157 -11.253) 13.570 4.835 ( -8.285 2.252 -2.558) 8.959 5.108 ( 5.879 18.448 -11.366) 22.452 5.214 ( -9.158 13.490 1.276) 16.355 5.384 ( 2.248 2.504 -19.944) 20.226 5.808 ( -16.014 8.637 -6.909) 19.463 5.971 ( -3.360 11.945 -14.904) 19.394 6.192 ( -12.913 3.388 -5.109) 14.294 6.757 ( 1.567 -17.388 14.781) 22.876 6.921 ( -4.487 -9.559 -5.312) 11.821 7.375 ( -0.751 -14.080 2.295) 14.286 7.462 ( -1.822 -8.060 6.959) 10.803 7.643 ( -3.306 -2.843 4.716) 6.423 7.757 ( -1.674 -8.022 2.172) 8.478 7.907 ( 1.433 -6.755 5.321) 8.718 8.212 ( 5.387 -4.402 0.790) 7.001 8.420 ( 7.161 -3.355 1.365) 8.025 8.712 ( 0.094 4.818 3.127) 5.745 8.790 ( -3.956 8.230 -0.010) 9.132 9.148 ( 1.750 -2.981 7.036) 7.839 9.475 ( 3.704 -2.449 9.508) 10.494 9.951 ( 5.566 -6.808 -3.200) 9.358 10.193 ( 5.680 -3.850 -1.276) 6.979 12.860 ( 3.978 -0.388 4.680) 6.154 12.926 ( 3.758 -1.596 6.915) 8.030 13.473 ( 9.632 5.791 1.917) 11.401 13.874 ( 2.825 -8.570 8.408) 12.334 14.184 ( -1.890 1.754 1.416) 2.942 14.526 ( -2.728 -7.083 0.915) 7.645 15.296 ( -8.922 10.387 -1.260) 13.750 15.617 ( -3.566 8.839 0.201) 9.534 18.819 ( 2.470 0.794 0.388) 2.623 19.028 ( 2.746 -4.501 -3.146) 6.140 19.316 ( -2.577 2.418 -6.367) 7.282 19.492 ( 0.853 2.486 -7.488) 7.936 21.320 ( -2.786 -1.405 5.686) 6.486 21.545 ( -1.575 0.709 6.549) 6.773 21.746 ( 1.565 1.478 -1.294) 2.512 21.897 ( 1.605 -1.828 -3.571) 4.321 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 17.366 -1.051 19.275) 25.965 2.227 ( 6.999 12.130 14.574) 20.212 2.540 ( -0.275 -9.455 6.021) 11.213 2.902 ( -4.844 1.157 -16.311) 17.054 3.089 ( -8.920 -8.167 3.350) 12.549 3.493 ( -4.218 -3.061 -11.009) 12.180 3.881 ( 3.944 2.934 -4.520) 6.677 4.126 ( 1.483 7.540 -2.765) 8.167 4.404 ( 3.607 -0.627 -1.467) 3.944 4.609 ( 3.151 3.417 5.356) 7.091 4.836 ( 6.095 11.214 -15.057) 19.738 5.034 ( 1.524 18.536 -0.525) 18.606 5.298 ( 1.634 12.097 -5.772) 13.503 5.404 ( -3.123 7.452 -21.131) 22.623 5.550 ( -0.086 13.827 -13.891) 19.600 5.788 ( -14.502 10.695 -2.861) 18.245 6.035 ( -3.193 1.885 -21.079) 21.403 6.518 ( -19.238 -6.572 8.973) 22.221 6.949 ( 1.419 -10.859 -4.605) 11.880 7.334 ( -4.100 -11.474 -1.763) 12.312 7.457 ( -0.387 -9.923 4.809) 11.034 7.580 ( 0.027 -5.967 8.705) 10.554 7.749 ( 0.855 -10.634 1.869) 10.831 7.926 ( -0.122 -7.790 4.443) 8.969 8.317 ( 4.785 -2.409 0.984) 5.446 8.519 ( 1.925 -2.766 4.046) 5.266 8.712 ( -0.808 5.258 1.641) 5.567 8.742 ( 0.564 7.331 1.150) 7.442 9.193 ( 2.265 -2.904 8.830) 9.568 9.554 ( 3.773 -0.076 13.568) 14.083 10.033 ( 2.672 -10.044 -3.865) 11.089 10.283 ( 3.220 -4.436 -0.062) 5.482 12.931 ( 2.873 0.029 8.499) 8.972 12.983 ( 2.050 -0.963 9.729) 9.989 13.690 ( 10.855 3.001 -2.008) 11.440 13.917 ( 1.352 -5.995 1.570) 6.343 14.175 ( 1.219 0.802 6.328) 6.494 14.450 ( -4.730 -5.626 2.828) 7.876 15.144 ( -6.008 8.896 -0.743) 10.761 15.538 ( -3.953 8.739 1.325) 9.682 18.877 ( 2.944 0.822 -0.937) 3.197 19.067 ( 1.155 -2.625 -2.461) 3.779 19.268 ( -2.088 0.370 -7.271) 7.574 19.498 ( -0.145 2.032 -7.308) 7.587 21.278 ( -1.438 -2.284 6.271) 6.827 21.519 ( -1.040 1.458 7.416) 7.629 21.781 ( 1.729 0.652 -1.857) 2.619 21.914 ( 0.238 -0.825 -2.658) 2.794 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 9.237 7.098 11.934) 16.677 2.360 ( 3.315 3.515 9.130) 10.330 2.617 ( 5.746 2.473 9.919) 11.727 2.748 ( -9.088 -4.162 9.562) 13.833 2.989 ( -0.149 2.050 -10.511) 10.710 3.408 ( -4.284 -5.546 -11.916) 13.824 3.829 ( -0.894 -4.439 -4.542) 6.413 4.040 ( -9.867 7.366 10.792) 16.373 4.533 ( 10.852 0.501 -8.777) 13.966 4.764 ( -3.162 8.748 -3.094) 9.803 4.902 ( 11.390 4.411 -2.538) 12.476 5.122 ( 5.046 11.243 -23.081) 26.165 5.254 ( -7.945 6.029 -13.630) 16.890 5.365 ( -12.149 2.541 -15.549) 19.895 5.582 ( 18.894 8.462 3.840) 21.055 5.780 ( 9.621 15.434 -13.560) 22.686 5.953 ( -6.410 8.144 -16.851) 19.783 6.078 ( -23.006 2.398 8.914) 24.789 6.960 ( 0.491 -7.276 -7.944) 10.783 7.201 ( -5.767 -1.507 -6.005) 8.461 7.498 ( 2.852 -12.150 8.409) 15.049 7.583 ( -0.815 -12.466 7.313) 14.475 7.798 ( 3.239 -9.737 1.830) 10.424 7.897 ( -2.310 -12.860 2.976) 13.400 8.401 ( 3.360 -0.931 1.620) 3.845 8.500 ( -2.465 1.401 5.584) 6.262 8.718 ( 0.838 1.530 0.706) 1.882 8.762 ( 0.694 6.986 2.633) 7.498 9.227 ( 0.925 -3.323 9.512) 10.118 9.611 ( 1.597 1.845 16.062) 16.247 10.065 ( 0.697 -11.937 -4.416) 12.747 10.324 ( 0.982 -4.727 1.017) 4.934 12.969 ( 0.911 -0.165 10.243) 10.284 13.011 ( 0.749 -0.222 11.971) 11.996 13.850 ( 3.695 -2.172 -5.876) 7.273 13.945 ( 1.752 0.047 -2.232) 2.838 14.226 ( 3.395 0.382 10.878) 11.402 14.346 ( -4.987 -4.897 4.064) 8.085 15.061 ( -2.117 6.611 -0.786) 6.986 15.476 ( -1.841 8.641 1.748) 9.006 18.924 ( 1.438 0.216 -2.446) 2.845 19.078 ( 0.103 1.150 -0.293) 1.192 19.238 ( -0.789 -2.610 -8.875) 9.284 19.493 ( -0.225 1.737 -7.049) 7.263 21.260 ( -0.394 -2.636 6.600) 7.118 21.504 ( -0.364 1.576 7.884) 8.048 21.808 ( 0.845 -0.464 -2.802) 2.963 21.913 ( -0.183 0.493 -1.361) 1.460 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 19.778 9.793) 22.070 2.177 ( 0.000 14.328 2.270) 14.506 2.340 ( 0.000 -13.112 1.408) 13.187 2.684 ( 0.000 -19.238 0.602) 19.247 3.521 ( 0.000 6.181 -20.013) 20.945 3.601 ( 0.000 3.999 -0.938) 4.108 3.980 ( 0.000 5.938 2.005) 6.267 4.053 ( 0.000 4.821 -4.195) 6.391 4.395 ( 0.000 8.234 -16.216) 18.187 4.563 ( 0.000 -8.455 -9.000) 12.349 5.007 ( 0.000 9.339 -16.721) 19.153 5.113 ( 0.000 -3.567 -20.647) 20.953 5.496 ( 0.000 19.713 4.577) 20.237 5.738 ( 0.000 -4.090 -10.641) 11.400 5.844 ( 0.000 -0.064 7.918) 7.918 5.988 ( 0.000 -18.276 8.120) 19.999 6.644 ( 0.000 16.923 -5.425) 17.771 6.717 ( 0.000 3.507 6.696) 7.559 7.000 ( 0.000 -9.914 8.120) 12.814 7.093 ( 0.000 -8.249 -5.778) 10.071 7.517 ( 0.000 0.288 6.809) 6.815 7.570 ( 0.000 -4.310 7.594) 8.732 7.700 ( 0.000 -0.107 5.445) 5.446 7.809 ( 0.000 -8.856 4.618) 9.987 8.013 ( 0.000 -0.761 1.816) 1.969 8.042 ( 0.000 -3.274 1.700) 3.689 8.770 ( 0.000 4.650 1.825) 4.995 8.876 ( 0.000 -5.026 -1.969) 5.397 9.259 ( 0.000 4.138 0.754) 4.207 9.300 ( 0.000 0.033 1.086) 1.086 9.819 ( 0.000 2.670 1.050) 2.869 9.899 ( 0.000 -5.110 -0.296) 5.118 12.759 ( 0.000 -0.135 0.365) 0.389 12.761 ( 0.000 -0.458 1.369) 1.443 13.460 ( 0.000 8.236 10.105) 13.036 13.621 ( 0.000 -8.123 10.680) 13.418 14.323 ( 0.000 4.208 0.154) 4.211 14.424 ( 0.000 -6.105 -0.638) 6.139 15.708 ( 0.000 4.636 -1.808) 4.976 15.754 ( 0.000 0.361 -4.066) 4.082 18.814 ( 0.000 1.599 0.065) 1.601 18.855 ( 0.000 -2.392 -0.530) 2.450 19.460 ( 0.000 1.066 -6.191) 6.282 19.462 ( 0.000 1.058 -6.889) 6.970 21.462 ( 0.000 2.790 4.727) 5.489 21.525 ( 0.000 -3.471 4.554) 5.726 21.765 ( 0.000 0.802 -1.874) 2.038 21.779 ( 0.000 -0.635 -2.402) 2.484 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.11 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -2.204 19.843 9.898) 22.284 2.241 ( -2.098 -20.530 -0.934) 20.658 2.330 ( 6.802 19.827 9.055) 22.834 2.805 ( 9.102 -18.967 0.163) 21.038 3.334 ( -12.892 3.461 -15.563) 20.503 3.472 ( -11.848 -1.585 -0.187) 11.955 3.903 ( -1.754 13.411 -7.981) 15.704 4.138 ( -1.948 -7.080 -9.948) 12.365 4.417 ( 6.397 11.237 -10.058) 16.381 4.625 ( 5.335 -0.667 -11.323) 12.535 5.093 ( 3.471 8.199 -9.776) 13.222 5.158 ( 4.604 1.167 -15.263) 15.985 5.485 ( 0.938 17.207 -2.646) 17.435 5.706 ( -9.659 2.554 7.814) 12.684 5.801 ( 3.490 -1.517 -10.897) 11.543 6.078 ( 7.023 -21.520 8.640) 24.230 6.538 ( -10.086 15.770 -3.212) 18.993 6.645 ( -7.711 8.566 0.622) 11.542 6.883 ( -9.183 -11.636 2.882) 15.101 7.036 ( -4.295 -13.667 0.397) 14.332 7.540 ( -1.845 1.603 5.108) 5.663 7.580 ( 2.296 -2.946 8.034) 8.859 7.685 ( -3.691 -6.351 2.785) 7.856 7.779 ( 1.643 -1.051 6.622) 6.903 8.034 ( 4.353 -2.548 2.640) 5.693 8.175 ( 8.334 -3.257 1.148) 9.021 8.775 ( 0.671 3.635 0.998) 3.829 8.908 ( 1.808 -2.424 -1.662) 3.451 9.150 ( -5.079 2.279 3.762) 6.719 9.363 ( 2.368 -0.530 2.560) 3.527 9.825 ( 1.944 0.457 0.006) 1.997 9.995 ( 6.844 -2.909 -0.194) 7.439 12.779 ( 2.779 -0.246 1.803) 3.322 12.817 ( 4.207 -0.398 1.906) 4.636 13.485 ( 2.813 6.980 8.591) 11.421 13.656 ( 3.268 -6.942 10.174) 12.743 14.282 ( -3.257 2.504 -0.414) 4.130 14.432 ( 0.189 -4.441 0.513) 4.474 15.602 ( -7.668 3.179 -2.561) 8.687 15.777 ( -0.190 2.500 -2.132) 3.291 18.818 ( 1.008 2.045 -0.095) 2.282 18.888 ( 2.438 -3.081 -1.098) 4.079 19.411 ( -2.654 1.126 -6.243) 6.876 19.501 ( 1.688 0.923 -6.818) 7.084 21.391 ( -4.831 0.393 4.779) 6.807 21.549 ( 0.791 -0.986 5.330) 5.478 21.766 ( 0.681 1.993 -2.085) 2.963 21.810 ( 2.218 -1.891 -2.427) 3.794 ======================= Grid point 155 (58/100) ======================= q-point: ( 0.22 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 7.059 14.278 12.029) 19.960 2.191 ( -0.583 -19.025 5.252) 19.745 2.483 ( 5.836 19.494 12.241) 23.747 2.915 ( -0.663 -16.373 2.622) 16.595 3.126 ( -6.659 0.866 -14.841) 16.290 3.324 ( -0.539 -5.415 -10.830) 12.120 3.878 ( 0.992 10.435 -12.350) 16.199 4.088 ( -0.324 -9.587 -12.532) 15.782 4.536 ( 2.234 9.391 1.976) 9.853 4.740 ( 2.977 3.825 -11.280) 12.277 5.020 ( -6.148 11.267 -0.240) 12.838 5.280 ( 3.750 -1.341 -17.967) 18.403 5.486 ( -4.062 13.202 0.168) 13.814 5.583 ( 2.830 11.444 -6.885) 13.652 5.890 ( 3.999 4.560 -9.336) 11.133 6.191 ( 0.166 -13.547 9.565) 16.584 6.273 ( -14.609 14.379 -8.509) 22.194 6.437 ( -8.641 -0.488 -1.245) 8.744 6.703 ( -8.219 -13.541 -2.359) 16.015 6.985 ( 0.187 -16.560 4.727) 17.222 7.448 ( -5.599 3.790 4.004) 7.858 7.584 ( -3.549 -8.438 4.204) 10.073 7.628 ( -0.528 -0.940 5.472) 5.577 7.836 ( 1.837 -0.360 4.804) 5.155 8.152 ( 6.773 -1.435 2.964) 7.531 8.335 ( 7.248 -3.725 1.790) 8.343 8.799 ( 1.430 3.762 0.891) 4.122 8.883 ( -3.793 0.527 -0.944) 3.944 9.130 ( 2.494 0.835 6.399) 6.919 9.418 ( 3.790 -2.260 7.069) 8.333 9.874 ( 2.043 -1.414 -1.125) 2.728 10.124 ( 5.513 -2.365 0.448) 6.016 12.857 ( 4.540 0.026 4.465) 6.368 12.903 ( 3.770 -0.597 5.029) 6.313 13.587 ( 7.434 5.180 4.609) 10.166 13.737 ( 4.337 -5.405 7.409) 10.145 14.217 ( -2.792 1.235 0.281) 3.066 14.418 ( -1.634 -3.194 2.501) 4.373 15.433 ( -8.718 3.433 -2.023) 9.586 15.739 ( -3.334 3.126 -0.416) 4.589 18.859 ( 2.843 3.083 -0.776) 4.265 18.938 ( 2.606 -4.342 -2.104) 5.484 19.353 ( -3.205 1.033 -6.111) 6.977 19.524 ( 0.523 0.749 -6.766) 6.827 21.302 ( -3.677 -0.427 5.374) 6.526 21.550 ( -0.504 -0.025 6.397) 6.416 21.785 ( 0.942 2.092 -2.489) 3.385 21.854 ( 2.112 -2.108 -2.175) 3.693 ======================= Grid point 156 (59/100) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 14.603 6.113 15.475) 22.138 2.250 ( 6.660 -10.076 11.061) 16.377 2.574 ( 4.640 13.849 12.004) 18.906 2.857 ( -4.265 -11.911 6.669) 14.301 3.037 ( -1.622 7.587 -21.293) 22.662 3.321 ( -2.670 -10.727 -17.991) 21.116 3.936 ( -3.081 3.004 -6.539) 7.828 4.159 ( 9.948 -3.516 -9.501) 14.199 4.494 ( -8.146 8.555 8.056) 14.298 4.619 ( -3.770 -2.679 6.023) 7.593 5.039 ( 5.383 6.357 -21.086) 22.672 5.336 ( 4.633 6.177 -20.957) 22.334 5.467 ( -4.670 5.001 -3.141) 7.528 5.567 ( -5.137 7.689 -8.648) 12.661 5.836 ( -10.485 14.950 -2.768) 18.468 6.049 ( -7.393 7.956 -7.741) 13.337 6.122 ( 2.165 9.376 -8.798) 13.038 6.359 ( -4.282 -7.090 5.859) 10.145 6.623 ( 1.578 -18.207 -4.250) 18.763 7.031 ( 3.313 -14.999 4.000) 15.873 7.354 ( -3.192 2.891 3.035) 5.269 7.523 ( -1.950 -8.352 5.049) 9.952 7.581 ( -4.017 -1.018 4.578) 6.175 7.821 ( -3.326 -2.478 3.718) 5.570 8.289 ( 6.394 -0.487 2.047) 6.731 8.458 ( 4.894 -2.353 4.168) 6.846 8.787 ( -2.879 2.436 0.552) 3.812 8.845 ( 0.649 1.932 1.259) 2.395 9.189 ( 2.641 1.810 6.718) 7.442 9.518 ( 5.851 -2.511 11.248) 12.926 9.889 ( -0.629 -3.700 -1.920) 4.215 10.209 ( 2.988 -2.340 1.806) 4.203 12.941 ( 3.095 0.817 8.070) 8.682 12.961 ( 2.420 -1.091 8.318) 8.731 13.753 ( 6.763 3.119 -0.336) 7.455 13.825 ( 5.485 -3.591 0.904) 6.618 14.187 ( 0.058 0.295 4.449) 4.459 14.369 ( -3.194 -2.132 5.544) 6.744 15.268 ( -7.290 3.277 -1.775) 8.188 15.659 ( -4.089 3.173 0.791) 5.236 18.912 ( 1.961 2.326 -2.048) 3.667 19.002 ( 3.866 -3.232 -2.443) 5.600 19.282 ( -3.755 0.596 -6.243) 7.310 19.524 ( -0.408 0.593 -6.441) 6.481 21.248 ( -1.830 -0.759 5.994) 6.313 21.537 ( -0.680 0.408 7.466) 7.508 21.799 ( 0.365 0.836 -3.051) 3.184 21.893 ( 1.626 -0.949 -1.515) 2.417 ======================= Grid point 157 (60/100) ======================= q-point: ( 0.44 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 13.263 3.315 15.129) 20.391 2.406 ( 6.879 -0.500 11.717) 13.596 2.653 ( -3.308 0.276 13.054) 13.470 2.745 ( -1.329 3.076 8.298) 8.949 3.082 ( 4.057 7.037 -20.226) 21.796 3.252 ( -2.059 -9.270 -18.533) 20.824 3.693 ( -13.225 -5.164 -2.492) 14.414 4.177 ( -10.357 3.854 13.426) 17.389 4.513 ( 15.614 -0.833 -11.277) 19.278 4.847 ( 17.874 0.985 -1.351) 17.952 5.057 ( -6.434 6.843 -8.078) 12.389 5.250 ( -13.951 -0.011 -8.800) 16.494 5.334 ( -8.592 3.174 -20.925) 22.842 5.455 ( 1.990 4.528 -25.799) 26.268 5.767 ( 3.827 9.145 0.841) 9.949 5.915 ( -7.015 -3.695 -6.224) 10.080 6.211 ( 4.457 18.897 -5.474) 20.172 6.280 ( -2.910 14.857 -0.290) 15.142 6.683 ( 2.423 -20.517 -4.422) 21.127 7.079 ( 1.108 -10.652 1.718) 10.847 7.340 ( 1.977 -1.724 5.826) 6.389 7.443 ( -5.847 0.781 4.851) 7.637 7.569 ( 3.298 -10.599 3.921) 11.773 7.722 ( -5.455 -5.182 3.706) 8.387 8.389 ( 2.979 -0.243 1.178) 3.213 8.525 ( 1.636 0.897 7.270) 7.505 8.743 ( -1.180 0.814 -1.416) 2.015 8.854 ( 0.154 1.582 2.926) 3.330 9.225 ( 0.922 2.391 6.964) 7.420 9.625 ( 3.758 -0.267 15.479) 15.931 9.859 ( -1.672 -6.824 -4.430) 8.306 10.247 ( 0.900 -2.364 2.881) 3.834 12.970 ( 0.466 0.098 9.549) 9.561 13.007 ( 1.421 -0.129 11.353) 11.442 13.806 ( 0.500 -1.380 -6.446) 6.611 13.965 ( 5.403 0.979 -4.664) 7.204 14.210 ( 1.577 -1.476 8.347) 8.622 14.299 ( -3.145 -0.235 11.115) 11.554 15.159 ( -3.055 2.714 -2.054) 4.573 15.595 ( -1.899 3.100 1.308) 3.863 18.936 ( 0.543 0.612 -3.118) 3.223 19.084 ( 3.705 -0.277 -1.168) 3.895 19.206 ( -3.425 -0.618 -7.572) 8.333 19.515 ( -0.323 0.506 -6.163) 6.192 21.225 ( -0.502 -0.882 6.376) 6.456 21.526 ( -0.288 0.585 8.141) 8.167 21.802 ( 0.057 -0.160 -3.352) 3.356 21.916 ( 0.626 -0.009 -1.052) 1.224 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 0.000 21.589) 21.589 2.020 ( 0.000 0.000 27.810) 27.810 2.608 ( 0.000 0.000 -10.654) 10.654 2.664 ( 0.000 0.000 -17.777) 17.777 3.146 ( 0.000 0.000 15.745) 15.745 3.256 ( 0.000 0.000 -17.746) 17.746 3.498 ( 0.000 0.000 -5.173) 5.173 3.719 ( 0.000 0.000 -36.262) 36.262 3.890 ( 0.000 0.000 1.618) 1.618 4.252 ( 0.000 0.000 15.619) 15.619 4.688 ( 0.000 0.000 3.288) 3.288 5.074 ( 0.000 0.000 5.888) 5.888 5.271 ( 0.000 0.000 -14.641) 14.641 5.481 ( 0.000 0.000 -3.102) 3.102 5.698 ( 0.000 0.000 -7.711) 7.711 5.780 ( 0.000 0.000 -5.368) 5.368 6.063 ( 0.000 0.000 -4.439) 4.439 6.789 ( 0.000 0.000 -23.548) 23.548 7.305 ( 0.000 0.000 14.246) 14.246 7.738 ( 0.000 0.000 -0.587) 0.587 7.807 ( 0.000 0.000 3.519) 3.519 7.962 ( 0.000 0.000 3.192) 3.192 7.992 ( 0.000 0.000 1.746) 1.746 8.006 ( 0.000 0.000 5.242) 5.242 8.476 ( 0.000 0.000 7.048) 7.048 8.520 ( 0.000 0.000 0.775) 0.775 8.567 ( 0.000 0.000 2.414) 2.414 8.693 ( 0.000 0.000 3.846) 3.846 9.467 ( 0.000 0.000 -0.968) 0.968 9.573 ( 0.000 0.000 -0.753) 0.753 9.690 ( 0.000 0.000 5.343) 5.343 9.964 ( 0.000 0.000 -4.452) 4.452 12.785 ( 0.000 0.000 0.711) 0.711 12.893 ( 0.000 0.000 -2.984) 2.984 13.334 ( 0.000 0.000 17.393) 17.393 14.079 ( 0.000 0.000 -4.559) 4.559 14.426 ( 0.000 0.000 3.327) 3.327 14.727 ( 0.000 0.000 -5.252) 5.252 15.233 ( 0.000 0.000 3.208) 3.208 15.351 ( 0.000 0.000 0.991) 0.991 18.877 ( 0.000 0.000 1.027) 1.027 18.946 ( 0.000 0.000 -1.072) 1.072 19.139 ( 0.000 0.000 -2.073) 2.073 19.246 ( 0.000 0.000 -5.490) 5.490 21.496 ( 0.000 0.000 5.024) 5.024 21.679 ( 0.000 0.000 -0.802) 0.802 21.708 ( 0.000 0.000 -0.394) 0.394 21.772 ( 0.000 0.000 -2.039) 2.039 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 24.185 0.000 17.902) 30.089 2.089 ( 6.233 0.000 22.958) 23.789 2.678 ( 1.312 0.000 -16.115) 16.169 2.744 ( 11.379 0.000 -10.307) 15.353 3.135 ( 1.423 0.000 14.622) 14.691 3.351 ( 9.353 0.000 -13.174) 16.157 3.483 ( -4.580 0.000 -10.489) 11.445 3.632 ( -0.461 0.000 -10.345) 10.356 4.040 ( 9.781 0.000 -14.564) 17.543 4.190 ( -5.690 0.000 15.151) 16.184 4.602 ( -7.692 0.000 2.233) 8.010 5.009 ( -5.737 0.000 6.686) 8.810 5.155 ( -12.863 0.000 -0.336) 12.867 5.373 ( -7.688 0.000 -15.223) 17.054 5.574 ( -11.046 0.000 -6.868) 13.007 5.712 ( -6.821 0.000 -6.845) 9.663 5.924 ( -12.280 0.000 -8.697) 15.048 6.779 ( -1.144 0.000 -24.430) 24.457 7.352 ( 2.382 0.000 13.081) 13.296 7.718 ( 0.457 0.000 1.293) 1.371 7.868 ( 0.499 0.000 5.061) 5.085 7.968 ( 2.153 0.000 7.012) 7.335 7.995 ( 1.203 0.000 0.307) 1.242 8.125 ( 8.963 0.000 2.133) 9.213 8.428 ( -3.057 0.000 5.771) 6.531 8.448 ( -5.287 0.000 0.416) 5.303 8.541 ( -2.611 0.000 1.129) 2.845 8.670 ( -2.077 0.000 2.797) 3.483 9.424 ( 2.172 0.000 5.872) 6.261 9.663 ( -1.387 0.000 7.320) 7.451 9.826 ( 15.978 0.000 -6.101) 17.103 10.032 ( 5.427 0.000 -4.649) 7.146 12.832 ( 4.521 0.000 1.233) 4.686 12.977 ( 8.240 0.000 -3.828) 9.085 13.327 ( -0.519 0.000 17.143) 17.151 14.086 ( 0.498 0.000 -5.223) 5.247 14.416 ( -0.570 0.000 4.236) 4.274 14.768 ( 3.563 0.000 -4.804) 5.981 15.098 ( -10.784 0.000 7.043) 12.881 15.361 ( -0.732 0.000 -0.331) 0.803 18.864 ( -0.248 0.000 1.748) 1.766 19.007 ( 4.512 0.000 -3.566) 5.752 19.125 ( -1.380 0.000 -1.890) 2.340 19.244 ( -0.190 0.000 -5.719) 5.723 21.499 ( 0.315 0.000 5.215) 5.224 21.659 ( -3.264 0.000 1.913) 3.784 21.690 ( 1.138 0.000 -0.882) 1.440 21.808 ( 2.084 0.000 -3.528) 4.098 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 12.894 0.000 17.990) 22.133 2.233 ( 7.096 0.000 8.962) 11.431 2.695 ( -0.731 0.000 -9.250) 9.278 2.934 ( 5.823 0.000 -11.284) 12.698 3.300 ( 13.369 0.000 14.501) 19.723 3.369 ( -2.923 0.000 -5.438) 6.173 3.641 ( 18.059 0.000 -6.860) 19.318 3.715 ( 5.836 0.000 3.323) 6.715 4.098 ( 0.742 0.000 8.003) 8.037 4.228 ( 8.670 0.000 -19.046) 20.926 4.442 ( -6.069 0.000 2.546) 6.581 4.813 ( -17.931 0.000 3.666) 18.302 4.876 ( -6.941 0.000 5.265) 8.712 5.188 ( -12.317 0.000 -13.908) 18.577 5.304 ( -13.963 0.000 -4.619) 14.707 5.536 ( -10.054 0.000 -8.276) 13.023 5.674 ( -10.003 0.000 -20.682) 22.974 6.741 ( -2.462 0.000 -25.768) 25.886 7.282 ( -11.883 0.000 11.866) 16.793 7.710 ( -1.837 0.000 3.135) 3.633 7.805 ( -7.253 0.000 2.363) 7.628 8.001 ( -0.018 0.000 -0.463) 0.463 8.023 ( 2.117 0.000 8.935) 9.182 8.255 ( -0.157 0.000 0.055) 0.167 8.414 ( 5.433 0.000 0.012) 5.433 8.422 ( 2.914 0.000 5.633) 6.342 8.494 ( -1.003 0.000 -0.007) 1.003 8.657 ( 1.836 0.000 2.236) 2.893 9.533 ( 7.230 0.000 10.871) 13.056 9.664 ( 1.521 0.000 10.588) 10.697 10.108 ( 11.199 0.000 -7.226) 13.328 10.145 ( 5.415 0.000 -4.894) 7.299 12.953 ( 7.059 0.000 3.011) 7.674 13.206 ( 13.799 0.000 -5.572) 14.881 13.317 ( -0.471 0.000 16.491) 16.498 14.085 ( -0.860 0.000 -6.325) 6.383 14.417 ( 0.696 0.000 6.156) 6.195 14.849 ( 4.162 0.000 -3.901) 5.704 14.861 ( -11.855 0.000 11.588) 16.578 15.311 ( -3.993 0.000 -1.086) 4.138 18.875 ( 1.221 0.000 1.674) 2.072 19.088 ( -2.165 0.000 -1.462) 2.612 19.094 ( 3.820 0.000 -6.417) 7.468 19.237 ( -0.490 0.000 -6.268) 6.287 21.509 ( 0.611 0.000 5.664) 5.697 21.601 ( -2.296 0.000 4.295) 4.871 21.721 ( 1.835 0.000 -1.106) 2.142 21.838 ( 0.795 0.000 -4.153) 4.228 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.781 0.000 18.442) 18.458 2.346 ( 3.623 0.000 -5.648) 6.710 2.621 ( -5.213 0.000 0.365) 5.225 2.985 ( -1.588 0.000 -11.385) 11.496 3.403 ( -1.699 0.000 17.408) 17.491 3.445 ( 10.169 0.000 6.194) 11.907 3.783 ( -0.909 0.000 13.285) 13.316 3.983 ( 11.560 0.000 -3.777) 12.161 4.297 ( 11.152 0.000 -8.302) 13.903 4.367 ( 3.761 0.000 -16.814) 17.230 4.448 ( 6.077 0.000 9.779) 11.514 4.562 ( -3.794 0.000 -5.764) 6.900 4.786 ( 2.956 0.000 -6.686) 7.311 4.892 ( -14.813 0.000 -12.199) 19.190 5.135 ( -0.170 0.000 2.071) 2.078 5.336 ( -7.417 0.000 -6.890) 10.124 5.545 ( -4.205 0.000 -26.046) 26.383 6.700 ( -0.814 0.000 -25.290) 25.303 6.875 ( -26.813 0.000 11.735) 29.269 7.461 ( -21.050 0.000 -4.954) 21.625 7.762 ( 3.079 0.000 5.649) 6.434 8.020 ( -2.509 0.000 6.805) 7.253 8.033 ( 2.330 0.000 -2.312) 3.282 8.200 ( -3.231 0.000 -0.936) 3.364 8.486 ( 2.049 0.000 1.573) 2.583 8.505 ( 4.015 0.000 7.037) 8.102 8.595 ( 8.069 0.000 0.897) 8.119 8.722 ( 3.461 0.000 2.632) 4.348 9.670 ( 5.719 0.000 13.296) 14.473 9.710 ( 2.613 0.000 12.627) 12.895 10.242 ( 4.192 0.000 -4.761) 6.343 10.270 ( 5.131 0.000 -5.877) 7.802 13.098 ( 6.989 0.000 6.054) 9.247 13.308 ( -0.580 0.000 15.313) 15.324 13.499 ( 14.574 0.000 -6.766) 16.068 14.044 ( -3.338 0.000 -6.494) 7.301 14.438 ( 1.252 0.000 7.513) 7.616 14.650 ( -8.705 0.000 13.170) 15.787 14.929 ( 3.799 0.000 -2.845) 4.747 15.214 ( -5.400 0.000 -1.435) 5.588 18.907 ( 1.881 0.000 1.052) 2.155 19.041 ( -2.413 0.000 -0.939) 2.590 19.155 ( 2.233 0.000 -7.694) 8.011 19.225 ( -0.713 0.000 -6.920) 6.956 21.523 ( 0.748 0.000 6.116) 6.162 21.567 ( -1.154 0.000 5.646) 5.763 21.760 ( 1.975 0.000 -1.482) 2.469 21.842 ( -0.337 0.000 -3.712) 3.727 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -0.690 0.000 12.023) 12.042 2.332 ( -3.936 0.000 0.370) 3.953 2.627 ( 7.078 0.000 -1.846) 7.314 2.834 ( -11.519 0.000 -7.208) 13.588 3.455 ( 7.483 0.000 17.003) 18.577 3.628 ( -5.313 0.000 18.887) 19.620 3.755 ( 11.495 0.000 9.614) 14.985 4.018 ( -8.543 0.000 10.397) 13.456 4.333 ( 1.733 0.000 -12.328) 12.449 4.398 ( 0.397 0.000 -7.380) 7.390 4.506 ( -1.401 0.000 -11.086) 11.174 4.522 ( -6.098 0.000 -17.589) 18.616 4.781 ( 7.532 0.000 -14.158) 16.037 4.999 ( -9.756 0.000 -10.173) 14.094 5.126 ( 18.990 0.000 -12.296) 22.623 5.431 ( -9.184 0.000 -21.055) 22.971 5.601 ( 29.736 0.000 10.628) 31.578 6.261 ( -33.250 0.000 11.488) 35.179 6.753 ( 7.445 0.000 -20.218) 21.545 7.029 ( -19.498 0.000 -10.998) 22.386 7.845 ( 4.743 0.000 4.526) 6.556 7.942 ( -4.702 0.000 4.611) 6.585 8.082 ( 2.557 0.000 -2.614) 3.657 8.138 ( -2.967 0.000 -1.868) 3.506 8.534 ( 2.148 0.000 4.999) 5.441 8.553 ( 0.605 0.000 6.792) 6.818 8.724 ( 4.330 0.000 1.423) 4.558 8.764 ( 0.266 0.000 2.256) 2.272 9.748 ( 1.966 0.000 13.993) 14.131 9.753 ( 1.264 0.000 13.681) 13.740 10.309 ( 2.254 0.000 -4.515) 5.046 10.326 ( 0.736 0.000 -4.752) 4.809 13.219 ( 4.721 0.000 9.765) 10.846 13.285 ( -1.978 0.000 13.117) 13.265 13.763 ( 11.300 0.000 -6.909) 13.245 13.945 ( -6.804 0.000 -6.522) 9.425 14.465 ( 1.597 0.000 9.260) 9.397 14.519 ( -4.315 0.000 11.827) 12.589 15.008 ( 4.286 0.000 -1.999) 4.729 15.105 ( -5.255 0.000 -1.626) 5.501 18.948 ( 2.159 0.000 0.316) 2.182 18.993 ( -2.349 0.000 -0.356) 2.376 19.188 ( 1.245 0.000 -7.870) 7.968 19.209 ( -0.871 0.000 -7.513) 7.564 21.537 ( 0.677 0.000 6.353) 6.389 21.550 ( -0.657 0.000 6.241) 6.275 21.798 ( 1.689 0.000 -2.063) 2.667 21.826 ( -1.138 0.000 -2.865) 3.083 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 11.279 17.899) 21.156 2.043 ( 0.000 0.354 20.950) 20.953 2.672 ( 0.000 -1.132 -16.172) 16.212 2.678 ( 0.000 5.678 -9.921) 11.431 3.077 ( 0.000 -8.330 -15.741) 17.809 3.309 ( 0.000 16.211 18.663) 24.720 3.674 ( 0.000 -2.915 -34.268) 34.392 3.703 ( 0.000 7.742 7.650) 10.884 3.933 ( 0.000 11.468 -12.350) 16.854 4.454 ( 0.000 16.248 12.657) 20.596 4.556 ( 0.000 -13.436 8.564) 15.933 4.970 ( 0.000 -6.354 0.583) 6.381 5.284 ( 0.000 1.749 -23.819) 23.884 5.502 ( 0.000 -17.207 -4.014) 17.669 5.625 ( 0.000 11.900 1.626) 12.011 5.843 ( 0.000 12.584 -2.973) 12.931 6.319 ( 0.000 15.416 -5.166) 16.259 6.755 ( 0.000 -4.096 -20.906) 21.303 7.259 ( 0.000 -4.627 13.837) 14.590 7.697 ( 0.000 -5.386 -0.203) 5.390 7.717 ( 0.000 -6.721 5.060) 8.413 7.885 ( 0.000 -5.599 4.508) 7.188 7.967 ( 0.000 -4.350 2.101) 4.831 7.984 ( 0.000 -1.980 -1.039) 2.236 8.310 ( 0.000 -8.625 5.293) 10.120 8.389 ( 0.000 -11.683 3.442) 12.179 8.704 ( 0.000 9.755 1.255) 9.835 8.799 ( 0.000 5.029 3.098) 5.907 9.378 ( 0.000 -6.367 1.916) 6.649 9.489 ( 0.000 -6.851 1.343) 6.981 9.752 ( 0.000 3.979 3.249) 5.137 9.971 ( 0.000 0.002 -3.961) 3.961 12.773 ( 0.000 -0.991 0.352) 1.052 12.855 ( 0.000 -3.103 -1.806) 3.590 13.404 ( 0.000 6.257 15.841) 17.032 14.063 ( 0.000 -2.117 -2.100) 2.982 14.338 ( 0.000 -5.774 5.144) 7.733 14.653 ( 0.000 -6.396 -4.367) 7.744 15.370 ( 0.000 10.772 -0.821) 10.803 15.428 ( 0.000 6.574 0.080) 6.575 18.847 ( 0.000 -2.085 1.284) 2.449 18.926 ( 0.000 -1.787 -1.162) 2.131 19.196 ( 0.000 4.631 -3.167) 5.611 19.268 ( 0.000 1.974 -5.192) 5.555 21.498 ( 0.000 0.269 4.654) 4.662 21.664 ( 0.000 -1.303 -0.849) 1.556 21.715 ( 0.000 0.585 -0.335) 0.674 21.770 ( 0.000 -0.360 -1.375) 1.422 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 16.426 2.846 19.441) 25.610 2.117 ( 6.838 1.449 15.604) 17.099 2.672 ( -0.284 -0.875 -14.510) 14.539 2.761 ( 6.258 -0.158 -8.863) 10.851 3.144 ( 7.872 -8.384 -13.854) 18.005 3.339 ( 2.688 15.878 14.339) 21.563 3.567 ( -5.221 3.417 -17.367) 18.454 3.765 ( 5.259 7.735 4.274) 10.284 4.047 ( 7.303 6.612 -16.507) 19.224 4.366 ( -6.707 8.632 11.531) 15.889 4.516 ( -3.788 -3.390 4.789) 6.984 4.914 ( -5.247 -3.945 0.820) 6.615 5.196 ( -7.577 -2.127 -14.455) 16.458 5.453 ( -9.949 3.245 0.621) 10.484 5.515 ( -5.159 -0.438 -9.214) 10.569 5.729 ( -10.517 11.217 -5.986) 16.500 6.168 ( -13.572 15.021 -6.573) 21.285 6.758 ( -0.254 -2.721 -22.879) 23.042 7.306 ( 2.820 -5.428 13.785) 15.082 7.658 ( 0.108 -6.811 2.753) 7.347 7.787 ( -1.169 -5.439 4.258) 7.006 7.854 ( 1.055 -7.647 4.888) 9.137 7.996 ( 0.924 -4.718 1.014) 4.913 8.062 ( 5.534 -5.745 0.580) 7.998 8.270 ( -1.062 -6.947 3.641) 7.914 8.395 ( 0.468 -7.441 1.990) 7.716 8.660 ( -3.162 9.658 1.494) 10.271 8.760 ( -3.349 5.193 2.206) 6.560 9.363 ( 2.173 -4.882 6.698) 8.568 9.613 ( 5.179 -5.838 3.656) 8.618 9.818 ( 8.483 0.511 -1.102) 8.569 10.040 ( 5.799 0.083 -4.142) 7.127 12.821 ( 4.536 -0.988 0.917) 4.732 12.929 ( 7.114 -3.784 -1.898) 8.278 13.405 ( 0.329 6.691 14.900) 16.337 14.074 ( 0.693 -1.818 -3.229) 3.770 14.324 ( -0.902 -6.154 6.527) 9.016 14.674 ( 1.635 -7.222 -3.249) 8.086 15.251 ( -8.638 11.265 2.365) 14.391 15.449 ( -0.297 7.573 -1.604) 7.746 18.839 ( -0.085 -1.796 1.725) 2.492 18.971 ( 3.310 -2.734 -2.804) 5.128 19.182 ( -1.309 4.283 -3.074) 5.432 19.272 ( 0.340 2.520 -5.581) 6.133 21.492 ( -0.535 -0.569 4.907) 4.969 21.664 ( -1.244 -0.025 1.646) 2.063 21.688 ( -0.049 0.234 -0.696) 0.736 21.804 ( 2.104 -0.449 -2.925) 3.632 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 13.933 -5.090 17.840) 23.201 2.276 ( 7.357 2.926 8.392) 11.538 2.645 ( -2.561 -1.223 -6.481) 7.075 2.862 ( 4.165 -8.985 -5.160) 11.166 3.296 ( -4.708 1.559 -7.798) 9.241 3.412 ( 15.344 -7.657 -9.016) 19.374 3.654 ( 10.708 17.189 8.360) 21.909 3.880 ( 4.850 2.815 6.927) 8.913 4.105 ( 1.289 2.648 -2.903) 4.136 4.330 ( 3.121 5.547 -1.058) 6.452 4.471 ( 2.371 9.082 -7.598) 12.076 4.776 ( -7.505 0.161 -2.699) 7.977 5.011 ( -11.112 6.899 3.608) 13.567 5.175 ( -12.159 4.318 -1.237) 12.962 5.423 ( -12.609 6.672 -11.420) 18.274 5.471 ( -7.243 1.949 -15.303) 17.042 5.857 ( -15.630 12.194 -11.002) 22.672 6.729 ( -2.526 -1.524 -24.316) 24.494 7.247 ( -11.384 -3.961 12.026) 17.027 7.686 ( 0.629 -7.830 5.378) 9.520 7.700 ( -5.516 -4.814 1.933) 7.572 7.835 ( -2.484 -9.431 2.224) 10.003 8.033 ( 1.622 -7.801 3.494) 8.700 8.120 ( 1.437 -9.026 2.684) 9.525 8.309 ( 3.653 -3.739 1.276) 5.381 8.455 ( 5.624 0.599 -0.169) 5.658 8.623 ( -0.105 7.781 2.040) 8.044 8.701 ( -1.450 4.107 1.882) 4.745 9.449 ( 5.334 -6.214 10.838) 13.584 9.695 ( 4.415 0.600 9.278) 10.292 10.011 ( 8.278 -6.340 -4.969) 11.551 10.173 ( 6.900 0.332 -4.323) 8.149 12.941 ( 7.069 -0.952 2.751) 7.645 13.111 ( 9.682 -5.750 0.507) 11.272 13.432 ( 3.036 7.791 10.095) 13.108 14.068 ( -1.807 -2.329 -5.111) 5.900 14.327 ( 1.611 -5.664 9.218) 10.938 14.693 ( -0.367 -7.814 0.716) 7.856 15.078 ( -7.490 12.205 3.580) 14.761 15.410 ( -3.294 8.282 -2.285) 9.201 18.852 ( 1.250 -1.652 1.456) 2.532 19.030 ( 2.179 -3.481 -4.039) 5.760 19.151 ( -1.583 3.353 -3.400) 5.030 19.278 ( 0.187 3.299 -6.416) 7.216 21.480 ( -0.517 -2.101 5.617) 6.019 21.629 ( -1.395 2.041 4.347) 5.001 21.713 ( 1.700 -0.656 -1.516) 2.370 21.838 ( 1.151 -0.107 -3.660) 3.838 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.938 1.849 1.808) 2.751 2.396 ( 6.676 1.138 10.071) 12.137 2.579 ( -2.971 -0.844 4.814) 5.719 2.931 ( 0.822 -6.466 -4.048) 7.673 3.243 ( 0.823 -5.578 5.504) 7.880 3.599 ( 0.705 -6.247 0.114) 6.288 3.756 ( 2.025 10.717 14.409) 18.071 4.023 ( 8.702 -1.429 -1.939) 9.029 4.256 ( 9.830 2.803 -8.651) 13.391 4.409 ( 2.610 2.137 -5.655) 6.585 4.552 ( 3.067 4.141 -8.923) 10.304 4.698 ( -5.481 11.047 -1.571) 12.432 4.832 ( 0.917 9.311 -4.859) 10.543 4.972 ( -9.115 9.380 -8.776) 15.751 5.225 ( 3.664 7.450 4.739) 9.559 5.387 ( -5.289 4.835 -15.990) 17.522 5.586 ( -9.843 4.350 -18.524) 21.423 6.668 ( -4.419 -3.234 -19.235) 19.999 6.878 ( -21.778 0.201 7.205) 22.940 7.414 ( -19.341 -4.456 -4.649) 20.385 7.737 ( 3.618 -2.795 5.573) 7.208 7.871 ( 3.060 -9.975 3.185) 10.909 8.012 ( -2.649 -6.800 2.462) 7.702 8.142 ( -0.053 -6.928 0.887) 6.985 8.397 ( 5.146 -2.773 3.164) 6.647 8.572 ( 3.857 2.029 1.440) 4.590 8.633 ( 1.890 3.913 1.860) 4.727 8.723 ( 2.628 0.611 2.629) 3.767 9.548 ( 4.095 -7.488 12.758) 15.350 9.791 ( 4.552 3.212 12.035) 13.262 10.132 ( 4.084 -8.045 -5.111) 10.369 10.294 ( 4.758 -0.075 -3.737) 6.051 13.086 ( 6.863 -0.978 5.853) 9.073 13.252 ( 3.639 -4.336 9.938) 11.437 13.559 ( 9.356 4.762 -2.096) 10.705 14.004 ( -4.222 -3.944 -5.189) 7.765 14.382 ( 3.497 -2.927 9.997) 10.988 14.643 ( -4.328 -3.149 7.800) 9.460 14.979 ( -2.328 6.759 0.272) 7.154 15.331 ( -4.208 9.150 -2.867) 10.471 18.883 ( 1.644 -1.675 0.550) 2.410 19.050 ( -0.155 -0.862 -2.086) 2.262 19.128 ( -0.571 -0.035 -5.638) 5.667 19.279 ( -0.091 3.629 -7.164) 8.032 21.473 ( -0.180 -3.120 6.374) 7.099 21.611 ( -0.484 2.621 5.511) 6.122 21.747 ( 1.595 -1.037 -2.052) 2.798 21.851 ( 0.297 0.699 -3.210) 3.299 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.159 3.641 5.892) 6.928 2.416 ( -3.407 6.179 5.165) 8.744 2.643 ( 8.950 2.055 0.570) 9.201 2.842 ( -8.874 0.557 -3.542) 9.571 3.306 ( 3.940 -10.127 18.355) 21.330 3.562 ( -3.674 -6.936 11.347) 13.797 3.843 ( 8.884 4.087 7.858) 12.545 4.107 ( -5.079 6.261 8.817) 11.947 4.317 ( 2.321 1.091 -9.675) 10.009 4.440 ( 1.589 2.110 -13.096) 13.359 4.542 ( -7.698 6.001 -11.771) 15.292 4.597 ( -4.853 6.728 -14.231) 16.472 4.799 ( 12.001 1.927 -10.190) 15.861 5.084 ( -9.326 6.186 -10.467) 15.323 5.225 ( 9.960 10.053 -13.651) 19.663 5.429 ( -5.564 0.059 -21.197) 21.915 5.656 ( 26.507 5.919 11.339) 29.432 6.266 ( -29.665 0.695 11.254) 31.736 6.754 ( 5.614 0.159 -17.766) 18.632 7.023 ( -17.197 -0.244 -10.527) 20.165 7.821 ( 4.297 -2.965 4.636) 6.982 7.897 ( -1.401 -5.988 4.880) 7.851 7.959 ( -1.501 -7.083 -0.302) 7.246 8.131 ( -0.508 -5.652 -1.739) 5.935 8.499 ( 4.562 -1.906 5.209) 7.181 8.570 ( -2.270 1.119 5.142) 5.731 8.710 ( 3.334 0.261 1.133) 3.530 8.758 ( 0.421 -0.715 1.575) 1.780 9.605 ( 1.514 -7.941 13.381) 15.633 9.858 ( 1.830 4.266 13.402) 14.183 10.184 ( 1.266 -8.988 -5.070) 10.397 10.357 ( 1.555 -0.045 -3.019) 3.396 13.197 ( 3.558 -1.646 9.496) 10.273 13.281 ( -0.009 -0.690 12.344) 12.363 13.747 ( 7.824 -1.618 -7.357) 10.861 13.909 ( -4.869 -2.869 -5.812) 8.107 14.456 ( 3.780 -0.326 10.257) 10.936 14.546 ( -4.722 1.246 12.087) 13.036 14.963 ( 0.019 0.633 -1.337) 1.479 15.261 ( -2.192 10.109 -3.487) 10.916 18.911 ( 0.883 -2.090 -0.464) 2.316 19.037 ( -0.666 2.604 0.176) 2.694 19.124 ( 0.026 -3.259 -7.451) 8.132 19.276 ( -0.102 3.622 -7.543) 8.368 21.472 ( -0.004 -3.524 6.794) 7.654 21.606 ( -0.085 2.713 6.064) 6.644 21.772 ( 0.712 -1.627 -2.811) 3.325 21.853 ( -0.051 1.604 -2.313) 2.815 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 16.424 8.618) 18.548 2.025 ( 0.000 -0.712 14.548) 14.565 2.560 ( 0.000 -9.036 -6.774) 11.293 2.745 ( 0.000 -0.640 -9.151) 9.173 3.026 ( 0.000 2.480 -16.482) 16.667 3.514 ( 0.000 -1.640 -15.470) 15.557 3.817 ( 0.000 7.288 8.462) 11.167 3.853 ( 0.000 22.268 2.177) 22.374 4.258 ( 0.000 -13.009 10.378) 16.641 4.299 ( 0.000 20.482 -15.595) 25.743 4.677 ( 0.000 -1.046 0.703) 1.260 4.854 ( 0.000 -3.695 -1.984) 4.194 5.331 ( 0.000 6.431 5.299) 8.333 5.331 ( 0.000 1.825 -24.917) 24.984 5.908 ( 0.000 14.843 5.435) 15.807 6.129 ( 0.000 15.965 -2.433) 16.150 6.458 ( 0.000 -11.304 -12.291) 16.699 6.681 ( 0.000 5.153 -1.583) 5.391 7.139 ( 0.000 -6.980 5.122) 8.658 7.471 ( 0.000 -16.853 2.420) 17.026 7.620 ( 0.000 -2.346 4.544) 5.114 7.783 ( 0.000 -4.896 3.934) 6.280 7.849 ( 0.000 -6.414 0.777) 6.461 7.915 ( 0.000 -4.518 -4.117) 6.113 8.146 ( 0.000 -7.487 3.782) 8.388 8.186 ( 0.000 -7.985 2.881) 8.488 8.851 ( 0.000 0.512 4.361) 4.391 8.858 ( 0.000 4.796 -0.238) 4.802 9.283 ( 0.000 -2.171 4.027) 4.575 9.373 ( 0.000 -3.758 2.775) 4.672 9.811 ( 0.000 1.934 1.961) 2.754 9.948 ( 0.000 -2.336 -2.479) 3.406 12.755 ( 0.000 -0.641 -0.408) 0.759 12.796 ( 0.000 -2.481 -0.955) 2.658 13.550 ( 0.000 7.917 13.898) 15.995 13.977 ( 0.000 -6.088 5.472) 8.186 14.282 ( 0.000 0.197 1.875) 1.886 14.516 ( 0.000 -6.695 -3.048) 7.356 15.565 ( 0.000 6.367 -1.309) 6.500 15.566 ( 0.000 7.903 -3.889) 8.808 18.817 ( 0.000 -0.759 1.028) 1.278 18.885 ( 0.000 -2.221 -1.040) 2.453 19.286 ( 0.000 3.814 -4.375) 5.804 19.311 ( 0.000 2.131 -4.793) 5.245 21.511 ( 0.000 1.155 3.869) 4.038 21.632 ( 0.000 -1.832 -0.099) 1.835 21.727 ( 0.000 0.556 -0.416) 0.695 21.757 ( 0.000 -0.817 -0.730) 1.096 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.268 5.828 17.880) 19.087 2.166 ( 10.367 4.971 4.402) 12.311 2.580 ( 1.713 -8.456 -3.813) 9.433 2.725 ( -2.056 -3.118 -10.117) 10.785 3.080 ( 5.743 1.560 -12.477) 13.824 3.480 ( -3.625 0.516 -16.387) 16.791 3.779 ( -1.629 5.491 14.112) 15.230 3.918 ( 1.408 11.081 2.282) 11.401 4.110 ( -1.193 0.134 -4.047) 4.221 4.462 ( 1.792 6.183 -3.559) 7.356 4.602 ( 0.886 4.769 -8.604) 9.877 4.924 ( 4.307 4.937 1.744) 6.779 5.194 ( -6.905 9.534 -2.381) 12.010 5.433 ( 3.396 0.560 -17.266) 17.606 5.743 ( -14.834 13.343 7.264) 21.233 6.015 ( -10.686 17.130 -5.278) 20.868 6.422 ( -10.714 8.326 -7.529) 15.517 6.624 ( 0.832 -10.653 -11.136) 15.434 7.119 ( -1.376 -12.223 9.529) 15.559 7.466 ( -0.644 -14.769 2.940) 15.073 7.640 ( -0.620 -6.493 3.866) 7.582 7.745 ( -1.545 -2.692 3.457) 4.646 7.858 ( -3.673 -6.650 -0.144) 7.598 7.913 ( 2.765 -8.502 -0.273) 8.945 8.164 ( 3.247 -4.094 3.369) 6.217 8.268 ( 6.784 -5.381 0.729) 8.689 8.808 ( -2.821 3.469 2.475) 5.110 8.849 ( -1.646 4.735 0.769) 5.072 9.276 ( 1.293 -3.002 7.055) 7.775 9.479 ( 7.506 -6.008 2.258) 9.876 9.837 ( 3.208 0.891 1.838) 3.803 10.021 ( 6.105 -1.891 -2.661) 6.923 12.802 ( 4.530 -0.720 0.273) 4.595 12.860 ( 6.088 -2.767 -0.774) 6.732 13.555 ( 0.671 7.845 12.713) 14.954 13.992 ( 0.987 -5.944 4.444) 7.487 14.261 ( -1.423 -0.252 2.942) 3.278 14.532 ( 1.256 -6.439 -1.891) 6.828 15.450 ( -7.201 7.976 -0.618) 10.764 15.607 ( 0.128 7.169 -3.552) 8.002 18.814 ( 0.168 -0.521 1.239) 1.354 18.914 ( 2.260 -2.828 -2.063) 4.167 19.260 ( -1.945 3.179 -3.777) 5.306 19.328 ( 0.984 2.726 -5.572) 6.281 21.484 ( -2.160 -0.125 4.393) 4.897 21.649 ( 1.030 -1.152 0.971) 1.826 21.706 ( -0.783 1.193 -0.128) 1.433 21.790 ( 2.154 -0.891 -1.912) 3.015 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 11.933 -1.010 18.481) 22.022 2.361 ( 7.142 5.159 -2.601) 9.186 2.621 ( 2.868 -9.096 -0.443) 9.548 2.674 ( -2.072 -1.809 1.567) 3.166 3.218 ( 3.201 -4.924 -9.708) 11.346 3.408 ( -0.061 3.105 -10.560) 11.007 3.722 ( -1.077 -9.087 16.490) 18.859 3.960 ( 3.671 3.006 -3.413) 5.845 4.207 ( 6.498 6.399 -12.120) 15.168 4.428 ( 2.088 1.957 -4.948) 5.716 4.703 ( 0.222 14.985 -7.569) 16.789 4.971 ( 1.474 17.800 -0.681) 17.874 5.126 ( 1.511 7.980 1.755) 8.309 5.387 ( -16.037 10.935 3.043) 19.647 5.469 ( -1.370 5.756 -16.307) 17.347 5.720 ( -17.338 17.074 -7.638) 25.505 6.094 ( -18.447 11.516 -6.245) 22.625 6.650 ( -0.944 -7.483 -19.148) 20.580 7.070 ( -5.606 -15.474 13.163) 21.074 7.439 ( -2.836 -14.932 4.042) 15.727 7.559 ( -3.984 -9.787 1.813) 10.721 7.724 ( -1.396 -2.570 1.428) 3.255 7.808 ( -1.156 -7.863 3.722) 8.776 7.961 ( 2.091 -8.629 0.006) 8.879 8.257 ( 5.140 -1.665 3.447) 6.409 8.428 ( 8.224 -3.250 -0.420) 8.853 8.767 ( -0.873 5.441 1.858) 5.815 8.798 ( -2.958 5.728 0.826) 6.499 9.333 ( 3.770 -4.737 9.664) 11.404 9.635 ( 7.882 -6.334 4.470) 11.056 9.922 ( 4.265 -2.014 1.057) 4.834 10.155 ( 6.601 -1.782 -2.398) 7.246 12.925 ( 7.216 -0.580 2.163) 7.555 13.015 ( 8.487 -3.732 1.162) 9.344 13.585 ( 2.538 7.354 8.328) 11.397 13.983 ( -2.440 -5.509 0.641) 6.059 14.265 ( 2.543 -0.857 6.934) 7.435 14.555 ( 0.908 -5.642 1.449) 5.895 15.292 ( -8.126 8.647 0.978) 11.907 15.577 ( -2.800 7.514 -3.884) 8.910 18.831 ( 1.390 -0.235 0.768) 1.605 18.959 ( 2.077 -3.538 -3.327) 5.282 19.214 ( -2.504 2.775 -3.166) 4.898 19.342 ( 0.379 2.825 -6.476) 7.075 21.443 ( -1.717 -1.528 5.656) 6.105 21.656 ( -0.150 0.270 3.708) 3.721 21.711 ( 0.983 0.805 -1.815) 2.215 21.831 ( 1.782 -0.590 -2.564) 3.178 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 12.983 -0.177 9.366) 16.009 2.423 ( 2.069 5.280 -2.391) 6.155 2.626 ( -0.648 2.496 10.685) 10.991 2.766 ( 8.295 -7.789 4.930) 12.401 3.150 ( -4.941 -4.060 2.933) 7.036 3.431 ( -1.258 -9.030 -0.911) 9.162 3.840 ( 7.372 -2.134 4.145) 8.722 4.037 ( 5.831 0.480 -4.414) 7.329 4.335 ( 6.558 4.150 -12.573) 14.775 4.520 ( 0.300 6.763 0.071) 6.770 4.595 ( -1.105 6.362 -15.942) 17.200 4.913 ( -13.623 8.275 0.917) 15.965 5.082 ( -4.366 10.982 -12.863) 17.468 5.260 ( -3.980 12.176 -5.574) 13.970 5.399 ( 2.456 14.273 -4.529) 15.174 5.566 ( 5.685 14.907 -8.914) 18.276 5.722 ( -17.945 9.479 -7.529) 21.646 6.578 ( -6.604 -5.285 -10.223) 13.268 6.860 ( -12.346 -3.628 3.911) 13.450 7.285 ( -11.981 -9.152 -3.348) 15.444 7.577 ( 4.410 -12.111 6.098) 14.259 7.734 ( 2.146 -5.012 3.477) 6.467 7.789 ( -0.690 -10.872 3.489) 11.439 7.975 ( -1.089 -9.092 0.185) 9.159 8.361 ( 5.172 -1.129 3.567) 6.383 8.571 ( 5.419 -2.518 0.717) 6.018 8.730 ( -2.631 4.876 0.920) 5.616 8.784 ( 1.213 5.764 1.723) 6.137 9.407 ( 3.178 -6.004 10.836) 12.790 9.788 ( 7.062 -5.011 6.339) 10.731 9.983 ( 1.590 -4.587 0.878) 4.933 10.269 ( 4.495 -2.064 -1.468) 5.160 13.071 ( 6.742 -0.344 5.279) 8.570 13.168 ( 6.161 -3.794 6.320) 9.607 13.655 ( 3.907 4.602 -0.204) 6.041 13.909 ( -4.063 -4.980 -2.683) 6.965 14.350 ( 5.105 -0.789 9.732) 11.018 14.569 ( 0.546 -3.006 7.633) 8.221 15.137 ( -6.942 7.455 0.287) 10.191 15.507 ( -3.836 7.656 -4.352) 9.606 18.862 ( 1.452 -0.268 -0.341) 1.516 18.999 ( 2.038 -3.260 -4.007) 5.553 19.161 ( -2.802 2.176 -2.610) 4.404 19.343 ( -0.207 2.675 -7.013) 7.509 21.418 ( -0.732 -2.257 6.712) 7.120 21.653 ( -0.136 1.349 5.189) 5.364 21.731 ( 0.884 -0.350 -2.796) 2.954 21.861 ( 1.213 0.188 -2.348) 2.650 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 1.672 7.366 3.738) 8.428 2.533 ( 0.054 5.070 2.311) 5.572 2.724 ( 10.022 5.726 6.985) 13.491 2.854 ( -0.775 0.886 3.108) 3.323 3.118 ( 0.894 -8.146 17.647) 19.457 3.399 ( -1.120 -9.467 7.592) 12.187 3.800 ( -4.568 -5.746 2.342) 7.705 4.256 ( 8.963 3.626 -3.452) 10.267 4.322 ( -6.373 3.324 0.058) 7.188 4.541 ( 5.410 6.854 -16.477) 18.647 4.668 ( 2.216 4.525 -21.543) 22.124 4.794 ( -10.197 11.136 -4.076) 15.640 4.854 ( 6.939 4.180 -8.982) 12.096 5.177 ( -14.305 2.257 -9.831) 17.504 5.449 ( 1.298 3.833 -20.283) 20.683 5.471 ( -2.187 10.522 -17.187) 20.271 5.867 ( 19.538 16.009 11.879) 27.913 6.308 ( -19.016 4.454 11.421) 22.625 6.749 ( 1.258 -1.467 -11.148) 11.314 7.037 ( -10.127 1.748 -8.940) 13.621 7.667 ( 3.797 -11.324 6.687) 13.688 7.736 ( -1.868 -10.734 6.278) 12.575 7.823 ( 3.219 -7.261 0.597) 7.965 7.928 ( -2.886 -11.804 0.025) 12.151 8.453 ( 3.351 -2.408 3.757) 5.581 8.612 ( -0.932 2.754 5.013) 5.795 8.714 ( 0.906 -1.026 -1.203) 1.822 8.805 ( 0.524 6.230 0.904) 6.317 9.452 ( 1.183 -6.765 11.304) 13.227 9.907 ( 4.425 -1.840 8.882) 10.092 9.984 ( -1.371 -8.107 -0.708) 8.252 10.330 ( 1.548 -2.236 -0.710) 2.811 13.169 ( 2.544 -1.000 8.721) 9.140 13.257 ( 2.614 -1.441 10.831) 11.235 13.705 ( 0.600 -2.261 -7.073) 7.450 13.857 ( -0.771 -2.173 -6.261) 6.672 14.440 ( 3.031 -1.179 10.270) 10.773 14.576 ( 0.040 1.967 15.682) 15.804 15.031 ( -3.077 4.677 -2.573) 6.161 15.443 ( -1.940 7.663 -4.990) 9.348 18.883 ( 0.550 -0.687 -1.292) 1.563 19.043 ( 2.254 -2.319 -5.099) 6.038 19.105 ( -2.568 1.592 -1.357) 3.312 19.338 ( -0.193 2.513 -7.205) 7.634 21.410 ( -0.154 -2.532 7.248) 7.679 21.651 ( -0.026 1.759 6.018) 6.270 21.743 ( 0.318 -1.139 -3.433) 3.631 21.878 ( 0.444 0.857 -1.946) 2.173 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 5.112 7.162) 8.799 2.160 ( 0.000 1.446 -3.303) 3.606 2.448 ( 0.000 3.887 4.887) 6.244 2.636 ( 0.000 -9.542 -4.936) 10.743 3.151 ( 0.000 9.883 -12.502) 15.937 3.382 ( 0.000 -11.238 -12.516) 16.821 3.993 ( 0.000 9.305 0.371) 9.312 4.114 ( 0.000 0.102 -1.194) 1.199 4.180 ( 0.000 6.566 0.114) 6.567 4.414 ( 0.000 -13.867 -5.150) 14.793 4.715 ( 0.000 14.354 -10.620) 17.856 4.872 ( 0.000 0.954 0.853) 1.279 5.419 ( 0.000 11.419 -17.261) 20.697 5.604 ( 0.000 8.274 4.306) 9.327 6.067 ( 0.000 -0.751 10.782) 10.808 6.083 ( 0.000 -15.399 0.739) 15.417 6.510 ( 0.000 21.403 -6.041) 22.239 6.815 ( 0.000 0.893 1.436) 1.691 6.963 ( 0.000 -7.317 -5.028) 8.878 7.117 ( 0.000 -15.849 2.213) 16.003 7.618 ( 0.000 1.808 3.366) 3.821 7.684 ( 0.000 -4.645 2.926) 5.490 7.770 ( 0.000 -0.406 1.196) 1.263 7.822 ( 0.000 -4.463 -1.601) 4.741 8.047 ( 0.000 -1.880 1.947) 2.706 8.070 ( 0.000 -3.794 1.452) 4.063 8.855 ( 0.000 0.798 4.442) 4.513 8.883 ( 0.000 -1.269 1.741) 2.154 9.295 ( 0.000 2.246 2.604) 3.439 9.332 ( 0.000 -1.334 1.896) 2.319 9.842 ( 0.000 1.703 1.044) 1.998 9.890 ( 0.000 -3.045 -0.542) 3.093 12.750 ( 0.000 0.097 -0.876) 0.882 12.761 ( 0.000 -1.072 -0.901) 1.400 13.705 ( 0.000 7.502 12.138) 14.269 13.847 ( 0.000 -6.858 9.859) 12.010 14.319 ( 0.000 3.106 -0.459) 3.140 14.399 ( 0.000 -4.976 -1.784) 5.286 15.659 ( 0.000 2.835 -2.677) 3.899 15.667 ( 0.000 2.234 -3.850) 4.451 18.818 ( 0.000 0.759 0.274) 0.807 18.844 ( 0.000 -1.775 -0.510) 1.847 19.338 ( 0.000 1.391 -4.696) 4.897 19.342 ( 0.000 0.821 -4.669) 4.740 21.544 ( 0.000 2.124 2.898) 3.594 21.590 ( 0.000 -2.348 1.519) 2.796 21.735 ( 0.000 0.330 -0.700) 0.774 21.743 ( 0.000 -0.504 -0.792) 0.938 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.477 7.020 11.520) 13.499 2.230 ( 4.728 -4.147 -2.926) 6.936 2.479 ( 3.263 3.902 3.029) 5.920 2.627 ( -0.529 -6.975 -10.734) 12.812 3.174 ( 2.314 7.762 -3.580) 8.855 3.396 ( 0.822 -9.848 -8.292) 12.900 3.816 ( -13.195 5.147 7.265) 15.918 4.017 ( -10.449 -1.539 -4.353) 11.424 4.199 ( 4.369 4.938 -9.091) 11.230 4.351 ( -0.344 -8.757 -12.182) 15.007 4.875 ( 10.801 13.737 -7.691) 19.093 5.059 ( 12.789 3.790 1.347) 13.406 5.436 ( 0.119 11.539 -13.596) 17.833 5.548 ( -4.784 8.541 1.528) 9.908 5.926 ( -9.968 5.358 9.500) 14.776 6.177 ( 5.050 -18.343 -0.283) 19.027 6.424 ( -8.003 19.202 -5.894) 21.622 6.660 ( -14.164 5.730 -1.552) 15.358 6.857 ( -7.410 -12.801 -0.400) 14.796 7.099 ( -2.278 -17.186 1.990) 17.450 7.612 ( -2.720 1.871 2.048) 3.885 7.689 ( -2.252 -5.028 -0.357) 5.521 7.732 ( 0.349 -2.712 4.860) 5.576 7.822 ( 0.594 -1.071 -0.910) 1.525 8.108 ( 6.130 -1.406 3.519) 7.207 8.176 ( 7.967 -3.342 -0.205) 8.642 8.839 ( -0.617 0.799 3.832) 3.963 8.903 ( 0.430 0.444 0.523) 0.810 9.257 ( -0.700 0.433 5.869) 5.926 9.402 ( 4.586 -1.850 1.189) 5.086 9.850 ( 2.020 0.392 2.101) 2.941 9.980 ( 6.734 -1.591 -1.147) 7.014 12.793 ( 4.494 -0.200 -0.036) 4.498 12.824 ( 5.684 -0.884 -0.797) 5.807 13.700 ( -0.073 6.178 10.830) 12.469 13.871 ( 1.726 -5.557 9.057) 10.765 14.277 ( -2.557 1.089 0.264) 2.792 14.434 ( 2.301 -2.979 -0.508) 3.798 15.557 ( -6.528 2.750 -1.510) 7.243 15.707 ( 0.423 2.628 -4.326) 5.080 18.819 ( 0.609 0.872 0.263) 1.096 18.864 ( 1.442 -2.002 -1.134) 2.715 19.303 ( -2.132 1.120 -3.890) 4.575 19.367 ( 1.070 1.068 -5.583) 5.784 21.486 ( -3.652 0.174 4.004) 5.422 21.628 ( 1.768 -0.684 1.562) 2.456 21.727 ( 0.019 0.741 -0.959) 1.213 21.773 ( 2.042 -0.655 -1.037) 2.382 ======================= Grid point 218 (78/100) ======================= q-point: ( 0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 8.685 5.746 14.518) 17.867 2.338 ( 6.712 -9.237 4.573) 12.300 2.531 ( 1.415 3.895 -10.460) 11.251 2.657 ( 3.284 -2.102 -4.487) 5.944 3.203 ( -1.101 4.188 5.533) 7.026 3.365 ( -5.360 -9.140 8.530) 13.603 3.663 ( 2.332 6.813 -3.204) 7.882 3.872 ( -1.578 -10.097 -7.020) 12.399 4.297 ( 5.906 4.807 -17.285) 18.888 4.435 ( 6.719 -2.368 -15.281) 16.860 5.004 ( -0.951 11.776 -2.205) 12.018 5.248 ( 1.001 2.136 2.803) 3.664 5.309 ( -7.696 11.550 -5.218) 14.827 5.442 ( -8.928 -0.708 -12.077) 15.036 5.799 ( 1.605 22.467 3.190) 22.749 6.078 ( -15.800 12.516 -7.675) 21.568 6.276 ( -13.307 2.506 -3.925) 14.098 6.440 ( 1.421 -7.586 -1.234) 7.816 6.710 ( -6.443 -15.870 5.820) 18.090 7.062 ( -0.669 -17.147 1.421) 17.218 7.502 ( -6.295 1.939 1.509) 6.757 7.630 ( -2.643 -6.129 1.051) 6.757 7.744 ( -0.995 -0.661 4.662) 4.812 7.852 ( 1.458 -1.639 -1.658) 2.750 8.239 ( 6.161 -0.146 4.240) 7.481 8.350 ( 8.715 -3.421 -0.038) 9.362 8.842 ( 0.750 2.451 2.556) 3.619 8.881 ( -2.183 1.565 0.485) 2.729 9.284 ( 2.832 -0.333 7.567) 8.087 9.510 ( 6.158 -4.468 1.529) 7.760 9.907 ( 3.002 -0.113 4.033) 5.029 10.120 ( 6.585 -1.260 -0.889) 6.764 12.920 ( 7.670 0.021 1.788) 7.875 12.964 ( 7.584 -1.358 0.964) 7.765 13.713 ( 1.427 4.990 6.625) 8.415 13.878 ( -1.753 -4.445 4.568) 6.611 14.262 ( 1.775 0.111 4.726) 5.049 14.479 ( 2.297 -1.926 2.846) 4.133 15.409 ( -8.055 2.994 -0.119) 8.594 15.683 ( -2.620 2.801 -4.702) 6.068 18.845 ( 1.723 1.632 -0.481) 2.421 18.894 ( 1.627 -2.911 -2.040) 3.910 19.254 ( -2.756 1.052 -3.142) 4.310 19.381 ( 0.282 1.021 -6.358) 6.445 21.422 ( -2.484 -0.504 5.672) 6.213 21.651 ( 0.766 -0.303 2.396) 2.534 21.732 ( 0.275 0.846 -1.582) 1.815 21.818 ( 2.287 -0.509 -1.348) 2.703 ======================= Grid point 219 (79/100) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 15.089 3.345 12.624) 19.956 2.502 ( 7.953 -2.413 5.142) 9.773 2.592 ( 6.271 0.969 -3.166) 7.092 2.717 ( 4.044 -0.533 0.961) 4.191 3.118 ( -6.253 1.914 10.589) 12.445 3.252 ( -4.001 -8.232 7.105) 11.586 3.824 ( 5.541 1.210 -2.987) 6.410 3.964 ( 11.124 -5.086 -7.911) 14.567 4.432 ( 6.813 4.180 -17.855) 19.563 4.568 ( 5.990 -0.118 -12.094) 13.497 4.819 ( -13.181 11.550 -0.084) 17.526 4.971 ( -15.788 -2.755 1.666) 16.112 5.248 ( -6.987 6.073 -16.806) 19.187 5.327 ( -4.173 -1.418 -15.976) 16.572 5.705 ( -13.037 11.168 -13.982) 22.140 5.861 ( -13.247 5.663 -6.157) 15.667 6.069 ( 5.359 27.899 5.888) 29.013 6.492 ( 0.409 -4.323 -1.333) 4.542 6.636 ( -0.905 -17.865 8.856) 19.960 7.065 ( 0.209 -10.188 -1.178) 10.258 7.418 ( -1.204 -1.162 3.461) 3.845 7.594 ( -0.610 -7.864 1.618) 8.052 7.686 ( -4.525 -0.596 4.974) 6.751 7.847 ( -2.221 -3.164 -0.613) 3.914 8.349 ( 4.794 -0.147 3.478) 5.925 8.511 ( 7.156 -2.359 0.587) 7.558 8.810 ( -3.464 2.870 1.855) 4.866 8.882 ( 1.643 2.403 1.652) 3.347 9.343 ( 2.644 -0.157 7.502) 7.956 9.636 ( 5.911 -6.798 -0.196) 9.011 9.953 ( 1.400 -0.114 7.587) 7.716 10.231 ( 4.331 -1.268 0.157) 4.515 13.076 ( 6.742 0.893 4.809) 8.329 13.107 ( 6.778 -2.269 4.991) 8.718 13.739 ( -0.616 3.862 -0.626) 3.961 13.818 ( -2.144 -4.135 -1.505) 4.895 14.339 ( 4.963 -0.305 9.578) 10.792 14.536 ( 3.514 -0.608 9.127) 9.799 15.242 ( -8.186 2.798 -0.479) 8.664 15.614 ( -3.866 2.824 -5.122) 7.011 18.872 ( 0.744 1.040 -1.538) 2.000 18.940 ( 3.022 -2.296 -3.246) 4.994 19.193 ( -3.191 0.909 -2.137) 3.947 19.380 ( -0.356 0.937 -6.759) 6.833 21.388 ( -1.056 -0.795 6.865) 6.991 21.665 ( 0.600 0.117 3.919) 3.966 21.733 ( -0.172 0.286 -2.368) 2.391 21.861 ( 1.860 -0.094 -1.543) 2.419 ======================= Grid point 220 (80/100) ======================= q-point: ( 0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 2.673 5.238 3.601) 6.896 2.604 ( 2.096 1.598 0.322) 2.656 2.809 ( 9.858 1.159 9.259) 13.574 2.890 ( 10.932 1.902 7.596) 13.448 3.032 ( -1.178 1.903 14.554) 14.725 3.196 ( -1.166 -10.151 8.484) 13.281 3.699 ( -12.394 -3.213 2.858) 13.119 4.241 ( 9.713 -1.122 -13.658) 16.797 4.439 ( -6.949 3.983 6.961) 10.612 4.654 ( 4.996 3.711 -17.451) 18.528 4.712 ( 5.344 0.290 -19.324) 20.051 4.901 ( 7.904 2.214 -10.235) 13.120 4.999 ( -14.423 5.644 -9.691) 18.270 5.179 ( -11.948 -0.994 -9.885) 15.538 5.531 ( -3.557 4.771 -19.243) 20.142 5.593 ( -8.430 0.332 -17.976) 19.858 6.262 ( 9.031 21.566 7.842) 24.661 6.460 ( -3.455 8.596 10.247) 13.815 6.628 ( -0.235 -12.374 -1.105) 12.426 7.060 ( -0.395 -1.155 -3.798) 3.989 7.450 ( 3.336 -6.642 4.788) 8.841 7.573 ( -4.331 -3.126 6.677) 8.550 7.623 ( 1.551 -9.646 1.320) 9.859 7.777 ( -3.697 -4.055 1.520) 5.693 8.422 ( 2.096 -0.661 2.216) 3.121 8.635 ( 5.294 -0.437 0.561) 5.342 8.733 ( -4.187 2.418 2.890) 5.633 8.907 ( 0.707 2.455 1.610) 3.020 9.381 ( 0.974 0.067 7.470) 7.534 9.727 ( 2.643 -8.497 -3.924) 9.725 9.965 ( 0.074 0.574 12.149) 12.163 10.290 ( 1.475 -1.334 0.973) 2.214 13.158 ( 1.801 -0.229 8.174) 8.373 13.234 ( 4.410 -0.674 9.679) 10.658 13.671 ( -3.358 -0.950 -6.165) 7.084 13.826 ( 0.945 -0.846 -7.648) 7.753 14.423 ( 2.594 -0.381 11.906) 12.191 14.609 ( 2.892 1.039 16.741) 17.021 15.104 ( -4.519 2.113 -3.546) 6.120 15.549 ( -1.976 2.777 -5.757) 6.690 18.880 ( 0.138 0.162 -2.015) 2.026 19.001 ( 2.472 -1.352 -5.770) 6.421 19.133 ( -2.387 0.810 -0.019) 2.521 19.372 ( -0.262 0.873 -6.876) 6.936 21.376 ( -0.235 -0.895 7.449) 7.506 21.675 ( 0.305 0.582 5.750) 5.787 21.728 ( -0.194 -0.351 -3.550) 3.573 21.888 ( 0.721 0.190 -1.644) 1.806 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 0.000 18.871) 18.871 2.307 ( 0.000 0.000 -16.413) 16.413 2.500 ( 0.000 0.000 2.607) 2.607 2.505 ( 0.000 0.000 14.311) 14.311 3.057 ( 0.000 0.000 -0.660) 0.660 3.096 ( 0.000 0.000 -17.024) 17.024 3.172 ( 0.000 0.000 -8.062) 8.062 3.210 ( 0.000 0.000 -17.126) 17.126 4.197 ( 0.000 0.000 22.536) 22.536 4.577 ( 0.000 0.000 13.965) 13.965 4.734 ( 0.000 0.000 -27.615) 27.615 4.765 ( 0.000 0.000 -1.930) 1.930 5.446 ( 0.000 0.000 27.914) 27.914 5.609 ( 0.000 0.000 1.621) 1.621 5.661 ( 0.000 0.000 -5.544) 5.544 5.669 ( 0.000 0.000 11.921) 11.921 5.906 ( 0.000 0.000 -10.058) 10.058 6.167 ( 0.000 0.000 -33.890) 33.890 7.538 ( 0.000 0.000 8.526) 8.526 7.677 ( 0.000 0.000 -4.903) 4.903 7.900 ( 0.000 0.000 4.700) 4.700 7.980 ( 0.000 0.000 -2.553) 2.553 8.023 ( 0.000 0.000 2.584) 2.584 8.058 ( 0.000 0.000 -0.214) 0.214 8.563 ( 0.000 0.000 2.502) 2.502 8.593 ( 0.000 0.000 -0.067) 0.067 8.626 ( 0.000 0.000 6.546) 6.546 8.719 ( 0.000 0.000 -1.769) 1.769 9.481 ( 0.000 0.000 2.067) 2.067 9.536 ( 0.000 0.000 -2.629) 2.629 9.792 ( 0.000 0.000 4.324) 4.324 9.876 ( 0.000 0.000 -3.974) 3.974 12.805 ( 0.000 0.000 1.257) 1.257 12.840 ( 0.000 0.000 -2.067) 2.067 13.674 ( 0.000 0.000 14.657) 14.657 13.931 ( 0.000 0.000 -9.688) 9.688 14.509 ( 0.000 0.000 4.599) 4.599 14.615 ( 0.000 0.000 -5.368) 5.368 15.299 ( 0.000 0.000 2.939) 2.939 15.347 ( 0.000 0.000 -1.359) 1.359 18.899 ( 0.000 0.000 1.117) 1.117 18.923 ( 0.000 0.000 -1.134) 1.134 19.118 ( 0.000 0.000 0.224) 0.224 19.153 ( 0.000 0.000 -3.144) 3.144 21.588 ( 0.000 0.000 3.690) 3.690 21.649 ( 0.000 0.000 -2.110) 2.110 21.710 ( 0.000 0.000 0.609) 0.609 21.733 ( 0.000 0.000 -1.565) 1.565 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 19.287 0.000 15.766) 24.911 2.399 ( -4.472 0.000 9.071) 10.113 2.471 ( 13.699 0.000 -13.795) 19.441 2.584 ( 1.785 0.000 -1.332) 2.227 3.120 ( 4.967 0.000 -5.908) 7.718 3.125 ( 7.598 0.000 -0.994) 7.663 3.225 ( 6.146 0.000 -7.589) 9.765 3.342 ( 10.671 0.000 -17.777) 20.733 4.210 ( 1.285 0.000 21.499) 21.537 4.504 ( -6.912 0.000 13.480) 15.149 4.680 ( -7.795 0.000 -1.174) 7.883 4.731 ( -0.314 0.000 -26.605) 26.607 5.355 ( -8.833 0.000 20.630) 22.441 5.472 ( -17.762 0.000 11.639) 21.236 5.515 ( -8.204 0.000 2.027) 8.451 5.587 ( -6.515 0.000 0.897) 6.577 5.717 ( -17.112 0.000 -11.154) 20.426 6.149 ( -1.910 0.000 -33.826) 33.880 7.572 ( 1.606 0.000 8.226) 8.381 7.697 ( 1.504 0.000 -3.566) 3.870 7.945 ( 1.727 0.000 2.682) 3.190 7.986 ( 0.256 0.000 -1.191) 1.218 8.079 ( 4.987 0.000 3.798) 6.269 8.135 ( 6.646 0.000 -1.348) 6.781 8.489 ( -5.584 0.000 2.962) 6.321 8.539 ( -4.515 0.000 -1.404) 4.728 8.564 ( -4.153 0.000 6.569) 7.772 8.669 ( -3.694 0.000 -2.864) 4.674 9.558 ( 8.197 0.000 6.814) 10.659 9.698 ( 12.457 0.000 -6.416) 14.012 9.808 ( 2.000 0.000 6.421) 6.725 9.929 ( 4.420 0.000 -5.240) 6.855 12.863 ( 5.651 0.000 1.799) 5.930 12.910 ( 6.850 0.000 -2.676) 7.354 13.664 ( -0.952 0.000 14.547) 14.578 13.924 ( -0.706 0.000 -10.188) 10.213 14.526 ( 1.753 0.000 5.992) 6.243 14.654 ( 3.514 0.000 -5.975) 6.932 15.230 ( -6.076 0.000 5.524) 8.211 15.323 ( -2.727 0.000 -3.248) 4.241 18.901 ( 0.464 0.000 1.914) 1.970 18.946 ( 1.880 0.000 -2.412) 3.058 19.107 ( -1.014 0.000 0.422) 1.098 19.147 ( -0.620 0.000 -3.358) 3.415 21.595 ( 0.663 0.000 3.852) 3.909 21.659 ( 0.941 0.000 -2.230) 2.420 21.697 ( -0.905 0.000 1.926) 2.128 21.744 ( 0.699 0.000 -2.647) 2.738 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -2.262 0.000 7.135) 7.485 2.521 ( 11.907 0.000 10.685) 15.998 2.569 ( -2.642 0.000 -11.046) 11.358 2.713 ( 8.188 0.000 -8.757) 11.988 3.317 ( 13.846 0.000 7.292) 15.649 3.383 ( 16.611 0.000 -0.126) 16.611 3.473 ( 18.176 0.000 -8.143) 19.917 3.595 ( 13.889 0.000 -15.153) 20.556 4.251 ( 2.815 0.000 18.671) 18.882 4.339 ( -7.181 0.000 12.394) 14.324 4.512 ( -6.446 0.000 -1.866) 6.710 4.710 ( -2.761 0.000 -21.034) 21.215 5.050 ( -21.818 0.000 8.773) 23.516 5.113 ( -14.427 0.000 11.765) 18.616 5.308 ( -21.149 0.000 -14.654) 25.730 5.314 ( -11.642 0.000 -6.209) 13.195 5.463 ( -3.978 0.000 18.741) 19.159 6.100 ( -2.320 0.000 -33.734) 33.813 7.509 ( -10.680 0.000 9.546) 14.324 7.669 ( -7.644 0.000 -5.485) 9.408 7.887 ( -4.641 0.000 4.237) 6.284 7.965 ( -2.113 0.000 -2.963) 3.639 8.169 ( 1.924 0.000 4.842) 5.211 8.237 ( 0.159 0.000 -1.916) 1.923 8.434 ( 2.936 0.000 1.961) 3.531 8.477 ( 0.333 0.000 -1.672) 1.705 8.552 ( 3.454 0.000 6.082) 6.994 8.650 ( 2.566 0.000 -2.801) 3.799 9.756 ( 10.099 0.000 10.134) 14.307 9.869 ( 3.793 0.000 8.756) 9.542 9.949 ( 11.293 0.000 -8.301) 14.015 10.028 ( 5.023 0.000 -6.451) 8.176 13.020 ( 9.496 0.000 3.498) 10.120 13.102 ( 11.788 0.000 -4.390) 12.579 13.641 ( -1.312 0.000 14.150) 14.210 13.902 ( -1.508 0.000 -10.789) 10.894 14.575 ( 2.886 0.000 8.237) 8.728 14.737 ( 4.357 0.000 -6.800) 8.076 15.081 ( -8.251 0.000 9.266) 12.407 15.239 ( -5.356 0.000 -5.669) 7.799 18.919 ( 1.151 0.000 2.590) 2.835 18.987 ( 2.015 0.000 -4.052) 4.525 19.080 ( -1.646 0.000 0.873) 1.863 19.129 ( -1.102 0.000 -3.848) 4.003 21.613 ( 1.091 0.000 4.235) 4.374 21.681 ( -0.598 0.000 3.552) 3.602 21.684 ( 1.498 0.000 -2.530) 2.940 21.756 ( 0.451 0.000 -3.693) 3.721 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.923 0.000 5.046) 5.130 2.514 ( -1.879 0.000 -10.554) 10.720 2.602 ( -2.471 0.000 9.431) 9.750 2.784 ( -1.289 0.000 -8.404) 8.503 3.636 ( 5.948 0.000 6.326) 8.683 3.639 ( 17.464 0.000 11.204) 20.749 3.791 ( 10.783 0.000 -9.559) 14.410 3.864 ( 11.238 0.000 -8.224) 13.925 4.322 ( 4.165 0.000 12.981) 13.633 4.347 ( 7.236 0.000 9.184) 11.692 4.530 ( -14.263 0.000 -0.529) 14.273 4.535 ( 9.464 0.000 -6.323) 11.381 4.686 ( -15.036 0.000 -2.899) 15.313 4.809 ( -14.590 0.000 10.962) 18.249 4.997 ( -7.088 0.000 -24.706) 25.703 5.054 ( -13.959 0.000 -10.767) 17.629 5.501 ( 9.878 0.000 23.205) 25.220 6.097 ( 3.580 0.000 -30.733) 30.941 7.118 ( -26.308 0.000 11.011) 28.520 7.322 ( -24.405 0.000 -8.284) 25.772 7.869 ( 2.024 0.000 4.767) 5.179 7.964 ( 1.695 0.000 -4.145) 4.478 8.126 ( -4.722 0.000 3.425) 5.833 8.175 ( -4.261 0.000 -1.560) 4.538 8.535 ( 5.787 0.000 2.788) 6.423 8.586 ( 7.618 0.000 -1.682) 7.801 8.644 ( 4.084 0.000 5.705) 7.016 8.727 ( 3.683 0.000 -2.039) 4.210 9.927 ( 6.550 0.000 11.063) 12.857 9.948 ( 3.770 0.000 9.909) 10.602 10.123 ( 4.271 0.000 -6.864) 8.084 10.127 ( 6.265 0.000 -8.034) 10.188 13.224 ( 10.301 0.000 6.131) 11.988 13.358 ( 12.965 0.000 -6.615) 14.554 13.608 ( -2.188 0.000 13.212) 13.392 13.858 ( -3.120 0.000 -10.684) 11.130 14.634 ( 2.953 0.000 10.013) 10.440 14.822 ( 4.085 0.000 -7.338) 8.398 14.918 ( -7.620 0.000 11.773) 14.024 15.121 ( -6.109 0.000 -7.315) 9.530 18.945 ( 1.396 0.000 2.667) 3.010 19.023 ( 1.581 0.000 -4.940) 5.187 19.044 ( -1.856 0.000 1.390) 2.319 19.104 ( -1.317 0.000 -4.398) 4.591 21.636 ( 1.118 0.000 4.638) 4.771 21.673 ( -0.278 0.000 4.545) 4.553 21.715 ( 1.513 0.000 -2.916) 3.285 21.761 ( 0.068 0.000 -3.996) 3.996 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 4.531 0.000 5.175) 6.878 2.491 ( -6.928 0.000 8.313) 10.821 2.531 ( 4.319 0.000 -7.884) 8.989 2.673 ( -8.274 0.000 -8.485) 11.852 3.740 ( 7.171 0.000 10.525) 12.736 3.903 ( -4.639 0.000 8.550) 9.727 3.974 ( 9.327 0.000 -12.325) 15.457 4.001 ( 12.820 0.000 4.992) 13.758 4.276 ( -10.118 0.000 -0.483) 10.129 4.376 ( -9.848 0.000 16.185) 18.946 4.427 ( 5.167 0.000 2.207) 5.619 4.513 ( -5.802 0.000 7.129) 9.192 4.529 ( 4.687 0.000 -0.605) 4.725 4.759 ( -13.218 0.000 -11.645) 17.616 4.834 ( 8.684 0.000 -14.820) 17.176 4.940 ( -1.937 0.000 -24.718) 24.794 5.897 ( 27.952 0.000 17.262) 32.852 6.307 ( 18.061 0.000 -21.301) 27.927 6.520 ( -31.927 0.000 12.780) 34.390 6.784 ( -27.319 0.000 -12.284) 29.954 7.933 ( 4.041 0.000 4.026) 5.705 8.015 ( 3.210 0.000 -3.683) 4.885 8.025 ( -4.971 0.000 3.418) 6.033 8.089 ( -4.123 0.000 -2.728) 4.944 8.640 ( 4.093 0.000 4.661) 6.203 8.685 ( -0.144 0.000 5.381) 5.383 8.714 ( 4.705 0.000 -2.170) 5.182 8.765 ( -0.244 0.000 -2.046) 2.061 10.008 ( 1.880 0.000 10.521) 10.688 10.011 ( 1.841 0.000 10.939) 11.093 10.191 ( 2.241 0.000 -6.999) 7.349 10.202 ( 1.358 0.000 -7.347) 7.472 13.413 ( 8.115 0.000 8.991) 12.112 13.542 ( -4.660 0.000 11.474) 12.385 13.597 ( 10.424 0.000 -8.560) 13.488 13.766 ( -6.335 0.000 -9.909) 11.761 14.697 ( 3.507 0.000 11.508) 12.030 14.785 ( -5.445 0.000 12.402) 13.545 14.905 ( 4.395 0.000 -7.769) 8.926 15.004 ( -5.437 0.000 -7.935) 9.619 18.974 ( 1.555 0.000 2.362) 2.828 19.007 ( -1.760 0.000 1.900) 2.590 19.052 ( 1.313 0.000 -5.119) 5.284 19.078 ( -1.312 0.000 -4.867) 5.041 21.656 ( 0.777 0.000 4.904) 4.965 21.667 ( -0.367 0.000 4.925) 4.939 21.742 ( 1.083 0.000 -3.345) 3.516 21.757 ( -0.472 0.000 -3.768) 3.798 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 2.485 13.814) 14.036 2.214 ( 0.000 -6.204 -7.616) 9.823 2.540 ( 0.000 3.271 3.192) 4.570 2.584 ( 0.000 4.720 2.822) 5.499 2.868 ( 0.000 -8.628 -2.612) 9.015 3.052 ( 0.000 -1.873 -21.654) 21.735 3.421 ( 0.000 21.170 -0.964) 21.192 3.542 ( 0.000 22.944 -12.351) 26.057 4.157 ( 0.000 -2.191 22.988) 23.092 4.691 ( 0.000 -2.988 -22.274) 22.474 4.695 ( 0.000 6.982 8.232) 10.795 4.737 ( 0.000 -6.412 -0.070) 6.413 5.343 ( 0.000 -4.701 22.504) 22.990 5.432 ( 0.000 -10.263 -1.528) 10.376 5.564 ( 0.000 5.484 1.631) 5.721 5.975 ( 0.000 17.088 11.207) 20.435 6.074 ( 0.000 2.474 -24.373) 24.498 6.248 ( 0.000 12.212 -18.429) 22.108 7.499 ( 0.000 -4.636 8.886) 10.023 7.641 ( 0.000 -4.387 -4.838) 6.531 7.833 ( 0.000 -5.924 5.462) 8.058 7.923 ( 0.000 -5.211 -2.302) 5.697 7.966 ( 0.000 -5.371 0.991) 5.461 7.987 ( 0.000 -6.293 -0.297) 6.300 8.408 ( 0.000 -9.705 3.328) 10.260 8.436 ( 0.000 -10.880 0.641) 10.899 8.759 ( 0.000 7.204 3.463) 7.993 8.817 ( 0.000 5.392 -1.361) 5.561 9.431 ( 0.000 -3.940 2.885) 4.883 9.483 ( 0.000 -4.348 -1.699) 4.668 9.823 ( 0.000 2.210 3.391) 4.047 9.893 ( 0.000 1.043 -3.459) 3.613 12.786 ( 0.000 -1.635 0.975) 1.903 12.815 ( 0.000 -2.165 -1.724) 2.767 13.721 ( 0.000 4.274 13.667) 14.319 13.954 ( 0.000 1.985 -8.322) 8.555 14.446 ( 0.000 -5.234 5.156) 7.347 14.553 ( 0.000 -5.339 -5.043) 7.344 15.380 ( 0.000 6.866 1.412) 7.010 15.413 ( 0.000 5.736 -1.391) 5.902 18.874 ( 0.000 -1.967 1.273) 2.343 18.901 ( 0.000 -1.873 -1.272) 2.264 19.159 ( 0.000 3.396 -0.369) 3.416 19.183 ( 0.000 2.582 -2.698) 3.734 21.580 ( 0.000 -0.598 3.145) 3.202 21.633 ( 0.000 -1.240 -1.993) 2.347 21.720 ( 0.000 0.750 0.792) 1.091 21.743 ( 0.000 0.582 -1.256) 1.385 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 14.613 -1.580 10.353) 17.978 2.302 ( 5.507 -7.455 -0.043) 9.269 2.488 ( 0.919 3.116 1.635) 3.637 2.693 ( 6.948 6.699 -4.098) 10.485 2.900 ( 3.925 -10.738 -3.729) 12.026 3.079 ( 3.061 -2.648 -16.071) 16.573 3.492 ( 7.584 21.444 1.056) 22.771 3.649 ( 9.587 20.451 -12.803) 25.962 4.173 ( 1.698 -1.353 22.007) 22.113 4.592 ( -7.751 1.959 4.426) 9.138 4.633 ( -8.183 -5.642 0.329) 9.945 4.731 ( 0.710 0.667 -18.339) 18.365 5.203 ( -10.957 -6.178 14.198) 18.969 5.383 ( -7.774 -0.768 -5.638) 9.634 5.498 ( -5.286 2.949 13.069) 14.403 5.800 ( -14.741 15.376 9.659) 23.388 5.969 ( -12.882 12.723 -13.326) 22.482 6.180 ( -3.479 4.256 -28.236) 28.766 7.537 ( 2.101 -4.424 8.448) 9.765 7.660 ( 1.663 -4.447 -3.088) 5.664 7.863 ( 0.296 -7.427 3.293) 8.130 7.906 ( -1.839 -6.303 -0.190) 6.568 8.016 ( 4.451 -7.435 1.437) 8.784 8.050 ( 4.895 -7.663 -1.432) 9.205 8.360 ( -2.386 -7.358 3.927) 8.675 8.410 ( -1.633 -7.416 -0.730) 7.628 8.711 ( -3.579 7.793 3.014) 9.089 8.765 ( -4.176 5.948 -1.601) 7.442 9.502 ( 7.054 -4.638 6.318) 10.544 9.611 ( 9.873 -6.493 -3.489) 12.321 9.857 ( 3.647 2.795 4.070) 6.138 9.950 ( 4.938 1.290 -4.469) 6.784 12.845 ( 5.627 -1.649 1.450) 6.041 12.882 ( 6.578 -2.378 -2.150) 7.317 13.710 ( -0.945 4.244 13.371) 14.060 13.945 ( -0.907 1.828 -8.867) 9.099 14.461 ( 1.666 -5.321 6.450) 8.526 14.585 ( 2.896 -5.718 -5.201) 8.254 15.318 ( -5.284 7.317 3.801) 9.793 15.396 ( -2.232 6.281 -3.360) 7.465 18.876 ( 0.385 -1.977 1.844) 2.731 18.918 ( 1.449 -2.224 -2.227) 3.465 19.148 ( -0.958 3.340 -0.077) 3.476 19.180 ( -0.347 2.818 -3.049) 4.166 21.581 ( 0.109 -1.109 3.557) 3.728 21.643 ( 0.907 -1.223 -2.390) 2.833 21.712 ( -0.466 1.130 1.893) 2.253 21.753 ( 0.795 0.638 -2.101) 2.335 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.318 -2.695 4.007) 4.839 2.425 ( 4.888 -7.073 -2.525) 8.961 2.628 ( 9.987 5.180 7.506) 13.524 2.821 ( 4.808 6.524 -3.200) 8.713 3.071 ( 12.215 -11.819 -4.260) 17.522 3.213 ( 11.915 -10.336 -10.946) 19.199 3.714 ( 12.875 17.431 2.555) 21.821 3.870 ( 10.804 11.650 -10.084) 18.818 4.231 ( 3.836 2.387 18.918) 19.450 4.428 ( -5.905 1.486 8.137) 10.163 4.467 ( -5.621 -3.639 -1.230) 6.808 4.722 ( -3.835 2.929 -14.015) 14.823 4.969 ( -10.166 -1.868 -0.337) 10.342 5.122 ( -16.588 3.991 -9.005) 19.292 5.331 ( -13.640 9.908 14.542) 22.264 5.514 ( -10.199 9.120 12.561) 18.573 5.641 ( -15.961 14.609 -6.143) 22.492 6.125 ( -2.099 2.301 -31.523) 31.677 7.475 ( -11.173 -3.939 9.521) 15.199 7.635 ( -8.877 -4.121 -5.561) 11.257 7.805 ( -2.100 -7.264 3.718) 8.426 7.852 ( -1.375 -8.683 -0.777) 8.826 8.096 ( 1.933 -10.072 2.596) 10.579 8.137 ( 2.566 -9.578 -1.035) 9.970 8.371 ( 3.469 -2.340 3.838) 5.678 8.435 ( 4.594 -0.828 -1.937) 5.054 8.669 ( 0.017 6.657 2.242) 7.024 8.707 ( -0.391 4.704 -1.066) 4.839 9.664 ( 7.867 -7.041 9.233) 14.026 9.805 ( 8.796 -7.264 -2.111) 11.602 9.959 ( 5.794 2.269 2.972) 6.895 10.070 ( 6.624 2.079 -5.526) 8.874 13.000 ( 9.407 -1.743 2.952) 10.012 13.065 ( 11.125 -3.116 -3.195) 11.987 13.686 ( -1.411 3.993 12.236) 12.948 13.914 ( -2.274 0.873 -9.307) 9.621 14.513 ( 3.389 -4.796 8.312) 10.177 14.655 ( 3.754 -6.101 -4.650) 8.540 15.189 ( -7.227 8.406 6.569) 12.886 15.324 ( -4.758 7.103 -5.725) 10.290 18.890 ( 0.922 -2.151 2.253) 3.249 18.949 ( 1.469 -2.797 -3.418) 4.654 19.123 ( -1.501 3.302 0.536) 3.667 19.169 ( -0.689 3.221 -3.805) 5.033 21.586 ( 0.373 -1.995 4.400) 4.845 21.664 ( 1.133 -1.520 -3.079) 3.616 21.707 ( 0.067 1.836 3.217) 3.704 21.770 ( 0.828 1.014 -2.924) 3.203 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 2.704 0.396 4.403) 5.182 2.472 ( 1.770 -2.203 -7.168) 7.705 2.710 ( -1.882 8.697 8.539) 12.332 2.862 ( -2.037 6.109 -4.175) 7.675 3.351 ( 14.881 -13.556 4.421) 20.609 3.493 ( 12.865 -14.598 -8.213) 21.120 3.926 ( 8.747 9.355 3.809) 13.362 4.045 ( 4.828 3.539 -4.168) 7.294 4.289 ( 4.055 1.086 16.646) 17.167 4.401 ( -2.309 -2.100 6.801) 7.483 4.474 ( 1.095 -0.309 0.079) 1.140 4.571 ( -3.145 7.605 -6.472) 10.470 4.740 ( -13.104 7.293 -8.151) 17.068 4.906 ( -4.101 -1.957 -21.883) 22.350 5.018 ( -13.084 15.186 9.217) 22.063 5.256 ( -15.595 13.654 -10.732) 23.341 5.576 ( 9.956 7.247 21.721) 24.969 6.129 ( 3.894 3.030 -28.281) 28.708 7.094 ( -24.703 -2.345 10.424) 26.915 7.286 ( -22.934 -3.512 -7.705) 24.447 7.825 ( 2.791 -3.895 3.239) 5.784 7.878 ( 2.505 -6.971 -1.640) 7.587 8.079 ( -3.006 -6.938 3.049) 8.153 8.129 ( -2.436 -6.276 -1.725) 6.950 8.485 ( 6.857 -2.278 4.531) 8.529 8.562 ( 7.017 -0.527 -2.418) 7.441 8.689 ( 1.101 2.778 3.151) 4.343 8.738 ( 2.112 1.078 -1.086) 2.608 9.794 ( 4.974 -8.394 10.421) 14.275 9.958 ( 6.260 -6.836 -2.068) 9.498 10.060 ( 3.850 1.500 3.857) 5.652 10.195 ( 5.230 2.078 -5.933) 8.177 13.202 ( 10.167 -1.918 5.345) 11.645 13.303 ( 11.777 -4.356 -3.544) 13.047 13.651 ( -2.263 3.221 9.317) 10.114 13.850 ( -4.150 -0.939 -8.931) 9.892 14.592 ( 4.306 -2.827 9.428) 10.743 14.732 ( 3.954 -4.923 -2.212) 6.690 15.041 ( -7.206 8.327 7.236) 13.177 15.217 ( -5.570 7.668 -7.753) 12.245 18.909 ( 0.900 -2.441 2.114) 3.352 18.975 ( 1.049 -3.133 -4.059) 5.234 19.091 ( -1.549 3.282 1.278) 3.848 19.154 ( -0.747 3.521 -4.580) 5.825 21.594 ( 0.451 -2.627 5.122) 5.774 21.685 ( 0.935 -1.842 -3.236) 3.839 21.713 ( 0.339 2.164 3.625) 4.236 21.786 ( 0.697 1.601 -3.191) 3.637 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 5.895 3.775 6.155) 9.321 2.523 ( 1.543 3.074 1.377) 3.705 2.621 ( -3.497 7.972 -0.361) 8.712 2.750 ( -7.250 7.011 -6.646) 12.078 3.611 ( 10.758 -9.961 9.849) 17.663 3.734 ( 10.033 -10.796 1.945) 14.866 3.955 ( -8.298 -3.735 -0.160) 9.102 4.078 ( -0.696 0.322 -6.748) 6.792 4.289 ( -0.094 3.450 5.944) 6.873 4.412 ( -3.699 1.711 8.457) 9.388 4.447 ( 5.480 2.060 11.234) 12.668 4.543 ( -0.545 7.569 -1.446) 7.725 4.628 ( -1.231 5.616 -2.953) 6.463 4.838 ( -2.912 4.391 -13.934) 14.897 4.915 ( -0.758 7.346 -14.602) 16.363 4.975 ( -8.841 5.905 -16.840) 19.915 5.958 ( 25.735 6.254 16.711) 31.316 6.330 ( 15.532 2.469 -17.150) 23.269 6.546 ( -27.730 2.758 10.292) 29.707 6.791 ( -24.705 0.935 -11.649) 27.329 7.890 ( 3.093 -3.597 2.272) 5.260 7.925 ( 1.743 -6.405 -1.070) 6.724 8.005 ( -3.535 -3.842 3.678) 6.386 8.078 ( -1.905 -4.255 -3.169) 5.637 8.611 ( 5.140 -1.928 4.949) 7.391 8.673 ( 0.877 -0.520 2.954) 3.125 8.699 ( 2.180 -0.859 -0.727) 2.453 8.754 ( -0.911 -1.042 -1.981) 2.417 9.862 ( 1.737 -8.770 10.829) 14.043 10.049 ( 2.585 -8.366 -5.912) 10.565 10.108 ( 0.996 2.774 8.180) 8.695 10.267 ( 1.829 1.976 -5.890) 6.476 13.383 ( 6.884 -2.498 8.373) 11.124 13.496 ( 5.047 -3.658 4.552) 7.719 13.606 ( -0.362 0.157 -2.155) 2.191 13.750 ( -5.315 -1.637 -8.826) 10.432 14.673 ( 3.068 -1.015 10.216) 10.715 14.810 ( 3.572 0.151 5.215) 6.323 14.911 ( -5.272 4.293 2.282) 7.171 15.121 ( -3.192 8.052 -9.721) 13.021 18.923 ( 0.383 -2.791 1.819) 3.353 18.991 ( 0.495 -3.244 -4.629) 5.674 19.066 ( -0.798 3.404 2.196) 4.129 19.142 ( -0.339 3.664 -5.078) 6.271 21.601 ( 0.203 -2.897 5.488) 6.209 21.700 ( 0.457 -2.170 -3.731) 4.340 21.717 ( 0.081 2.342 4.197) 4.807 21.796 ( 0.289 2.039 -3.185) 3.793 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 3.402 3.182) 4.658 2.115 ( 0.000 -3.416 -3.803) 5.111 2.546 ( 0.000 -3.825 2.998) 4.860 2.614 ( 0.000 -2.486 -3.649) 4.415 2.842 ( 0.000 7.227 1.845) 7.459 3.079 ( 0.000 5.091 -18.246) 18.943 3.870 ( 0.000 19.419 0.448) 19.424 3.979 ( 0.000 14.190 -7.661) 16.126 4.200 ( 0.000 12.093 19.608) 23.037 4.465 ( 0.000 -15.312 8.447) 17.488 4.625 ( 0.000 -13.454 -5.474) 14.525 4.722 ( 0.000 5.629 -25.435) 26.050 5.280 ( 0.000 -3.609 26.648) 26.891 5.489 ( 0.000 13.396 7.767) 15.485 5.822 ( 0.000 19.133 -7.431) 20.525 6.030 ( 0.000 -4.175 -25.612) 25.950 6.279 ( 0.000 12.873 11.816) 17.473 6.522 ( 0.000 12.645 -10.716) 16.575 7.311 ( 0.000 -14.603 8.534) 16.914 7.449 ( 0.000 -15.551 -4.187) 16.105 7.723 ( 0.000 -4.151 4.820) 6.362 7.805 ( 0.000 -6.207 -2.409) 6.658 7.853 ( 0.000 -6.154 -0.173) 6.156 7.853 ( 0.000 -4.556 -0.770) 4.620 8.215 ( 0.000 -8.882 2.280) 9.170 8.230 ( 0.000 -9.013 0.891) 9.057 8.874 ( 0.000 4.032 1.387) 4.264 8.894 ( 0.000 2.261 0.071) 2.262 9.364 ( 0.000 -2.167 3.233) 3.892 9.402 ( 0.000 -3.115 -0.199) 3.121 9.854 ( 0.000 0.779 2.098) 2.238 9.898 ( 0.000 -0.616 -2.217) 2.301 12.753 ( 0.000 -1.427 0.324) 1.463 12.770 ( 0.000 -2.045 -1.180) 2.361 13.823 ( 0.000 5.488 11.271) 12.537 13.991 ( 0.000 1.234 -4.194) 4.372 14.349 ( 0.000 -3.720 4.264) 5.658 14.440 ( 0.000 -5.391 -4.157) 6.807 15.520 ( 0.000 6.278 -0.599) 6.306 15.532 ( 0.000 5.497 -1.451) 5.686 18.839 ( 0.000 -1.315 1.076) 1.699 18.862 ( 0.000 -1.804 -1.099) 2.112 19.227 ( 0.000 3.098 -1.166) 3.310 19.237 ( 0.000 2.531 -2.100) 3.289 21.574 ( 0.000 0.074 2.191) 2.192 21.611 ( 0.000 -0.848 -1.517) 1.738 21.731 ( 0.000 0.351 0.711) 0.793 21.747 ( 0.000 -0.207 -0.559) 0.596 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 8.700 0.338 1.965) 8.926 2.185 ( 5.707 -3.854 -1.213) 6.992 2.506 ( -0.114 -2.347 4.096) 4.722 2.678 ( 4.828 -7.310 -5.292) 10.235 2.891 ( 4.342 9.354 1.042) 10.365 3.110 ( 3.024 5.846 -15.663) 16.990 3.894 ( 2.002 14.159 -0.133) 14.300 3.962 ( -2.014 6.611 -5.051) 8.561 4.221 ( 1.022 2.975 22.021) 22.244 4.462 ( 1.186 -1.074 1.531) 2.215 4.506 ( -8.638 -10.918 -2.546) 14.153 4.755 ( 2.726 5.053 -25.770) 26.402 5.272 ( -2.665 7.537 20.806) 22.289 5.460 ( -2.651 8.392 7.645) 11.657 5.722 ( -8.390 17.988 -3.016) 20.076 6.018 ( -6.421 4.968 -12.647) 15.028 6.153 ( -7.926 9.295 -1.246) 12.279 6.351 ( -14.450 10.707 -11.594) 21.397 7.331 ( 1.465 -16.901 8.920) 19.166 7.466 ( 1.160 -16.504 -3.501) 16.911 7.716 ( -2.530 -5.965 3.817) 7.520 7.775 ( -3.218 -6.444 -0.942) 7.264 7.857 ( 1.080 -5.443 0.590) 5.581 7.885 ( 2.002 -7.403 -1.776) 7.872 8.236 ( 3.312 -5.179 2.942) 6.815 8.274 ( 4.493 -6.164 -0.586) 7.651 8.842 ( -2.620 5.006 1.378) 5.816 8.862 ( -2.707 3.711 -0.214) 4.598 9.411 ( 4.541 -3.877 5.321) 7.998 9.486 ( 6.979 -5.448 -1.674) 9.010 9.893 ( 3.952 0.904 3.188) 5.157 9.960 ( 5.459 -0.282 -3.111) 6.289 12.811 ( 5.576 -1.464 0.711) 5.809 12.834 ( 6.158 -2.197 -1.374) 6.681 13.809 ( -1.316 5.132 10.664) 11.908 13.978 ( -1.523 1.021 -5.080) 5.401 14.363 ( 1.839 -3.832 5.900) 7.272 14.472 ( 2.889 -5.048 -4.083) 7.106 15.463 ( -4.495 6.390 1.995) 8.063 15.527 ( -1.570 6.020 -3.784) 7.282 18.842 ( 0.340 -1.294 1.410) 1.944 18.874 ( 0.995 -2.029 -1.732) 2.847 19.214 ( -1.095 2.902 -0.502) 3.142 19.239 ( -0.065 2.747 -2.814) 3.933 21.562 ( -0.787 -0.604 3.171) 3.323 21.621 ( 0.728 -0.834 -2.461) 2.698 21.731 ( 0.169 0.682 1.622) 1.768 21.761 ( 1.110 0.051 -1.243) 1.667 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 3.433 -0.552 0.926) 3.599 2.323 ( 7.325 -2.707 -1.648) 7.981 2.636 ( 12.780 -5.136 8.356) 16.110 2.812 ( 7.896 -9.480 1.929) 12.487 3.005 ( 6.840 8.654 -4.823) 12.039 3.183 ( 3.487 6.158 -12.189) 14.094 3.901 ( -1.635 -5.410 -0.010) 5.652 3.940 ( 1.524 0.459 -3.850) 4.166 4.224 ( 0.656 -3.667 19.640) 19.990 4.371 ( -2.500 -5.264 2.787) 6.460 4.564 ( 6.816 14.822 -6.724) 17.645 4.809 ( 1.291 5.427 -24.096) 24.734 5.120 ( -11.917 15.228 9.412) 21.506 5.312 ( -15.038 10.674 -4.574) 19.001 5.604 ( -0.417 17.707 14.957) 23.182 5.715 ( -17.509 11.199 7.906) 22.237 5.934 ( -17.388 14.612 -7.541) 23.931 6.172 ( -1.067 2.294 -24.437) 24.567 7.300 ( -7.358 -15.409 8.857) 19.236 7.441 ( -6.866 -16.963 -4.267) 18.790 7.631 ( -1.343 -7.797 5.028) 9.374 7.712 ( -1.420 -5.788 -2.259) 6.373 7.880 ( 0.758 -7.411 2.740) 7.938 7.931 ( 2.059 -9.107 -2.252) 9.605 8.338 ( 5.915 -1.732 3.802) 7.242 8.402 ( 7.389 -2.883 -2.148) 8.217 8.796 ( -1.642 5.830 1.061) 6.149 8.809 ( -2.020 5.191 -0.055) 5.570 9.520 ( 5.602 -6.828 7.653) 11.686 9.639 ( 7.559 -8.572 -3.407) 11.926 9.995 ( 5.560 1.095 4.859) 7.464 10.090 ( 6.816 0.055 -3.886) 7.846 12.965 ( 9.295 -1.518 1.842) 9.596 13.003 ( 10.162 -2.802 -1.618) 10.664 13.771 ( -2.449 4.055 8.524) 9.752 13.922 ( -4.109 -0.320 -5.569) 6.928 14.433 ( 5.044 -2.818 7.736) 9.655 14.549 ( 4.823 -3.985 -2.831) 6.867 15.349 ( -6.779 6.893 4.572) 10.694 15.468 ( -4.215 6.493 -6.116) 9.866 18.854 ( 0.802 -1.294 1.500) 2.136 18.896 ( 1.110 -2.388 -2.563) 3.674 19.187 ( -1.607 2.786 0.486) 3.253 19.233 ( -0.539 2.819 -3.840) 4.795 21.550 ( -0.361 -1.430 4.595) 4.825 21.636 ( 0.714 -1.215 -3.541) 3.811 21.739 ( 0.594 1.269 2.631) 2.981 21.786 ( 1.355 0.534 -1.955) 2.438 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 6.851 3.488 3.124) 8.299 2.459 ( 7.081 1.126 -3.828) 8.127 2.871 ( 4.306 4.072 10.666) 12.202 2.944 ( 3.898 0.163 11.712) 12.344 3.143 ( 8.868 -5.201 -6.245) 12.029 3.273 ( 7.816 -5.351 -12.020) 15.304 3.929 ( 3.826 -6.559 0.580) 7.616 4.002 ( 3.900 -6.598 -3.813) 8.560 4.292 ( 6.247 0.047 14.711) 15.983 4.376 ( 0.787 0.213 4.399) 4.474 4.633 ( -3.145 13.129 -0.466) 13.509 4.748 ( -5.046 7.198 -13.043) 15.729 4.889 ( -12.777 3.721 -10.826) 17.156 4.956 ( -11.685 9.987 -12.385) 19.740 5.341 ( -16.237 14.324 7.454) 22.899 5.539 ( -17.955 12.706 -9.675) 24.030 5.804 ( 13.011 17.312 18.228) 28.306 6.217 ( 5.970 6.411 -20.210) 22.027 7.025 ( -18.189 -5.111 8.612) 20.763 7.183 ( -16.546 -7.208 -6.326) 19.125 7.686 ( 4.442 -10.707 4.003) 12.263 7.741 ( 3.336 -7.381 -1.333) 8.209 7.878 ( -1.019 -9.441 3.817) 10.234 7.945 ( -0.876 -9.752 -2.587) 10.127 8.456 ( 5.647 -1.564 4.924) 7.654 8.544 ( 6.418 -2.363 -3.102) 7.510 8.763 ( -1.749 4.907 1.981) 5.573 8.795 ( 0.046 4.956 -0.703) 5.006 9.618 ( 3.994 -8.725 8.966) 13.133 9.770 ( 5.244 -10.500 -5.299) 12.877 10.097 ( 4.199 1.349 6.892) 8.182 10.213 ( 5.064 0.022 -4.058) 6.489 13.164 ( 10.006 -1.564 3.733) 10.794 13.219 ( 10.862 -3.669 -0.919) 11.502 13.706 ( -4.217 2.162 4.676) 6.657 13.819 ( -5.905 -2.112 -5.411) 8.283 14.554 ( 6.625 -0.900 8.892) 11.125 14.668 ( 7.002 -1.567 -0.439) 7.189 15.195 ( -8.392 6.600 6.231) 12.362 15.366 ( -5.536 6.587 -8.518) 12.108 18.870 ( 0.689 -1.394 1.261) 2.002 18.918 ( 1.027 -2.477 -3.308) 4.259 19.153 ( -1.645 2.645 1.558) 3.482 19.219 ( -0.741 2.766 -4.681) 5.487 21.548 ( 0.085 -1.921 5.567) 5.890 21.650 ( 0.671 -1.526 -4.136) 4.459 21.751 ( 0.500 1.550 3.475) 3.838 21.812 ( 1.165 1.001 -2.473) 2.911 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 8.520 7.329 6.920) 13.198 2.606 ( 6.378 4.813 2.998) 8.534 2.798 ( -7.828 8.855 1.723) 11.944 2.915 ( -3.491 8.727 -3.616) 10.071 3.404 ( 12.638 -10.232 9.336) 18.751 3.525 ( 15.503 -10.032 1.704) 18.544 3.850 ( -12.846 -5.790 1.052) 14.130 4.015 ( -5.095 -4.288 -12.095) 13.807 4.375 ( 1.534 2.847 6.623) 7.371 4.410 ( 1.150 0.641 9.855) 9.942 4.589 ( 2.439 8.386 2.919) 9.208 4.669 ( 0.254 4.332 -7.347) 8.533 4.723 ( -0.722 3.798 -6.346) 7.431 4.915 ( 3.127 3.171 -18.004) 18.547 5.056 ( -10.668 8.388 -5.058) 14.482 5.174 ( -16.511 9.608 -11.525) 22.311 6.150 ( 19.035 12.840 13.945) 26.864 6.412 ( 11.288 5.914 -8.420) 15.274 6.631 ( -18.849 5.462 6.690) 20.734 6.836 ( -16.191 3.858 -10.233) 19.539 7.769 ( 3.566 -8.833 3.360) 10.100 7.814 ( 3.360 -6.033 -0.794) 6.951 7.843 ( -2.199 -11.093 3.416) 11.814 7.904 ( -2.770 -10.801 -2.174) 11.360 8.552 ( 3.254 -3.999 5.182) 7.310 8.647 ( 3.411 -3.757 -3.313) 6.060 8.725 ( -1.822 4.780 3.778) 6.360 8.792 ( -0.389 5.526 -2.096) 5.923 9.674 ( 1.433 -9.584 9.529) 13.591 9.843 ( 1.850 -11.436 -6.594) 13.330 10.155 ( 1.499 1.592 8.327) 8.609 10.283 ( 1.804 -0.045 -4.021) 4.407 13.335 ( 5.782 -1.969 7.144) 9.400 13.423 ( 9.122 -3.281 2.266) 9.956 13.596 ( -6.695 -0.930 -0.464) 6.776 13.707 ( -4.154 -2.391 -7.525) 8.921 14.669 ( 3.751 0.467 10.797) 11.440 14.827 ( 8.549 1.651 0.354) 8.714 15.018 ( -9.008 5.135 8.106) 13.162 15.269 ( -3.216 6.353 -11.348) 13.397 18.879 ( 0.243 -1.561 1.144) 1.950 18.934 ( 0.513 -2.354 -4.142) 4.792 19.127 ( -0.774 2.542 2.528) 3.668 19.207 ( -0.359 2.685 -5.145) 5.814 21.551 ( 0.107 -2.108 6.017) 6.377 21.660 ( 0.300 -1.674 -4.490) 4.802 21.758 ( 0.179 1.642 4.137) 4.454 21.829 ( 0.466 1.262 -2.777) 3.086 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 1.274 -2.725) 3.008 2.083 ( 0.000 -0.108 -2.483) 2.485 2.478 ( 0.000 -1.027 -0.423) 1.111 2.525 ( 0.000 -4.840 -4.868) 6.864 3.053 ( 0.000 11.053 2.366) 11.303 3.172 ( 0.000 0.799 -7.899) 7.939 4.067 ( 0.000 2.081 1.095) 2.352 4.076 ( 0.000 1.190 3.379) 3.583 4.248 ( 0.000 -3.965 3.702) 5.425 4.329 ( 0.000 -11.702 -3.485) 12.210 4.606 ( 0.000 20.002 3.366) 20.283 4.860 ( 0.000 -1.075 -13.863) 13.904 5.279 ( 0.000 9.925 12.248) 15.765 5.574 ( 0.000 -11.037 -9.574) 14.611 6.090 ( 0.000 12.204 2.767) 12.514 6.180 ( 0.000 10.136 -2.400) 10.417 6.499 ( 0.000 12.346 7.308) 14.347 6.706 ( 0.000 3.075 -9.821) 10.292 6.980 ( 0.000 -13.519 4.990) 14.411 7.090 ( 0.000 -17.335 -4.249) 17.848 7.672 ( 0.000 -0.786 1.934) 2.088 7.700 ( 0.000 -3.638 -0.691) 3.704 7.777 ( 0.000 -1.248 0.210) 1.266 7.791 ( 0.000 -2.111 -1.095) 2.378 8.090 ( 0.000 -3.124 1.567) 3.495 8.099 ( 0.000 -3.846 0.753) 3.919 8.915 ( 0.000 0.319 1.229) 1.270 8.916 ( 0.000 0.516 0.964) 1.093 9.350 ( 0.000 0.409 2.074) 2.114 9.365 ( 0.000 -0.999 0.736) 1.241 9.861 ( 0.000 0.357 0.831) 0.904 9.877 ( 0.000 -1.184 -0.669) 1.360 12.735 ( 0.000 -0.342 -0.305) 0.458 12.740 ( 0.000 -0.862 -0.754) 1.145 13.923 ( 0.000 4.341 7.735) 8.870 13.986 ( 0.000 -1.837 2.320) 2.959 14.314 ( 0.000 0.293 0.579) 0.649 14.352 ( 0.000 -3.302 -2.519) 4.153 15.608 ( 0.000 2.366 -1.477) 2.789 15.611 ( 0.000 2.067 -1.571) 2.597 18.825 ( 0.000 -0.117 0.390) 0.407 18.834 ( 0.000 -0.977 -0.453) 1.077 19.271 ( 0.000 1.209 -1.575) 1.985 19.274 ( 0.000 0.952 -1.775) 2.014 21.582 ( 0.000 0.710 0.999) 1.226 21.597 ( 0.000 -0.677 -0.438) 0.807 21.735 ( 0.000 0.082 0.356) 0.365 21.739 ( 0.000 -0.395 0.016) 0.395 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.11 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.836 0.423 -2.255) 6.270 2.152 ( 6.174 -0.001 -2.272) 6.579 2.439 ( -1.331 -2.597 2.831) 4.066 2.559 ( 2.575 -3.815 -4.945) 6.755 3.099 ( 4.538 9.345 1.502) 10.497 3.234 ( 5.687 3.492 -8.394) 10.724 3.930 ( -11.768 -3.019 1.293) 12.218 4.003 ( -9.415 -2.934 -4.829) 10.981 4.177 ( -1.312 -0.788 13.362) 13.450 4.279 ( -1.585 -7.030 2.824) 7.740 4.722 ( 7.250 15.314 -4.482) 17.527 4.889 ( 1.886 1.363 -17.567) 17.720 5.397 ( 8.646 9.472 10.975) 16.880 5.585 ( -0.889 -3.047 -3.053) 4.404 6.038 ( -6.171 10.693 1.906) 12.492 6.119 ( -5.800 4.447 -4.498) 8.582 6.383 ( -9.228 16.025 4.709) 19.082 6.546 ( -13.363 7.577 -8.171) 17.400 6.938 ( -3.178 -18.726 6.565) 20.097 7.068 ( -2.180 -19.302 -4.718) 19.990 7.640 ( -3.799 -2.102 1.467) 4.583 7.676 ( -2.464 -2.589 -1.318) 3.810 7.793 ( 1.651 -1.299 0.947) 2.305 7.801 ( 0.788 -1.890 -0.315) 2.072 8.162 ( 6.599 -1.907 1.633) 7.061 8.177 ( 7.028 -3.008 0.036) 7.645 8.899 ( -1.017 1.114 1.641) 2.229 8.912 ( -0.723 1.197 0.121) 1.404 9.364 ( 1.941 -0.864 3.862) 4.408 9.410 ( 3.739 -2.027 -0.637) 4.301 9.901 ( 4.116 0.067 2.506) 4.820 9.948 ( 5.911 -0.611 -1.937) 6.251 12.792 ( 5.521 -0.456 0.119) 5.541 12.803 ( 5.936 -0.817 -0.923) 6.062 13.896 ( -2.321 3.171 7.198) 8.201 13.977 ( -1.692 -0.956 0.225) 1.956 14.318 ( 1.741 -0.853 3.834) 4.297 14.400 ( 3.824 -1.969 -3.004) 5.247 15.552 ( -4.119 2.344 1.322) 4.920 15.613 ( -1.239 2.298 -4.170) 4.920 18.828 ( 0.427 -0.112 0.548) 0.704 18.843 ( 0.684 -1.044 -0.869) 1.521 19.255 ( -1.169 1.084 -0.599) 1.703 19.278 ( -0.006 1.070 -2.788) 2.986 21.557 ( -1.563 -0.074 2.865) 3.264 21.610 ( 0.543 -0.263 -2.246) 2.326 21.739 ( 0.664 0.172 1.225) 1.404 21.758 ( 1.470 -0.150 -0.650) 1.615 ======================= Grid point 281 (98/100) ======================= q-point: ( 0.22 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 6.101 1.732 -0.786) 6.391 2.304 ( 8.935 -0.187 -2.660) 9.324 2.516 ( 10.343 -4.559 8.118) 13.916 2.655 ( 7.797 -4.884 -1.829) 9.381 3.204 ( 4.049 8.555 0.610) 9.484 3.343 ( 2.082 7.061 -8.534) 11.270 3.732 ( -3.967 -7.041 3.033) 8.632 3.811 ( -5.615 -9.038 -4.170) 11.428 4.207 ( 3.535 1.107 11.205) 11.802 4.295 ( 2.560 -2.756 3.555) 5.176 4.824 ( 2.647 8.891 -11.547) 14.812 4.907 ( -0.787 2.156 -19.366) 19.501 5.392 ( -14.729 9.250 7.812) 19.067 5.492 ( -9.447 5.642 2.885) 11.375 5.820 ( -13.461 6.849 1.621) 15.190 5.961 ( -9.484 0.001 -7.235) 11.928 6.219 ( -6.887 20.837 3.026) 22.154 6.345 ( -1.777 14.859 -6.545) 16.333 6.881 ( -2.209 -22.964 8.429) 24.562 7.025 ( -1.784 -20.498 -4.803) 21.129 7.547 ( -4.273 -1.303 3.147) 5.464 7.616 ( -2.775 -3.104 -2.597) 4.907 7.807 ( -0.580 -1.146 1.459) 1.944 7.824 ( 0.921 -2.265 -0.626) 2.524 8.308 ( 6.962 -0.834 2.362) 7.399 8.341 ( 8.316 -2.383 -0.862) 8.693 8.883 ( -0.612 2.730 1.201) 3.044 8.892 ( -0.921 2.274 0.264) 2.467 9.421 ( 3.365 -2.492 5.233) 6.702 9.499 ( 4.723 -4.550 -2.215) 6.922 10.006 ( 5.776 0.195 4.620) 7.399 10.083 ( 6.950 -0.378 -2.664) 7.453 12.945 ( 9.366 -0.408 0.914) 9.419 12.963 ( 9.486 -1.100 -0.692) 9.575 13.836 ( -3.739 2.167 4.740) 6.415 13.904 ( -5.397 -1.129 -1.543) 5.726 14.400 ( 6.192 -0.651 7.042) 9.400 14.500 ( 6.304 -1.092 -1.729) 6.628 15.444 ( -6.625 2.507 3.828) 8.052 15.559 ( -4.014 2.446 -6.481) 8.006 18.842 ( 0.857 0.126 0.245) 0.901 18.858 ( 0.868 -1.390 -1.276) 2.077 19.226 ( -1.698 1.048 0.497) 2.056 19.272 ( -0.571 1.059 -3.861) 4.044 21.531 ( -0.877 -0.478 4.681) 4.786 21.619 ( 0.415 -0.435 -3.663) 3.712 21.756 ( 0.917 0.426 2.130) 2.358 21.792 ( 1.760 0.108 -1.319) 2.202 ======================= Grid point 282 (99/100) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 10.396 3.369 2.300) 11.168 2.503 ( 10.450 2.224 -2.232) 10.915 2.809 ( 16.777 -4.618 11.316) 20.757 2.877 ( 13.772 -4.602 8.652) 16.903 3.191 ( -4.784 5.788 -3.588) 8.322 3.264 ( -5.970 0.670 -6.004) 8.493 3.809 ( 7.089 -3.331 -0.981) 7.894 3.852 ( 6.983 -6.293 -4.530) 10.435 4.310 ( 6.551 1.306 9.305) 11.454 4.370 ( 4.557 -0.899 2.802) 5.424 4.829 ( -7.491 2.661 -15.017) 16.991 4.834 ( -1.790 3.649 -16.421) 16.916 4.998 ( -19.301 6.807 3.956) 20.844 5.118 ( -21.009 3.474 -2.302) 21.418 5.530 ( -16.153 5.689 0.326) 17.128 5.674 ( -18.708 0.701 -9.972) 21.212 6.249 ( 8.140 23.784 8.901) 26.667 6.406 ( 5.644 10.294 -5.905) 13.141 6.832 ( -3.475 -14.806 8.533) 17.439 6.985 ( -2.560 -10.842 -5.961) 12.634 7.505 ( 0.394 -4.385 4.523) 6.313 7.585 ( -0.153 -5.863 -2.513) 6.381 7.772 ( -2.771 -1.887 3.127) 4.584 7.820 ( -1.373 -3.093 -1.715) 3.794 8.424 ( 4.482 -1.081 3.530) 5.806 8.488 ( 6.085 -2.135 -2.382) 6.874 8.859 ( -1.450 3.654 2.411) 4.612 8.894 ( 0.663 3.390 -0.638) 3.512 9.485 ( 2.757 -3.577 5.840) 7.383 9.585 ( 3.613 -6.587 -3.763) 8.402 10.112 ( 4.425 0.345 6.429) 7.812 10.207 ( 5.024 -0.337 -2.669) 5.699 13.147 ( 10.018 -0.040 2.132) 10.242 13.164 ( 10.355 -1.785 0.693) 10.530 13.741 ( -6.100 1.575 0.966) 6.374 13.776 ( -6.643 -2.021 -2.151) 7.269 14.548 ( 7.855 -0.017 9.086) 12.011 14.656 ( 9.138 -0.045 0.283) 9.143 15.287 ( -8.954 2.421 5.760) 10.919 15.459 ( -5.668 2.449 -9.015) 10.927 18.856 ( 0.425 -0.115 0.112) 0.454 18.880 ( 1.241 -1.204 -2.188) 2.788 19.190 ( -1.754 0.990 1.662) 2.611 19.257 ( -0.819 1.017 -4.693) 4.871 21.521 ( -0.148 -0.691 5.798) 5.841 21.628 ( 0.512 -0.564 -4.412) 4.477 21.772 ( 0.620 0.546 3.134) 3.241 21.825 ( 1.433 0.304 -1.997) 2.476 ======================= Grid point 283 (100/100) ======================= q-point: ( 0.44 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 9.629 5.031 7.588) 13.252 2.686 ( 7.046 2.231 6.471) 9.824 2.939 ( -6.704 4.618 1.991) 8.380 3.067 ( -0.395 5.382 -4.080) 6.765 3.235 ( 12.279 -5.321 9.016) 16.136 3.350 ( 18.171 -6.687 4.701) 19.925 3.757 ( -14.624 -2.859 1.566) 14.983 3.950 ( -0.582 -1.818 -14.558) 14.682 4.398 ( -0.427 0.404 8.142) 8.164 4.434 ( 1.226 0.880 3.198) 3.536 4.684 ( 0.019 1.537 -6.719) 6.892 4.725 ( -3.306 0.959 -13.546) 13.977 4.811 ( -4.085 4.595 0.138) 6.150 4.950 ( 6.664 0.159 -8.759) 11.007 5.210 ( -13.445 6.002 -6.544) 16.112 5.280 ( -18.304 0.817 -10.694) 21.215 6.422 ( 6.533 12.144 6.590) 15.284 6.526 ( 5.347 2.620 -3.142) 6.732 6.733 ( -5.498 4.045 9.850) 11.984 6.930 ( -2.210 4.110 -8.259) 9.486 7.542 ( 2.166 -9.556 3.872) 10.536 7.605 ( 1.610 -9.845 -1.943) 10.163 7.710 ( -2.716 -2.934 4.976) 6.384 7.779 ( -1.972 -2.975 -1.540) 3.887 8.486 ( 1.636 -1.888 3.911) 4.641 8.576 ( 2.384 -2.408 -4.266) 5.448 8.834 ( -0.841 4.437 4.792) 6.585 8.906 ( 0.362 4.027 -1.860) 4.451 9.525 ( 1.040 -4.062 6.115) 7.414 9.636 ( 1.325 -7.613 -4.679) 9.034 10.174 ( 1.607 0.453 7.431) 7.616 10.277 ( 1.780 -0.353 -2.515) 3.101 13.310 ( 5.188 -0.621 6.237) 8.137 13.377 ( 10.425 -1.239 2.123) 10.711 13.580 ( -9.252 -0.494 -0.565) 9.282 13.669 ( -3.578 -1.106 -6.922) 7.870 14.681 ( 4.275 0.465 11.881) 12.635 14.857 ( 10.355 0.993 -0.603) 10.420 15.091 ( -10.135 1.985 8.892) 13.628 15.358 ( -3.380 2.336 -12.191) 12.864 18.861 ( 0.119 -0.379 0.383) 0.552 18.901 ( 0.633 -0.947 -3.465) 3.647 19.162 ( -0.818 0.941 2.676) 2.952 19.244 ( -0.400 0.978 -5.140) 5.247 21.521 ( 0.050 -0.767 6.299) 6.346 21.637 ( 0.250 -0.620 -4.771) 4.818 21.780 ( 0.211 0.589 3.900) 3.950 21.846 ( 0.556 0.399 -2.452) 2.545 =================== 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 3/27216 10.0 1557.003 1499.514 2110.425 0.000 0.000 0.000 3/27216 20.0 553.986 779.522 816.087 0.000 0.000 0.000 3/27216 30.0 241.010 346.975 330.812 0.000 0.000 0.000 3/27216 40.0 133.838 192.696 175.139 0.000 0.000 0.000 3/27216 50.0 86.349 122.550 110.234 0.000 0.000 0.000 3/27216 60.0 61.279 85.408 77.259 0.000 0.000 0.000 3/27216 70.0 46.467 63.723 58.203 0.000 0.000 0.000 3/27216 80.0 36.966 50.044 46.137 0.000 0.000 0.000 3/27216 90.0 30.473 40.848 37.955 0.000 0.000 0.000 3/27216 100.0 25.810 34.337 32.107 0.000 0.000 0.000 3/27216 110.0 22.326 29.529 27.751 0.000 0.000 0.000 3/27216 120.0 19.639 25.856 24.399 0.000 0.000 0.000 3/27216 130.0 17.512 22.971 21.750 0.000 0.000 0.000 3/27216 140.0 15.791 20.652 19.610 0.000 0.000 0.000 3/27216 150.0 14.374 18.751 17.849 0.000 0.000 0.000 3/27216 160.0 13.188 17.168 16.377 0.000 0.000 0.000 3/27216 170.0 12.183 15.831 15.130 0.000 0.000 0.000 3/27216 180.0 11.320 14.687 14.061 0.000 0.000 0.000 3/27216 190.0 10.573 13.698 13.134 0.000 0.000 0.000 3/27216 200.0 9.919 12.836 12.324 0.000 0.000 0.000 3/27216 210.0 9.343 12.077 11.610 0.000 0.000 0.000 3/27216 220.0 8.831 11.404 10.976 0.000 0.000 0.000 3/27216 230.0 8.373 10.803 10.410 0.000 0.000 0.000 3/27216 240.0 7.961 10.264 9.900 0.000 0.000 0.000 3/27216 250.0 7.589 9.777 9.440 0.000 0.000 0.000 3/27216 260.0 7.251 9.335 9.021 0.000 0.000 0.000 3/27216 270.0 6.943 8.933 8.639 0.000 0.000 0.000 3/27216 280.0 6.660 8.564 8.290 0.000 0.000 0.000 3/27216 290.0 6.400 8.226 7.968 0.000 0.000 0.000 3/27216 300.0 6.160 7.914 7.671 0.000 0.000 0.000 3/27216 310.0 5.938 7.625 7.396 0.000 0.000 0.000 3/27216 320.0 5.732 7.357 7.140 0.000 0.000 0.000 3/27216 330.0 5.540 7.108 6.903 0.000 0.000 0.000 3/27216 340.0 5.361 6.876 6.681 0.000 0.000 0.000 3/27216 350.0 5.193 6.659 6.473 0.000 0.000 0.000 3/27216 360.0 5.036 6.455 6.278 0.000 0.000 0.000 3/27216 370.0 4.888 6.264 6.095 0.000 0.000 0.000 3/27216 380.0 4.749 6.084 5.922 0.000 0.000 0.000 3/27216 390.0 4.618 5.914 5.759 0.000 0.000 0.000 3/27216 400.0 4.494 5.754 5.606 0.000 0.000 0.000 3/27216 410.0 4.376 5.603 5.460 0.000 0.000 0.000 3/27216 420.0 4.265 5.459 5.322 0.000 0.000 0.000 3/27216 430.0 4.159 5.323 5.191 0.000 0.000 0.000 3/27216 440.0 4.059 5.194 5.066 0.000 0.000 0.000 3/27216 450.0 3.963 5.070 4.948 0.000 0.000 0.000 3/27216 460.0 3.872 4.953 4.834 0.000 0.000 0.000 3/27216 470.0 3.785 4.841 4.726 0.000 0.000 0.000 3/27216 480.0 3.702 4.734 4.623 0.000 0.000 0.000 3/27216 490.0 3.623 4.632 4.525 0.000 0.000 0.000 3/27216 500.0 3.547 4.534 4.430 0.000 0.000 0.000 3/27216 510.0 3.474 4.441 4.340 0.000 0.000 0.000 3/27216 520.0 3.404 4.351 4.253 0.000 0.000 0.000 3/27216 530.0 3.337 4.265 4.169 0.000 0.000 0.000 3/27216 540.0 3.273 4.182 4.089 0.000 0.000 0.000 3/27216 550.0 3.211 4.103 4.012 0.000 0.000 0.000 3/27216 560.0 3.151 4.026 3.938 0.000 0.000 0.000 3/27216 570.0 3.094 3.953 3.867 0.000 0.000 0.000 3/27216 580.0 3.039 3.882 3.798 0.000 0.000 0.000 3/27216 590.0 2.985 3.813 3.732 0.000 0.000 0.000 3/27216 600.0 2.934 3.747 3.667 0.000 0.000 0.000 3/27216 610.0 2.884 3.683 3.606 0.000 0.000 0.000 3/27216 620.0 2.836 3.622 3.546 0.000 0.000 0.000 3/27216 630.0 2.790 3.562 3.488 0.000 0.000 0.000 3/27216 640.0 2.745 3.505 3.432 0.000 0.000 0.000 3/27216 650.0 2.702 3.449 3.378 0.000 0.000 0.000 3/27216 660.0 2.659 3.395 3.325 0.000 0.000 0.000 3/27216 670.0 2.619 3.343 3.275 0.000 0.000 0.000 3/27216 680.0 2.579 3.292 3.225 0.000 0.000 0.000 3/27216 690.0 2.541 3.243 3.178 0.000 0.000 0.000 3/27216 700.0 2.504 3.196 3.131 0.000 0.000 0.000 3/27216 710.0 2.467 3.149 3.086 0.000 0.000 0.000 3/27216 720.0 2.432 3.104 3.042 0.000 0.000 0.000 3/27216 730.0 2.398 3.061 3.000 0.000 0.000 0.000 3/27216 740.0 2.365 3.018 2.959 0.000 0.000 0.000 3/27216 750.0 2.333 2.977 2.918 0.000 0.000 0.000 3/27216 760.0 2.302 2.937 2.879 0.000 0.000 0.000 3/27216 770.0 2.271 2.898 2.841 0.000 0.000 0.000 3/27216 780.0 2.241 2.860 2.804 0.000 0.000 0.000 3/27216 790.0 2.212 2.823 2.768 0.000 0.000 0.000 3/27216 800.0 2.184 2.787 2.733 0.000 0.000 0.000 3/27216 810.0 2.157 2.752 2.699 0.000 0.000 0.000 3/27216 820.0 2.130 2.717 2.665 0.000 0.000 0.000 3/27216 830.0 2.104 2.684 2.633 0.000 0.000 0.000 3/27216 840.0 2.078 2.651 2.601 0.000 0.000 0.000 3/27216 850.0 2.054 2.620 2.570 0.000 0.000 0.000 3/27216 860.0 2.029 2.589 2.539 0.000 0.000 0.000 3/27216 870.0 2.006 2.558 2.510 0.000 0.000 0.000 3/27216 880.0 1.982 2.529 2.481 0.000 0.000 0.000 3/27216 890.0 1.960 2.500 2.453 0.000 0.000 0.000 3/27216 900.0 1.938 2.472 2.425 0.000 0.000 0.000 3/27216 910.0 1.916 2.444 2.398 0.000 0.000 0.000 3/27216 920.0 1.895 2.417 2.372 0.000 0.000 0.000 3/27216 930.0 1.874 2.391 2.346 0.000 0.000 0.000 3/27216 940.0 1.854 2.365 2.321 0.000 0.000 0.000 3/27216 950.0 1.834 2.339 2.296 0.000 0.000 0.000 3/27216 960.0 1.815 2.315 2.272 0.000 0.000 0.000 3/27216 970.0 1.796 2.290 2.248 0.000 0.000 0.000 3/27216 980.0 1.777 2.267 2.225 0.000 0.000 0.000 3/27216 990.0 1.759 2.244 2.202 0.000 0.000 0.000 3/27216 1000.0 1.741 2.221 2.180 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:31:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|