----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:59:33]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.488638020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.051917829999999 Atomic positions (fractional): *1 H 0.91482718982286 0.48903410365372 0.18192204617390 1.008 2 H 0.08517281017714 0.98903410365372 0.81807795382610 1.008 3 H 0.58517281017714 0.51096589634628 0.68192204617390 1.008 4 H 0.41482718982286 0.01096589634628 0.31807795382610 1.008 5 H 0.08517281017714 0.51096589634628 0.81807795382610 1.008 6 H 0.91482718982286 0.01096589634628 0.18192204617390 1.008 7 H 0.41482718982286 0.48903410365372 0.31807795382610 1.008 8 H 0.58517281017714 0.98903410365372 0.68192204617390 1.008 *9 H 0.72762383015998 0.75000000000000 0.95848590460430 1.008 10 H 0.27237616984002 0.25000000000000 0.04151409539570 1.008 11 H 0.77237616984002 0.25000000000000 0.45848590460430 1.008 12 H 0.22762383015998 0.75000000000000 0.54151409539570 1.008 *13 H 0.08914708795116 0.25000000000000 0.43763149325051 1.008 14 H 0.91085291204884 0.75000000000000 0.56236850674949 1.008 15 H 0.41085291204884 0.75000000000000 0.93763149325051 1.008 16 H 0.58914708795116 0.25000000000000 0.06236850674949 1.008 *17 Al 0.57479959509077 0.75000000000000 0.82039542386887 26.982 18 Al 0.42520040490923 0.25000000000000 0.17960457613113 26.982 19 Al 0.92520040490923 0.25000000000000 0.32039542386887 26.982 20 Al 0.07479959509077 0.75000000000000 0.67960457613113 26.982 *21 K 0.82799981262136 0.25000000000000 0.83525568525444 39.098 22 K 0.17200018737864 0.75000000000000 0.16474431474556 39.098 23 K 0.67200018737864 0.75000000000000 0.33525568525444 39.098 24 K 0.32799981262136 0.25000000000000 0.66474431474556 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.488638020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.051917829999999 Atomic positions (fractional): *1 H 0.91482718982286 0.48903410365372 0.18192204617390 1.008 > 1 2 H 0.08517281017714 0.98903410365372 0.81807795382610 1.008 > 2 3 H 0.58517281017714 0.51096589634628 0.68192204617390 1.008 > 3 4 H 0.41482718982286 0.01096589634628 0.31807795382610 1.008 > 4 5 H 0.08517281017714 0.51096589634628 0.81807795382610 1.008 > 5 6 H 0.91482718982286 0.01096589634628 0.18192204617390 1.008 > 6 7 H 0.41482718982286 0.48903410365372 0.31807795382610 1.008 > 7 8 H 0.58517281017714 0.98903410365372 0.68192204617390 1.008 > 8 *9 H 0.72762383015998 0.75000000000000 0.95848590460430 1.008 > 9 10 H 0.27237616984002 0.25000000000000 0.04151409539570 1.008 > 10 11 H 0.77237616984002 0.25000000000000 0.45848590460430 1.008 > 11 12 H 0.22762383015998 0.75000000000000 0.54151409539570 1.008 > 12 *13 H 0.08914708795116 0.25000000000000 0.43763149325051 1.008 > 13 14 H 0.91085291204884 0.75000000000000 0.56236850674949 1.008 > 14 15 H 0.41085291204884 0.75000000000000 0.93763149325051 1.008 > 15 16 H 0.58914708795116 0.25000000000000 0.06236850674949 1.008 > 16 *17 Al 0.57479959509077 0.75000000000000 0.82039542386887 26.982 > 17 18 Al 0.42520040490923 0.25000000000000 0.17960457613113 26.982 > 18 19 Al 0.92520040490923 0.25000000000000 0.32039542386887 26.982 > 19 20 Al 0.07479959509077 0.75000000000000 0.67960457613113 26.982 > 20 *21 K 0.82799981262136 0.25000000000000 0.83525568525444 39.098 > 21 22 K 0.17200018737864 0.75000000000000 0.16474431474556 39.098 > 22 23 K 0.67200018737864 0.75000000000000 0.33525568525444 39.098 > 23 24 K 0.32799981262136 0.25000000000000 0.66474431474556 39.098 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.977276040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.103835659999998 Atomic positions (fractional): *1 H 0.91482718982286 0.24451705182686 0.09096102308695 1.008 > 1 2 H 0.91482718982286 0.74451705182686 0.09096102308695 1.008 > 1 3 H 0.91482718982286 0.24451705182686 0.59096102308695 1.008 > 1 4 H 0.91482718982286 0.74451705182686 0.59096102308695 1.008 > 1 5 H 0.08517281017714 0.49451705182686 0.40903897691305 1.008 > 2 6 H 0.08517281017714 0.99451705182686 0.40903897691305 1.008 > 2 7 H 0.08517281017714 0.49451705182686 0.90903897691305 1.008 > 2 8 H 0.08517281017714 0.99451705182686 0.90903897691305 1.008 > 2 9 H 0.58517281017714 0.25548294817314 0.34096102308695 1.008 > 3 10 H 0.58517281017714 0.75548294817314 0.34096102308695 1.008 > 3 11 H 0.58517281017714 0.25548294817314 0.84096102308695 1.008 > 3 12 H 0.58517281017714 0.75548294817314 0.84096102308695 1.008 > 3 13 H 0.41482718982286 0.00548294817314 0.15903897691305 1.008 > 4 14 H 0.41482718982286 0.50548294817314 0.15903897691305 1.008 > 4 15 H 0.41482718982286 0.00548294817314 0.65903897691305 1.008 > 4 16 H 0.41482718982286 0.50548294817314 0.65903897691305 1.008 > 4 17 H 0.08517281017714 0.25548294817314 0.40903897691305 1.008 > 5 18 H 0.08517281017714 0.75548294817314 0.40903897691305 1.008 > 5 19 H 0.08517281017714 0.25548294817314 0.90903897691305 1.008 > 5 20 H 0.08517281017714 0.75548294817314 0.90903897691305 1.008 > 5 21 H 0.91482718982286 0.00548294817314 0.09096102308695 1.008 > 6 22 H 0.91482718982286 0.50548294817314 0.09096102308695 1.008 > 6 23 H 0.91482718982286 0.00548294817314 0.59096102308695 1.008 > 6 24 H 0.91482718982286 0.50548294817314 0.59096102308695 1.008 > 6 25 H 0.41482718982286 0.24451705182686 0.15903897691305 1.008 > 7 26 H 0.41482718982286 0.74451705182686 0.15903897691305 1.008 > 7 27 H 0.41482718982286 0.24451705182686 0.65903897691305 1.008 > 7 28 H 0.41482718982286 0.74451705182686 0.65903897691305 1.008 > 7 29 H 0.58517281017714 0.49451705182686 0.34096102308695 1.008 > 8 30 H 0.58517281017714 0.99451705182686 0.34096102308695 1.008 > 8 31 H 0.58517281017714 0.49451705182686 0.84096102308695 1.008 > 8 32 H 0.58517281017714 0.99451705182686 0.84096102308695 1.008 > 8 *33 H 0.72762383015998 0.37500000000000 0.47924295230215 1.008 > 9 34 H 0.72762383015998 0.87500000000000 0.47924295230215 1.008 > 9 35 H 0.72762383015998 0.37500000000000 0.97924295230215 1.008 > 9 36 H 0.72762383015998 0.87500000000000 0.97924295230215 1.008 > 9 37 H 0.27237616984002 0.12500000000000 0.02075704769785 1.008 > 10 38 H 0.27237616984002 0.62500000000000 0.02075704769785 1.008 > 10 39 H 0.27237616984002 0.12500000000000 0.52075704769785 1.008 > 10 40 H 0.27237616984002 0.62500000000000 0.52075704769785 1.008 > 10 41 H 0.77237616984002 0.12500000000000 0.22924295230215 1.008 > 11 42 H 0.77237616984002 0.62500000000000 0.22924295230215 1.008 > 11 43 H 0.77237616984002 0.12500000000000 0.72924295230215 1.008 > 11 44 H 0.77237616984002 0.62500000000000 0.72924295230215 1.008 > 11 45 H 0.22762383015998 0.37500000000000 0.27075704769785 1.008 > 12 46 H 0.22762383015998 0.87500000000000 0.27075704769785 1.008 > 12 47 H 0.22762383015998 0.37500000000000 0.77075704769785 1.008 > 12 48 H 0.22762383015998 0.87500000000000 0.77075704769785 1.008 > 12 *49 H 0.08914708795116 0.12500000000000 0.21881574662526 1.008 > 13 50 H 0.08914708795116 0.62500000000000 0.21881574662526 1.008 > 13 51 H 0.08914708795116 0.12500000000000 0.71881574662526 1.008 > 13 52 H 0.08914708795116 0.62500000000000 0.71881574662526 1.008 > 13 53 H 0.91085291204884 0.37500000000000 0.28118425337474 1.008 > 14 54 H 0.91085291204884 0.87500000000000 0.28118425337474 1.008 > 14 55 H 0.91085291204884 0.37500000000000 0.78118425337474 1.008 > 14 56 H 0.91085291204884 0.87500000000000 0.78118425337474 1.008 > 14 57 H 0.41085291204884 0.37500000000000 0.46881574662526 1.008 > 15 58 H 0.41085291204884 0.87500000000000 0.46881574662526 1.008 > 15 59 H 0.41085291204884 0.37500000000000 0.96881574662526 1.008 > 15 60 H 0.41085291204884 0.87500000000000 0.96881574662526 1.008 > 15 61 H 0.58914708795116 0.12500000000000 0.03118425337474 1.008 > 16 62 H 0.58914708795116 0.62500000000000 0.03118425337474 1.008 > 16 63 H 0.58914708795116 0.12500000000000 0.53118425337474 1.008 > 16 64 H 0.58914708795116 0.62500000000000 0.53118425337474 1.008 > 16 *65 Al 0.57479959509077 0.37500000000000 0.41019771193444 26.982 > 17 66 Al 0.57479959509077 0.87500000000000 0.41019771193444 26.982 > 17 67 Al 0.57479959509077 0.37500000000000 0.91019771193444 26.982 > 17 68 Al 0.57479959509077 0.87500000000000 0.91019771193444 26.982 > 17 69 Al 0.42520040490923 0.12500000000000 0.08980228806556 26.982 > 18 70 Al 0.42520040490923 0.62500000000000 0.08980228806556 26.982 > 18 71 Al 0.42520040490923 0.12500000000000 0.58980228806556 26.982 > 18 72 Al 0.42520040490923 0.62500000000000 0.58980228806556 26.982 > 18 73 Al 0.92520040490923 0.12500000000000 0.16019771193444 26.982 > 19 74 Al 0.92520040490923 0.62500000000000 0.16019771193444 26.982 > 19 75 Al 0.92520040490923 0.12500000000000 0.66019771193444 26.982 > 19 76 Al 0.92520040490923 0.62500000000000 0.66019771193444 26.982 > 19 77 Al 0.07479959509077 0.37500000000000 0.33980228806556 26.982 > 20 78 Al 0.07479959509077 0.87500000000000 0.33980228806556 26.982 > 20 79 Al 0.07479959509077 0.37500000000000 0.83980228806556 26.982 > 20 80 Al 0.07479959509077 0.87500000000000 0.83980228806556 26.982 > 20 *81 K 0.82799981262136 0.12500000000000 0.41762784262722 39.098 > 21 82 K 0.82799981262136 0.62500000000000 0.41762784262722 39.098 > 21 83 K 0.82799981262136 0.12500000000000 0.91762784262722 39.098 > 21 84 K 0.82799981262136 0.62500000000000 0.91762784262722 39.098 > 21 85 K 0.17200018737864 0.37500000000000 0.08237215737278 39.098 > 22 86 K 0.17200018737864 0.87500000000000 0.08237215737278 39.098 > 22 87 K 0.17200018737864 0.37500000000000 0.58237215737278 39.098 > 22 88 K 0.17200018737864 0.87500000000000 0.58237215737278 39.098 > 22 89 K 0.67200018737864 0.37500000000000 0.16762784262722 39.098 > 23 90 K 0.67200018737864 0.87500000000000 0.16762784262722 39.098 > 23 91 K 0.67200018737864 0.37500000000000 0.66762784262722 39.098 > 23 92 K 0.67200018737864 0.87500000000000 0.66762784262722 39.098 > 23 93 K 0.32799981262136 0.12500000000000 0.33237215737278 39.098 > 24 94 K 0.32799981262136 0.62500000000000 0.33237215737278 39.098 > 24 95 K 0.32799981262136 0.12500000000000 0.83237215737278 39.098 > 24 96 K 0.32799981262136 0.62500000000000 0.83237215737278 39.098 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0130835 0.0000000 0.0000000 0.0000000 3.0723762 0.0000000 0.0000000 0.0000000 3.0134704 -------------------------- Born effective charges -------------------------- 1 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 2 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 3 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 4 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 5 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 6 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 7 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 8 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 9 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 10 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 11 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 12 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 13 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 14 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 15 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 16 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 17 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 18 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 19 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 20 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 21 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 22 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 23 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 24 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.430 Solver_block: 200 / 400 - Time: 0.406 Solver_block: 300 / 400 - Time: 0.405 Solver_block: 400 / 400 - Time: 0.406 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.676 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), 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 2026-01-08 08:59:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:59:52]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.488638020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.051917829999999 Atomic positions (fractional): 1 H 0.91482718982286 0.48903410365372 0.18192204617390 1.008 2 H 0.08517281017714 0.98903410365372 0.81807795382610 1.008 3 H 0.58517281017714 0.51096589634628 0.68192204617390 1.008 4 H 0.41482718982286 0.01096589634628 0.31807795382610 1.008 5 H 0.08517281017714 0.51096589634628 0.81807795382610 1.008 6 H 0.91482718982286 0.01096589634628 0.18192204617390 1.008 7 H 0.41482718982286 0.48903410365372 0.31807795382610 1.008 8 H 0.58517281017714 0.98903410365372 0.68192204617390 1.008 9 H 0.72762383015998 0.75000000000000 0.95848590460430 1.008 10 H 0.27237616984002 0.25000000000000 0.04151409539570 1.008 11 H 0.77237616984002 0.25000000000000 0.45848590460430 1.008 12 H 0.22762383015998 0.75000000000000 0.54151409539570 1.008 13 H 0.08914708795116 0.25000000000000 0.43763149325051 1.008 14 H 0.91085291204884 0.75000000000000 0.56236850674949 1.008 15 H 0.41085291204884 0.75000000000000 0.93763149325051 1.008 16 H 0.58914708795116 0.25000000000000 0.06236850674949 1.008 17 Al 0.57479959509077 0.75000000000000 0.82039542386887 26.982 18 Al 0.42520040490923 0.25000000000000 0.17960457613113 26.982 19 Al 0.92520040490923 0.25000000000000 0.32039542386887 26.982 20 Al 0.07479959509077 0.75000000000000 0.67960457613113 26.982 21 K 0.82799981262136 0.25000000000000 0.83525568525444 39.098 22 K 0.17200018737864 0.75000000000000 0.16474431474556 39.098 23 K 0.67200018737864 0.75000000000000 0.33525568525444 39.098 24 K 0.32799981262136 0.25000000000000 0.66474431474556 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.977276040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.103835659999998 Atomic positions (fractional): 1 H 0.91482718982286 0.24451705182686 0.09096102308695 1.008 > 1 2 H 0.91482718982286 0.74451705182686 0.09096102308695 1.008 > 1 3 H 0.91482718982286 0.24451705182686 0.59096102308695 1.008 > 1 4 H 0.91482718982286 0.74451705182686 0.59096102308695 1.008 > 1 5 H 0.08517281017714 0.49451705182686 0.40903897691305 1.008 > 5 6 H 0.08517281017714 0.99451705182686 0.40903897691305 1.008 > 5 7 H 0.08517281017714 0.49451705182686 0.90903897691305 1.008 > 5 8 H 0.08517281017714 0.99451705182686 0.90903897691305 1.008 > 5 9 H 0.58517281017714 0.25548294817314 0.34096102308695 1.008 > 9 10 H 0.58517281017714 0.75548294817314 0.34096102308695 1.008 > 9 11 H 0.58517281017714 0.25548294817314 0.84096102308695 1.008 > 9 12 H 0.58517281017714 0.75548294817314 0.84096102308695 1.008 > 9 13 H 0.41482718982286 0.00548294817314 0.15903897691305 1.008 > 13 14 H 0.41482718982286 0.50548294817314 0.15903897691305 1.008 > 13 15 H 0.41482718982286 0.00548294817314 0.65903897691305 1.008 > 13 16 H 0.41482718982286 0.50548294817314 0.65903897691305 1.008 > 13 17 H 0.08517281017714 0.25548294817314 0.40903897691305 1.008 > 17 18 H 0.08517281017714 0.75548294817314 0.40903897691305 1.008 > 17 19 H 0.08517281017714 0.25548294817314 0.90903897691305 1.008 > 17 20 H 0.08517281017714 0.75548294817314 0.90903897691305 1.008 > 17 21 H 0.91482718982286 0.00548294817314 0.09096102308695 1.008 > 21 22 H 0.91482718982286 0.50548294817314 0.09096102308695 1.008 > 21 23 H 0.91482718982286 0.00548294817314 0.59096102308695 1.008 > 21 24 H 0.91482718982286 0.50548294817314 0.59096102308695 1.008 > 21 25 H 0.41482718982286 0.24451705182686 0.15903897691305 1.008 > 25 26 H 0.41482718982286 0.74451705182686 0.15903897691305 1.008 > 25 27 H 0.41482718982286 0.24451705182686 0.65903897691305 1.008 > 25 28 H 0.41482718982286 0.74451705182686 0.65903897691305 1.008 > 25 29 H 0.58517281017714 0.49451705182686 0.34096102308695 1.008 > 29 30 H 0.58517281017714 0.99451705182686 0.34096102308695 1.008 > 29 31 H 0.58517281017714 0.49451705182686 0.84096102308695 1.008 > 29 32 H 0.58517281017714 0.99451705182686 0.84096102308695 1.008 > 29 33 H 0.72762383015998 0.37500000000000 0.47924295230215 1.008 > 33 34 H 0.72762383015998 0.87500000000000 0.47924295230215 1.008 > 33 35 H 0.72762383015998 0.37500000000000 0.97924295230215 1.008 > 33 36 H 0.72762383015998 0.87500000000000 0.97924295230215 1.008 > 33 37 H 0.27237616984002 0.12500000000000 0.02075704769785 1.008 > 37 38 H 0.27237616984002 0.62500000000000 0.02075704769785 1.008 > 37 39 H 0.27237616984002 0.12500000000000 0.52075704769785 1.008 > 37 40 H 0.27237616984002 0.62500000000000 0.52075704769785 1.008 > 37 41 H 0.77237616984002 0.12500000000000 0.22924295230215 1.008 > 41 42 H 0.77237616984002 0.62500000000000 0.22924295230215 1.008 > 41 43 H 0.77237616984002 0.12500000000000 0.72924295230215 1.008 > 41 44 H 0.77237616984002 0.62500000000000 0.72924295230215 1.008 > 41 45 H 0.22762383015998 0.37500000000000 0.27075704769785 1.008 > 45 46 H 0.22762383015998 0.87500000000000 0.27075704769785 1.008 > 45 47 H 0.22762383015998 0.37500000000000 0.77075704769785 1.008 > 45 48 H 0.22762383015998 0.87500000000000 0.77075704769785 1.008 > 45 49 H 0.08914708795116 0.12500000000000 0.21881574662526 1.008 > 49 50 H 0.08914708795116 0.62500000000000 0.21881574662526 1.008 > 49 51 H 0.08914708795116 0.12500000000000 0.71881574662526 1.008 > 49 52 H 0.08914708795116 0.62500000000000 0.71881574662526 1.008 > 49 53 H 0.91085291204884 0.37500000000000 0.28118425337474 1.008 > 53 54 H 0.91085291204884 0.87500000000000 0.28118425337474 1.008 > 53 55 H 0.91085291204884 0.37500000000000 0.78118425337474 1.008 > 53 56 H 0.91085291204884 0.87500000000000 0.78118425337474 1.008 > 53 57 H 0.41085291204884 0.37500000000000 0.46881574662526 1.008 > 57 58 H 0.41085291204884 0.87500000000000 0.46881574662526 1.008 > 57 59 H 0.41085291204884 0.37500000000000 0.96881574662526 1.008 > 57 60 H 0.41085291204884 0.87500000000000 0.96881574662526 1.008 > 57 61 H 0.58914708795116 0.12500000000000 0.03118425337474 1.008 > 61 62 H 0.58914708795116 0.62500000000000 0.03118425337474 1.008 > 61 63 H 0.58914708795116 0.12500000000000 0.53118425337474 1.008 > 61 64 H 0.58914708795116 0.62500000000000 0.53118425337474 1.008 > 61 65 Al 0.57479959509077 0.37500000000000 0.41019771193444 26.982 > 65 66 Al 0.57479959509077 0.87500000000000 0.41019771193444 26.982 > 65 67 Al 0.57479959509077 0.37500000000000 0.91019771193444 26.982 > 65 68 Al 0.57479959509077 0.87500000000000 0.91019771193444 26.982 > 65 69 Al 0.42520040490923 0.12500000000000 0.08980228806556 26.982 > 69 70 Al 0.42520040490923 0.62500000000000 0.08980228806556 26.982 > 69 71 Al 0.42520040490923 0.12500000000000 0.58980228806556 26.982 > 69 72 Al 0.42520040490923 0.62500000000000 0.58980228806556 26.982 > 69 73 Al 0.92520040490923 0.12500000000000 0.16019771193444 26.982 > 73 74 Al 0.92520040490923 0.62500000000000 0.16019771193444 26.982 > 73 75 Al 0.92520040490923 0.12500000000000 0.66019771193444 26.982 > 73 76 Al 0.92520040490923 0.62500000000000 0.66019771193444 26.982 > 73 77 Al 0.07479959509077 0.37500000000000 0.33980228806556 26.982 > 77 78 Al 0.07479959509077 0.87500000000000 0.33980228806556 26.982 > 77 79 Al 0.07479959509077 0.37500000000000 0.83980228806556 26.982 > 77 80 Al 0.07479959509077 0.87500000000000 0.83980228806556 26.982 > 77 81 K 0.82799981262136 0.12500000000000 0.41762784262722 39.098 > 81 82 K 0.82799981262136 0.62500000000000 0.41762784262722 39.098 > 81 83 K 0.82799981262136 0.12500000000000 0.91762784262722 39.098 > 81 84 K 0.82799981262136 0.62500000000000 0.91762784262722 39.098 > 81 85 K 0.17200018737864 0.37500000000000 0.08237215737278 39.098 > 85 86 K 0.17200018737864 0.87500000000000 0.08237215737278 39.098 > 85 87 K 0.17200018737864 0.37500000000000 0.58237215737278 39.098 > 85 88 K 0.17200018737864 0.87500000000000 0.58237215737278 39.098 > 85 89 K 0.67200018737864 0.37500000000000 0.16762784262722 39.098 > 89 90 K 0.67200018737864 0.87500000000000 0.16762784262722 39.098 > 89 91 K 0.67200018737864 0.37500000000000 0.66762784262722 39.098 > 89 92 K 0.67200018737864 0.87500000000000 0.66762784262722 39.098 > 89 93 K 0.32799981262136 0.12500000000000 0.33237215737278 39.098 > 93 94 K 0.32799981262136 0.62500000000000 0.33237215737278 39.098 > 93 95 K 0.32799981262136 0.12500000000000 0.83237215737278 39.098 > 93 96 K 0.32799981262136 0.62500000000000 0.83237215737278 39.098 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0130835 0.0000000 0.0000000 0.0000000 3.0723762 0.0000000 0.0000000 0.0000000 3.0134704 -------------------------- Born effective charges -------------------------- 1 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 2 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 3 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 4 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 5 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 6 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 7 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 8 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 9 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 10 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 11 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 12 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 13 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 14 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 15 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 16 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 17 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 18 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 19 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 20 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 21 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 22 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 23 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 24 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:00:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:00:10]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.488638020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.051917829999999 Atomic positions (fractional): 1 H 0.91482718982286 0.48903410365372 0.18192204617390 1.008 2 H 0.08517281017714 0.98903410365372 0.81807795382610 1.008 3 H 0.58517281017714 0.51096589634628 0.68192204617390 1.008 4 H 0.41482718982286 0.01096589634628 0.31807795382610 1.008 5 H 0.08517281017714 0.51096589634628 0.81807795382610 1.008 6 H 0.91482718982286 0.01096589634628 0.18192204617390 1.008 7 H 0.41482718982286 0.48903410365372 0.31807795382610 1.008 8 H 0.58517281017714 0.98903410365372 0.68192204617390 1.008 9 H 0.72762383015998 0.75000000000000 0.95848590460430 1.008 10 H 0.27237616984002 0.25000000000000 0.04151409539570 1.008 11 H 0.77237616984002 0.25000000000000 0.45848590460430 1.008 12 H 0.22762383015998 0.75000000000000 0.54151409539570 1.008 13 H 0.08914708795116 0.25000000000000 0.43763149325051 1.008 14 H 0.91085291204884 0.75000000000000 0.56236850674949 1.008 15 H 0.41085291204884 0.75000000000000 0.93763149325051 1.008 16 H 0.58914708795116 0.25000000000000 0.06236850674949 1.008 17 Al 0.57479959509077 0.75000000000000 0.82039542386887 26.982 18 Al 0.42520040490923 0.25000000000000 0.17960457613113 26.982 19 Al 0.92520040490923 0.25000000000000 0.32039542386887 26.982 20 Al 0.07479959509077 0.75000000000000 0.67960457613113 26.982 21 K 0.82799981262136 0.25000000000000 0.83525568525444 39.098 22 K 0.17200018737864 0.75000000000000 0.16474431474556 39.098 23 K 0.67200018737864 0.75000000000000 0.33525568525444 39.098 24 K 0.32799981262136 0.25000000000000 0.66474431474556 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.600952119999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.977276040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.103835659999998 Atomic positions (fractional): 1 H 0.91482718982286 0.24451705182686 0.09096102308695 1.008 > 1 2 H 0.91482718982286 0.74451705182686 0.09096102308695 1.008 > 1 3 H 0.91482718982286 0.24451705182686 0.59096102308695 1.008 > 1 4 H 0.91482718982286 0.74451705182686 0.59096102308695 1.008 > 1 5 H 0.08517281017714 0.49451705182686 0.40903897691305 1.008 > 5 6 H 0.08517281017714 0.99451705182686 0.40903897691305 1.008 > 5 7 H 0.08517281017714 0.49451705182686 0.90903897691305 1.008 > 5 8 H 0.08517281017714 0.99451705182686 0.90903897691305 1.008 > 5 9 H 0.58517281017714 0.25548294817314 0.34096102308695 1.008 > 9 10 H 0.58517281017714 0.75548294817314 0.34096102308695 1.008 > 9 11 H 0.58517281017714 0.25548294817314 0.84096102308695 1.008 > 9 12 H 0.58517281017714 0.75548294817314 0.84096102308695 1.008 > 9 13 H 0.41482718982286 0.00548294817314 0.15903897691305 1.008 > 13 14 H 0.41482718982286 0.50548294817314 0.15903897691305 1.008 > 13 15 H 0.41482718982286 0.00548294817314 0.65903897691305 1.008 > 13 16 H 0.41482718982286 0.50548294817314 0.65903897691305 1.008 > 13 17 H 0.08517281017714 0.25548294817314 0.40903897691305 1.008 > 17 18 H 0.08517281017714 0.75548294817314 0.40903897691305 1.008 > 17 19 H 0.08517281017714 0.25548294817314 0.90903897691305 1.008 > 17 20 H 0.08517281017714 0.75548294817314 0.90903897691305 1.008 > 17 21 H 0.91482718982286 0.00548294817314 0.09096102308695 1.008 > 21 22 H 0.91482718982286 0.50548294817314 0.09096102308695 1.008 > 21 23 H 0.91482718982286 0.00548294817314 0.59096102308695 1.008 > 21 24 H 0.91482718982286 0.50548294817314 0.59096102308695 1.008 > 21 25 H 0.41482718982286 0.24451705182686 0.15903897691305 1.008 > 25 26 H 0.41482718982286 0.74451705182686 0.15903897691305 1.008 > 25 27 H 0.41482718982286 0.24451705182686 0.65903897691305 1.008 > 25 28 H 0.41482718982286 0.74451705182686 0.65903897691305 1.008 > 25 29 H 0.58517281017714 0.49451705182686 0.34096102308695 1.008 > 29 30 H 0.58517281017714 0.99451705182686 0.34096102308695 1.008 > 29 31 H 0.58517281017714 0.49451705182686 0.84096102308695 1.008 > 29 32 H 0.58517281017714 0.99451705182686 0.84096102308695 1.008 > 29 33 H 0.72762383015998 0.37500000000000 0.47924295230215 1.008 > 33 34 H 0.72762383015998 0.87500000000000 0.47924295230215 1.008 > 33 35 H 0.72762383015998 0.37500000000000 0.97924295230215 1.008 > 33 36 H 0.72762383015998 0.87500000000000 0.97924295230215 1.008 > 33 37 H 0.27237616984002 0.12500000000000 0.02075704769785 1.008 > 37 38 H 0.27237616984002 0.62500000000000 0.02075704769785 1.008 > 37 39 H 0.27237616984002 0.12500000000000 0.52075704769785 1.008 > 37 40 H 0.27237616984002 0.62500000000000 0.52075704769785 1.008 > 37 41 H 0.77237616984002 0.12500000000000 0.22924295230215 1.008 > 41 42 H 0.77237616984002 0.62500000000000 0.22924295230215 1.008 > 41 43 H 0.77237616984002 0.12500000000000 0.72924295230215 1.008 > 41 44 H 0.77237616984002 0.62500000000000 0.72924295230215 1.008 > 41 45 H 0.22762383015998 0.37500000000000 0.27075704769785 1.008 > 45 46 H 0.22762383015998 0.87500000000000 0.27075704769785 1.008 > 45 47 H 0.22762383015998 0.37500000000000 0.77075704769785 1.008 > 45 48 H 0.22762383015998 0.87500000000000 0.77075704769785 1.008 > 45 49 H 0.08914708795116 0.12500000000000 0.21881574662526 1.008 > 49 50 H 0.08914708795116 0.62500000000000 0.21881574662526 1.008 > 49 51 H 0.08914708795116 0.12500000000000 0.71881574662526 1.008 > 49 52 H 0.08914708795116 0.62500000000000 0.71881574662526 1.008 > 49 53 H 0.91085291204884 0.37500000000000 0.28118425337474 1.008 > 53 54 H 0.91085291204884 0.87500000000000 0.28118425337474 1.008 > 53 55 H 0.91085291204884 0.37500000000000 0.78118425337474 1.008 > 53 56 H 0.91085291204884 0.87500000000000 0.78118425337474 1.008 > 53 57 H 0.41085291204884 0.37500000000000 0.46881574662526 1.008 > 57 58 H 0.41085291204884 0.87500000000000 0.46881574662526 1.008 > 57 59 H 0.41085291204884 0.37500000000000 0.96881574662526 1.008 > 57 60 H 0.41085291204884 0.87500000000000 0.96881574662526 1.008 > 57 61 H 0.58914708795116 0.12500000000000 0.03118425337474 1.008 > 61 62 H 0.58914708795116 0.62500000000000 0.03118425337474 1.008 > 61 63 H 0.58914708795116 0.12500000000000 0.53118425337474 1.008 > 61 64 H 0.58914708795116 0.62500000000000 0.53118425337474 1.008 > 61 65 Al 0.57479959509077 0.37500000000000 0.41019771193444 26.982 > 65 66 Al 0.57479959509077 0.87500000000000 0.41019771193444 26.982 > 65 67 Al 0.57479959509077 0.37500000000000 0.91019771193444 26.982 > 65 68 Al 0.57479959509077 0.87500000000000 0.91019771193444 26.982 > 65 69 Al 0.42520040490923 0.12500000000000 0.08980228806556 26.982 > 69 70 Al 0.42520040490923 0.62500000000000 0.08980228806556 26.982 > 69 71 Al 0.42520040490923 0.12500000000000 0.58980228806556 26.982 > 69 72 Al 0.42520040490923 0.62500000000000 0.58980228806556 26.982 > 69 73 Al 0.92520040490923 0.12500000000000 0.16019771193444 26.982 > 73 74 Al 0.92520040490923 0.62500000000000 0.16019771193444 26.982 > 73 75 Al 0.92520040490923 0.12500000000000 0.66019771193444 26.982 > 73 76 Al 0.92520040490923 0.62500000000000 0.66019771193444 26.982 > 73 77 Al 0.07479959509077 0.37500000000000 0.33980228806556 26.982 > 77 78 Al 0.07479959509077 0.87500000000000 0.33980228806556 26.982 > 77 79 Al 0.07479959509077 0.37500000000000 0.83980228806556 26.982 > 77 80 Al 0.07479959509077 0.87500000000000 0.83980228806556 26.982 > 77 81 K 0.82799981262136 0.12500000000000 0.41762784262722 39.098 > 81 82 K 0.82799981262136 0.62500000000000 0.41762784262722 39.098 > 81 83 K 0.82799981262136 0.12500000000000 0.91762784262722 39.098 > 81 84 K 0.82799981262136 0.62500000000000 0.91762784262722 39.098 > 81 85 K 0.17200018737864 0.37500000000000 0.08237215737278 39.098 > 85 86 K 0.17200018737864 0.87500000000000 0.08237215737278 39.098 > 85 87 K 0.17200018737864 0.37500000000000 0.58237215737278 39.098 > 85 88 K 0.17200018737864 0.87500000000000 0.58237215737278 39.098 > 85 89 K 0.67200018737864 0.37500000000000 0.16762784262722 39.098 > 89 90 K 0.67200018737864 0.87500000000000 0.16762784262722 39.098 > 89 91 K 0.67200018737864 0.37500000000000 0.66762784262722 39.098 > 89 92 K 0.67200018737864 0.87500000000000 0.66762784262722 39.098 > 89 93 K 0.32799981262136 0.12500000000000 0.33237215737278 39.098 > 93 94 K 0.32799981262136 0.62500000000000 0.33237215737278 39.098 > 93 95 K 0.32799981262136 0.12500000000000 0.83237215737278 39.098 > 93 96 K 0.32799981262136 0.62500000000000 0.83237215737278 39.098 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0130835 0.0000000 0.0000000 0.0000000 3.0723762 0.0000000 0.0000000 0.0000000 3.0134704 -------------------------- Born effective charges -------------------------- 1 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 2 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 3 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 4 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 5 H -0.5586217 -0.0032771 -0.0290165 -0.0002676 -0.6825557 0.0929831 -0.0089679 0.0814038 -0.6277515 6 H -0.5586217 0.0032771 -0.0290165 0.0002676 -0.6825557 -0.0929831 -0.0089679 -0.0814038 -0.6277515 7 H -0.5586217 -0.0032771 0.0290165 -0.0002676 -0.6825557 -0.0929831 0.0089679 -0.0814038 -0.6277515 8 H -0.5586217 0.0032771 0.0290165 0.0002676 -0.6825557 0.0929831 0.0089679 0.0814038 -0.6277515 9 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 10 H -0.6563059 0.0000000 -0.0241275 0.0000000 -0.5857333 0.0000000 -0.0590661 0.0000000 -0.6101603 11 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 12 H -0.6563059 0.0000000 0.0241275 0.0000000 -0.5857333 0.0000000 0.0590661 0.0000000 -0.6101603 13 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 14 H -0.7281577 0.0000000 -0.1032759 0.0000000 -0.6189720 0.0000000 -0.0879903 0.0000000 -0.6154112 15 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 16 H -0.7281577 0.0000000 0.1032759 0.0000000 -0.6189720 0.0000000 0.0879903 0.0000000 -0.6154112 17 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 18 Al 1.3888837 0.0000000 -0.1041588 0.0000000 1.4334080 0.0000000 -0.0643902 0.0000000 1.3429061 19 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 20 Al 1.3888837 0.0000000 0.1041588 0.0000000 1.4334080 0.0000000 0.0643902 0.0000000 1.3429061 21 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 22 K 1.1128232 0.0000000 -0.0670776 0.0000000 1.1364087 0.0000000 -0.0823691 0.0000000 1.1381683 23 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 24 K 1.1128232 0.0000000 0.0670776 0.0000000 1.1364087 0.0000000 0.0823691 0.0000000 1.1381683 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) 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 ... [ 6 9 7 ] 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: 0.60, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.233 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 19.469 ( 0.000 0.000 0.000) 0.000 19.521 ( 0.000 0.000 0.000) 0.000 20.305 ( 0.000 0.000 0.000) 0.000 21.225 ( 0.000 0.000 0.000) 0.000 21.546 ( 0.000 0.000 0.000) 0.000 21.669 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 21.910 ( 0.000 0.000 0.000) 0.000 22.840 ( 0.000 0.000 0.000) 0.000 23.259 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 0.000) 0.000 23.373 ( 0.000 0.000 0.000) 0.000 23.527 ( 0.000 0.000 0.000) 0.000 23.586 ( 0.000 0.000 0.000) 0.000 23.732 ( 0.000 0.000 0.000) 0.000 23.748 ( 0.000 0.000 0.000) 0.000 24.350 ( 0.000 0.000 0.000) 0.000 25.219 ( 0.000 0.000 0.000) 0.000 25.877 ( 0.000 0.000 0.000) 0.000 50.509 ( 0.000 0.000 0.000) 0.000 50.528 ( 0.000 0.000 0.000) 0.000 50.657 ( 0.000 0.000 0.000) 0.000 50.723 ( 0.000 0.000 0.000) 0.000 50.817 ( 0.000 0.000 0.000) 0.000 50.821 ( 0.000 0.000 0.000) 0.000 51.286 ( 0.000 0.000 0.000) 0.000 51.533 ( 0.000 0.000 0.000) 0.000 51.591 ( 0.000 0.000 0.000) 0.000 51.934 ( 0.000 0.000 0.000) 0.000 51.974 ( 0.000 0.000 0.000) 0.000 52.102 ( 0.000 0.000 0.000) 0.000 52.779 ( 0.000 0.000 0.000) 0.000 53.098 ( 0.000 0.000 0.000) 0.000 53.178 ( 0.000 0.000 0.000) 0.000 53.586 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 26.095 0.000 0.000) 26.095 0.585 ( 29.325 0.000 0.000) 29.325 0.769 ( 37.875 0.000 0.000) 37.875 1.745 ( 7.156 0.000 0.000) 7.156 1.959 ( -4.850 0.000 0.000) 4.850 2.045 ( -7.598 0.000 0.000) 7.598 2.251 ( 2.318 0.000 0.000) 2.318 2.460 ( -1.231 0.000 0.000) 1.231 2.529 ( -8.549 0.000 0.000) 8.549 2.607 ( -4.706 0.000 0.000) 4.706 2.797 ( -0.607 0.000 0.000) 0.607 3.617 ( 2.326 0.000 0.000) 2.326 3.620 ( 0.227 0.000 0.000) 0.227 3.648 ( 0.354 0.000 0.000) 0.354 3.771 ( -9.687 0.000 0.000) 9.687 3.773 ( -0.014 0.000 0.000) 0.014 4.049 ( -1.559 0.000 0.000) 1.559 4.161 ( -3.926 0.000 0.000) 3.926 4.293 ( -6.485 0.000 0.000) 6.485 4.645 ( 1.231 0.000 0.000) 1.231 4.883 ( 13.308 0.000 0.000) 13.308 4.974 ( 0.890 0.000 0.000) 0.890 5.253 ( -1.819 0.000 0.000) 1.819 5.300 ( 1.140 0.000 0.000) 1.140 8.572 ( 10.684 0.000 0.000) 10.684 8.823 ( 4.722 0.000 0.000) 4.722 9.002 ( 0.264 0.000 0.000) 0.264 9.075 ( 15.660 0.000 0.000) 15.660 9.102 ( -1.827 0.000 0.000) 1.827 9.296 ( -2.023 0.000 0.000) 2.023 10.108 ( -12.523 0.000 0.000) 12.523 10.237 ( 7.152 0.000 0.000) 7.152 10.633 ( 2.859 0.000 0.000) 2.859 10.675 ( -9.912 0.000 0.000) 9.912 11.039 ( -6.166 0.000 0.000) 6.166 11.093 ( -3.695 0.000 0.000) 3.695 19.473 ( 0.438 0.000 0.000) 0.438 19.518 ( -0.249 0.000 0.000) 0.249 20.342 ( 4.000 0.000 0.000) 4.000 21.279 ( 5.314 0.000 0.000) 5.314 21.364 ( -16.055 0.000 0.000) 16.055 21.677 ( 0.787 0.000 0.000) 0.787 21.727 ( 0.349 0.000 0.000) 0.349 21.882 ( -2.714 0.000 0.000) 2.714 23.215 ( -2.574 0.000 0.000) 2.574 23.304 ( -1.811 0.000 0.000) 1.811 23.326 ( 0.471 0.000 0.000) 0.471 23.374 ( 0.027 0.000 0.000) 0.027 23.546 ( 1.930 0.000 0.000) 1.930 23.688 ( 8.454 0.000 0.000) 8.454 23.724 ( -0.809 0.000 0.000) 0.809 23.865 ( 12.973 0.000 0.000) 12.973 24.307 ( -4.322 0.000 0.000) 4.322 25.131 ( -8.700 0.000 0.000) 8.700 25.908 ( 2.795 0.000 0.000) 2.795 26.086 ( -0.772 0.000 0.000) 0.772 50.510 ( 0.133 0.000 0.000) 0.133 50.527 ( -0.130 0.000 0.000) 0.130 50.661 ( 0.423 0.000 0.000) 0.423 50.718 ( -0.459 0.000 0.000) 0.459 50.818 ( 0.022 0.000 0.000) 0.022 50.821 ( -0.028 0.000 0.000) 0.028 51.337 ( 1.278 0.000 0.000) 1.278 51.568 ( -2.291 0.000 0.000) 2.291 51.928 ( -0.549 0.000 0.000) 0.549 51.940 ( -2.333 0.000 0.000) 2.333 52.146 ( 3.408 0.000 0.000) 3.408 52.250 ( 0.116 0.000 0.000) 0.116 52.800 ( 2.116 0.000 0.000) 2.116 53.075 ( -2.343 0.000 0.000) 2.343 53.594 ( 0.784 0.000 0.000) 0.784 53.658 ( -0.308 0.000 0.000) 0.308 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 24.046 0.000 0.000) 24.046 1.119 ( 25.261 0.000 0.000) 25.261 1.424 ( 27.938 0.000 0.000) 27.938 1.795 ( -11.402 0.000 0.000) 11.402 1.850 ( -12.511 0.000 0.000) 12.511 1.932 ( 11.500 0.000 0.000) 11.500 2.250 ( -9.722 0.000 0.000) 9.722 2.370 ( -0.240 0.000 0.000) 0.240 2.372 ( -8.088 0.000 0.000) 8.088 2.538 ( -3.070 0.000 0.000) 3.070 2.822 ( 6.053 0.000 0.000) 6.053 3.494 ( -19.474 0.000 0.000) 19.474 3.629 ( 0.766 0.000 0.000) 0.766 3.663 ( 0.332 0.000 0.000) 0.332 3.676 ( 3.676 0.000 0.000) 3.676 3.795 ( 3.353 0.000 0.000) 3.353 3.882 ( -8.564 0.000 0.000) 8.564 4.054 ( -6.902 0.000 0.000) 6.902 4.375 ( 8.592 0.000 0.000) 8.592 4.636 ( -2.800 0.000 0.000) 2.800 5.019 ( 3.789 0.000 0.000) 3.789 5.101 ( 8.638 0.000 0.000) 8.638 5.203 ( -2.895 0.000 0.000) 2.895 5.308 ( -0.901 0.000 0.000) 0.901 8.878 ( 20.259 0.000 0.000) 20.259 8.934 ( 5.595 0.000 0.000) 5.595 9.024 ( 2.782 0.000 0.000) 2.782 9.058 ( -2.588 0.000 0.000) 2.588 9.233 ( -4.548 0.000 0.000) 4.548 9.474 ( 24.163 0.000 0.000) 24.163 9.772 ( -21.315 0.000 0.000) 21.315 10.391 ( -19.015 0.000 0.000) 19.015 10.424 ( 11.550 0.000 0.000) 11.550 10.715 ( 5.496 0.000 0.000) 5.496 10.880 ( -10.005 0.000 0.000) 10.005 10.985 ( -7.011 0.000 0.000) 7.011 19.485 ( 0.703 0.000 0.000) 0.703 19.511 ( -0.512 0.000 0.000) 0.512 20.468 ( 9.208 0.000 0.000) 9.208 21.022 ( -17.985 0.000 0.000) 17.985 21.413 ( 7.914 0.000 0.000) 7.914 21.684 ( -4.503 0.000 0.000) 4.503 21.702 ( 1.845 0.000 0.000) 1.845 21.817 ( -3.695 0.000 0.000) 3.695 23.190 ( 0.040 0.000 0.000) 0.040 23.259 ( -2.637 0.000 0.000) 2.637 23.339 ( 0.808 0.000 0.000) 0.808 23.370 ( -0.527 0.000 0.000) 0.527 23.596 ( 3.053 0.000 0.000) 3.053 23.699 ( -1.792 0.000 0.000) 1.792 23.849 ( 8.673 0.000 0.000) 8.673 24.189 ( -7.610 0.000 0.000) 7.610 24.201 ( 19.613 0.000 0.000) 19.613 24.901 ( -14.624 0.000 0.000) 14.624 25.969 ( 3.154 0.000 0.000) 3.154 26.063 ( -1.589 0.000 0.000) 1.589 50.514 ( 0.229 0.000 0.000) 0.229 50.523 ( -0.226 0.000 0.000) 0.226 50.673 ( 0.754 0.000 0.000) 0.754 50.706 ( -0.792 0.000 0.000) 0.792 50.818 ( 0.041 0.000 0.000) 0.041 50.820 ( -0.047 0.000 0.000) 0.047 51.375 ( 2.565 0.000 0.000) 2.565 51.508 ( -3.687 0.000 0.000) 3.687 51.907 ( -0.884 0.000 0.000) 0.884 51.915 ( -0.752 0.000 0.000) 0.752 52.207 ( 2.526 0.000 0.000) 2.526 52.251 ( -0.122 0.000 0.000) 0.122 52.856 ( 3.610 0.000 0.000) 3.610 53.013 ( -3.819 0.000 0.000) 3.819 53.613 ( 1.084 0.000 0.000) 1.084 53.649 ( -0.644 0.000 0.000) 0.644 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -19.378 0.000 0.000) 19.378 1.430 ( 19.378 0.000 0.000) 19.378 1.549 ( -18.864 0.000 0.000) 18.864 1.549 ( 18.864 0.000 0.000) 18.864 1.940 ( -19.467 0.000 0.000) 19.467 1.940 ( 19.467 0.000 0.000) 19.467 2.167 ( -12.148 0.000 0.000) 12.148 2.167 ( 12.148 0.000 0.000) 12.148 2.452 ( -5.421 0.000 0.000) 5.421 2.452 ( 5.421 0.000 0.000) 5.421 3.087 ( -19.825 0.000 0.000) 19.825 3.087 ( 19.825 0.000 0.000) 19.825 3.649 ( -1.243 0.000 0.000) 1.243 3.649 ( 1.243 0.000 0.000) 1.243 3.759 ( -4.929 0.000 0.000) 4.929 3.759 ( 4.929 0.000 0.000) 4.929 3.909 ( -7.504 0.000 0.000) 7.504 3.909 ( 7.504 0.000 0.000) 7.504 4.535 ( -7.242 0.000 0.000) 7.242 4.535 ( 7.242 0.000 0.000) 7.242 5.106 ( -4.629 0.000 0.000) 4.629 5.106 ( 4.629 0.000 0.000) 4.629 5.253 ( -4.775 0.000 0.000) 4.775 5.253 ( 4.775 0.000 0.000) 4.775 9.007 ( -2.654 0.000 0.000) 2.654 9.007 ( 2.654 0.000 0.000) 2.654 9.124 ( -6.345 0.000 0.000) 6.345 9.124 ( 6.345 0.000 0.000) 6.345 9.320 ( -24.248 0.000 0.000) 24.248 9.320 ( 24.248 0.000 0.000) 24.248 9.960 ( -24.721 0.000 0.000) 24.721 9.960 ( 24.721 0.000 0.000) 24.721 10.661 ( -12.275 0.000 0.000) 12.275 10.661 ( 12.275 0.000 0.000) 12.275 10.841 ( -7.306 0.000 0.000) 7.306 10.841 ( 7.306 0.000 0.000) 7.306 19.499 ( -0.709 0.000 0.000) 0.709 19.499 ( 0.709 0.000 0.000) 0.709 20.700 ( -14.654 0.000 0.000) 14.654 20.700 ( 14.654 0.000 0.000) 14.654 21.566 ( -7.392 0.000 0.000) 7.392 21.566 ( 7.392 0.000 0.000) 7.392 21.749 ( -3.060 0.000 0.000) 3.060 21.749 ( 3.060 0.000 0.000) 3.060 23.211 ( -1.997 0.000 0.000) 1.997 23.211 ( 1.997 0.000 0.000) 1.997 23.356 ( -0.866 0.000 0.000) 0.866 23.356 ( 0.866 0.000 0.000) 0.866 23.655 ( -2.769 0.000 0.000) 2.769 23.655 ( 2.769 0.000 0.000) 2.769 24.024 ( -9.107 0.000 0.000) 9.107 24.024 ( 9.107 0.000 0.000) 9.107 24.577 ( -18.505 0.000 0.000) 18.505 24.577 ( 18.505 0.000 0.000) 18.505 26.024 ( -2.454 0.000 0.000) 2.454 26.024 ( 2.454 0.000 0.000) 2.454 50.519 ( -0.263 0.000 0.000) 0.263 50.519 ( 0.263 0.000 0.000) 0.263 50.689 ( -0.897 0.000 0.000) 0.897 50.689 ( 0.897 0.000 0.000) 0.897 50.819 ( -0.050 0.000 0.000) 0.050 50.819 ( 0.050 0.000 0.000) 0.050 51.435 ( -3.587 0.000 0.000) 3.587 51.435 ( 3.587 0.000 0.000) 3.587 51.903 ( -0.321 0.000 0.000) 0.321 51.903 ( 0.321 0.000 0.000) 0.321 52.241 ( -1.064 0.000 0.000) 1.064 52.241 ( 1.064 0.000 0.000) 1.064 52.934 ( -4.214 0.000 0.000) 4.214 52.934 ( 4.214 0.000 0.000) 4.214 53.633 ( -0.957 0.000 0.000) 0.957 53.633 ( 0.957 0.000 0.000) 0.957 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.000 20.707 0.000) 20.707 0.610 ( 0.000 30.460 0.000) 30.460 0.856 ( 0.000 41.250 0.000) 41.250 1.805 ( 0.000 11.563 0.000) 11.563 1.904 ( 0.000 -16.409 0.000) 16.409 2.043 ( 0.000 3.944 0.000) 3.944 2.138 ( 0.000 -8.241 0.000) 8.241 2.448 ( 0.000 -1.710 0.000) 1.710 2.557 ( 0.000 -1.583 0.000) 1.583 2.775 ( 0.000 10.004 0.000) 10.004 2.795 ( 0.000 -0.497 0.000) 0.497 3.097 ( 0.000 1.765 0.000) 1.765 3.465 ( 0.000 -12.427 0.000) 12.427 3.569 ( 0.000 -16.175 0.000) 16.175 3.933 ( 0.000 -5.005 0.000) 5.005 4.075 ( 0.000 11.217 0.000) 11.217 4.173 ( 0.000 -2.698 0.000) 2.698 4.501 ( 0.000 -11.654 0.000) 11.654 4.625 ( 0.000 8.517 0.000) 8.517 4.679 ( 0.000 3.628 0.000) 3.628 4.836 ( 0.000 -1.702 0.000) 1.702 4.917 ( 0.000 -4.874 0.000) 4.874 5.058 ( 0.000 -3.205 0.000) 3.205 5.255 ( 0.000 -1.482 0.000) 1.482 8.395 ( 0.000 -4.355 0.000) 4.355 8.795 ( 0.000 -9.211 0.000) 9.211 8.823 ( 0.000 4.488 0.000) 4.488 9.028 ( 0.000 2.526 0.000) 2.526 9.229 ( 0.000 10.010 0.000) 10.010 9.641 ( 0.000 14.755 0.000) 14.755 10.135 ( 0.000 -7.188 0.000) 7.188 10.165 ( 0.000 -0.150 0.000) 0.150 10.714 ( 0.000 8.150 0.000) 8.150 10.766 ( 0.000 -0.250 0.000) 0.250 11.155 ( 0.000 -4.051 0.000) 4.051 11.162 ( 0.000 3.573 0.000) 3.573 19.521 ( 0.000 4.797 0.000) 4.797 20.272 ( 0.000 -3.082 0.000) 3.082 21.280 ( 0.000 5.363 0.000) 5.363 21.437 ( 0.000 -8.077 0.000) 8.077 21.643 ( 0.000 -4.135 0.000) 4.135 21.706 ( 0.000 3.576 0.000) 3.576 22.044 ( 0.000 10.565 0.000) 10.565 22.749 ( 0.000 -0.575 0.000) 0.575 22.855 ( 0.000 1.507 0.000) 1.507 23.267 ( 0.000 0.745 0.000) 0.745 23.315 ( 0.000 0.365 0.000) 0.365 23.378 ( 0.000 4.373 0.000) 4.373 23.514 ( 0.000 -1.137 0.000) 1.137 23.597 ( 0.000 0.970 0.000) 0.970 23.702 ( 0.000 -3.463 0.000) 3.463 23.745 ( 0.000 1.228 0.000) 1.228 23.876 ( 0.000 1.528 0.000) 1.528 24.313 ( 0.000 -3.648 0.000) 3.648 25.178 ( 0.000 -3.878 0.000) 3.878 25.811 ( 0.000 -6.412 0.000) 6.412 50.537 ( 0.000 0.826 0.000) 0.826 50.651 ( 0.000 -0.482 0.000) 0.482 50.724 ( 0.000 0.097 0.000) 0.097 50.804 ( 0.000 -1.220 0.000) 1.220 50.855 ( 0.000 3.193 0.000) 3.193 51.317 ( 0.000 2.853 0.000) 2.853 51.544 ( 0.000 1.085 0.000) 1.085 51.601 ( 0.000 0.868 0.000) 0.868 51.769 ( 0.000 -0.675 0.000) 0.675 51.918 ( 0.000 -1.489 0.000) 1.489 51.945 ( 0.000 -2.649 0.000) 2.649 52.094 ( 0.000 -0.762 0.000) 0.762 52.792 ( 0.000 1.282 0.000) 1.282 53.108 ( 0.000 0.937 0.000) 0.937 53.166 ( 0.000 -1.110 0.000) 1.110 53.565 ( 0.000 -2.008 0.000) 2.008 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 6.968 14.133 0.000) 15.757 0.651 ( 19.130 12.008 0.000) 22.586 1.345 ( 30.120 33.790 0.000) 45.265 1.838 ( -6.574 -15.474 0.000) 16.812 1.885 ( 5.863 10.961 0.000) 12.431 2.003 ( -4.049 4.387 0.000) 5.969 2.171 ( 2.948 -7.146 0.000) 7.730 2.427 ( -2.596 -1.353 0.000) 2.927 2.551 ( -1.704 -3.623 0.000) 4.003 2.719 ( -5.559 10.977 0.000) 12.305 2.801 ( 0.124 0.284 0.000) 0.310 3.205 ( 9.474 -5.425 0.000) 10.917 3.447 ( -0.895 -13.917 0.000) 13.946 3.557 ( -1.833 -14.058 0.000) 14.177 3.940 ( 0.185 1.657 0.000) 1.667 4.035 ( -5.908 4.696 0.000) 7.547 4.115 ( -6.194 -4.706 0.000) 7.779 4.286 ( -16.650 8.874 0.000) 18.867 4.426 ( -6.643 9.387 0.000) 11.500 4.695 ( -3.544 6.302 0.000) 7.230 4.900 ( 11.195 1.877 0.000) 11.351 4.932 ( 1.816 -3.941 0.000) 4.339 5.154 ( 4.226 -11.069 0.000) 11.848 5.237 ( -1.841 -1.501 0.000) 2.375 8.516 ( 11.717 -4.421 0.000) 12.524 8.867 ( 4.289 4.040 0.000) 5.892 8.931 ( 12.761 -9.941 0.000) 16.176 9.043 ( 1.562 3.838 0.000) 4.144 9.209 ( -1.954 9.823 0.000) 10.015 9.565 ( -4.046 18.098 0.000) 18.545 10.024 ( -11.250 -6.581 0.000) 13.034 10.217 ( 4.523 -2.104 0.000) 4.989 10.685 ( -7.271 1.602 0.000) 7.445 10.731 ( 1.335 7.370 0.000) 7.490 11.049 ( -7.719 -1.005 0.000) 7.785 11.137 ( -3.621 3.412 0.000) 4.975 19.530 ( 0.989 5.213 0.000) 5.306 20.307 ( 3.766 -3.280 0.000) 4.994 20.520 ( -61.991 50.084 0.000) 79.695 21.280 ( -14.719 -6.933 0.000) 16.270 21.332 ( 5.177 5.225 0.000) 7.355 21.717 ( 1.182 3.911 0.000) 4.086 21.795 ( -3.060 8.997 0.000) 9.503 22.018 ( -3.989 11.147 0.000) 11.839 23.225 ( -2.430 0.882 0.000) 2.585 23.302 ( -1.384 0.300 0.000) 1.416 23.354 ( 2.196 -1.768 0.000) 2.819 23.376 ( -0.114 4.306 0.000) 4.307 23.542 ( 2.518 -0.345 0.000) 2.542 23.687 ( 7.927 -0.040 0.000) 7.927 23.738 ( -0.816 1.228 0.000) 1.474 23.845 ( 12.755 -2.081 0.000) 12.924 24.273 ( -3.972 -3.306 0.000) 5.167 25.092 ( -8.484 -3.638 0.000) 9.231 25.210 ( 50.405 -50.812 0.000) 71.572 25.831 ( 1.695 -7.427 0.000) 7.618 50.540 ( 0.264 1.145 0.000) 1.175 50.657 ( 0.601 -0.326 0.000) 0.684 50.706 ( -2.434 1.036 0.000) 2.645 50.781 ( -3.588 1.357 0.000) 3.836 50.852 ( -0.249 3.019 0.000) 3.029 50.927 ( -15.071 17.983 0.000) 23.463 51.368 ( 0.614 2.776 0.000) 2.844 51.578 ( -2.328 0.808 0.000) 2.464 51.914 ( -0.373 -1.385 0.000) 1.434 51.920 ( -1.769 -1.831 0.000) 2.546 52.131 ( 3.005 -1.404 0.000) 3.317 52.140 ( 8.207 -8.164 0.000) 11.576 52.811 ( 2.049 1.183 0.000) 2.366 53.084 ( -2.325 0.957 0.000) 2.515 53.396 ( 12.085 -13.372 0.000) 18.024 53.569 ( 0.366 -2.374 0.000) 2.402 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 24.854 -12.793 0.000) 27.953 1.052 ( 20.586 4.558 0.000) 21.085 1.652 ( -12.572 -13.983 0.000) 18.804 1.814 ( -11.913 4.590 0.000) 12.767 1.861 ( 20.116 24.856 0.000) 31.976 2.063 ( 10.372 10.865 0.000) 15.021 2.222 ( 0.223 -2.374 0.000) 2.384 2.359 ( -2.080 -0.559 0.000) 2.154 2.507 ( -3.203 -2.905 0.000) 4.324 2.566 ( -10.265 12.502 0.000) 16.176 2.848 ( 7.628 2.609 0.000) 8.062 3.382 ( 7.792 -8.812 0.000) 11.763 3.412 ( -7.797 -4.797 0.000) 9.154 3.504 ( -0.518 -16.584 0.000) 16.592 3.834 ( -9.148 5.576 0.000) 10.714 3.943 ( -9.461 -3.810 0.000) 10.199 3.953 ( 0.099 3.949 0.000) 3.951 4.069 ( -6.955 11.506 0.000) 13.445 4.431 ( 4.910 4.234 0.000) 6.483 4.640 ( -3.577 0.446 0.000) 3.605 4.994 ( 4.446 -2.270 0.000) 4.992 5.078 ( 6.877 -1.699 0.000) 7.084 5.185 ( -3.248 -1.634 0.000) 3.635 5.206 ( 1.076 -8.938 0.000) 9.002 8.829 ( 19.851 -4.030 0.000) 20.256 8.972 ( 6.021 3.586 0.000) 7.008 9.088 ( 3.134 5.913 0.000) 6.693 9.157 ( -2.488 8.813 0.000) 9.157 9.172 ( 6.506 -5.697 0.000) 8.648 9.595 ( 10.344 11.148 0.000) 15.207 9.713 ( -20.083 -4.984 0.000) 20.692 10.248 ( -7.064 -7.845 0.000) 10.557 10.553 ( -0.429 6.572 0.000) 6.586 10.790 ( 4.572 6.476 0.000) 7.927 10.880 ( -9.652 -0.386 0.000) 9.660 11.035 ( -6.524 4.372 0.000) 7.854 19.563 ( 2.578 7.053 0.000) 7.509 19.848 ( -17.353 26.010 0.000) 31.267 20.427 ( 8.740 -3.884 0.000) 9.564 20.957 ( -17.238 -5.757 0.000) 18.174 21.463 ( 7.755 4.988 0.000) 9.220 21.728 ( -4.651 5.438 0.000) 7.156 21.754 ( 2.705 4.945 0.000) 5.636 21.924 ( -5.405 9.041 0.000) 10.534 23.201 ( -0.011 0.950 0.000) 0.950 23.264 ( -2.355 0.526 0.000) 2.413 23.374 ( 0.465 0.568 0.000) 0.735 23.376 ( 0.112 3.578 0.000) 3.580 23.602 ( 3.410 0.541 0.000) 3.453 23.712 ( -1.848 1.186 0.000) 2.196 23.843 ( 8.396 -0.603 0.000) 8.418 24.164 ( -7.053 -2.412 0.000) 7.454 24.175 ( 19.296 -2.546 0.000) 19.463 24.866 ( -14.432 -3.263 0.000) 14.796 25.726 ( 12.021 -28.120 0.000) 30.582 25.859 ( 0.851 -10.351 0.000) 10.386 50.548 ( 0.660 2.139 0.000) 2.238 50.619 ( -4.117 6.538 0.000) 7.727 50.673 ( 1.020 0.073 0.000) 1.023 50.721 ( -1.604 1.755 0.000) 2.377 50.842 ( -0.502 3.580 0.000) 3.615 50.846 ( -0.334 2.633 0.000) 2.654 51.396 ( 2.170 1.932 0.000) 2.905 51.518 ( -3.578 0.861 0.000) 3.681 51.896 ( -0.611 -1.050 0.000) 1.215 51.904 ( -0.584 -1.026 0.000) 1.181 52.186 ( 2.308 -1.967 0.000) 3.032 52.212 ( 1.259 -3.656 0.000) 3.867 52.867 ( 3.580 1.079 0.000) 3.739 53.023 ( -3.801 0.995 0.000) 3.929 53.534 ( 3.561 -9.247 0.000) 9.909 53.576 ( 0.182 -3.492 0.000) 3.497 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -14.415 -14.695 0.000) 20.585 1.236 ( 14.415 -14.695 0.000) 20.585 1.530 ( -12.464 2.320 0.000) 12.678 1.530 ( 12.464 2.320 0.000) 12.678 2.121 ( -8.772 9.859 0.000) 13.197 2.121 ( 8.772 9.859 0.000) 13.197 2.324 ( -13.925 14.254 0.000) 19.927 2.324 ( 13.925 14.254 0.000) 19.927 2.416 ( -5.171 -3.542 0.000) 6.268 2.416 ( 5.171 -3.542 0.000) 6.268 3.121 ( -18.109 3.931 0.000) 18.531 3.121 ( 18.109 3.931 0.000) 18.531 3.492 ( -3.199 -10.926 0.000) 11.385 3.492 ( 3.199 -10.926 0.000) 11.385 3.795 ( -4.781 -5.157 0.000) 7.033 3.795 ( 4.781 -5.157 0.000) 7.033 3.977 ( -2.668 9.756 0.000) 10.114 3.977 ( 2.668 9.756 0.000) 10.114 4.545 ( -5.951 0.338 0.000) 5.961 4.545 ( 5.951 0.338 0.000) 5.961 5.088 ( -4.637 -1.741 0.000) 4.953 5.088 ( 4.637 -1.741 0.000) 4.953 5.190 ( -2.655 -5.402 0.000) 6.019 5.190 ( 2.655 -5.402 0.000) 6.019 9.074 ( -3.738 5.101 0.000) 6.324 9.074 ( 3.738 5.101 0.000) 6.324 9.153 ( -1.476 3.111 0.000) 3.444 9.153 ( 1.476 3.111 0.000) 3.444 9.292 ( -20.450 -2.114 0.000) 20.559 9.292 ( 20.450 -2.114 0.000) 20.559 9.936 ( -20.541 -1.649 0.000) 20.607 9.936 ( 20.541 -1.649 0.000) 20.607 10.684 ( -10.059 2.007 0.000) 10.257 10.684 ( 10.059 2.007 0.000) 10.257 10.902 ( -6.693 5.351 0.000) 8.569 10.902 ( 6.693 5.351 0.000) 8.569 19.642 ( -6.167 12.372 0.000) 13.824 19.642 ( 6.167 12.372 0.000) 13.824 20.648 ( -14.038 -4.774 0.000) 14.828 20.648 ( 14.038 -4.774 0.000) 14.828 21.612 ( -7.184 4.903 0.000) 8.698 21.612 ( 7.184 4.903 0.000) 8.698 21.824 ( -4.529 6.753 0.000) 8.131 21.824 ( 4.529 6.753 0.000) 8.131 23.221 ( -1.852 0.803 0.000) 2.019 23.221 ( 1.852 0.803 0.000) 2.019 23.378 ( -0.001 2.254 0.000) 2.254 23.378 ( 0.001 2.254 0.000) 2.254 23.665 ( -2.934 1.004 0.000) 3.101 23.665 ( 2.934 1.004 0.000) 3.101 24.010 ( -8.597 -1.351 0.000) 8.702 24.010 ( 8.597 -1.351 0.000) 8.702 24.546 ( -18.307 -2.952 0.000) 18.543 24.546 ( 18.307 -2.952 0.000) 18.543 25.848 ( -2.489 -16.045 0.000) 16.237 25.848 ( 2.489 -16.045 0.000) 16.237 50.568 ( -1.556 3.974 0.000) 4.268 50.568 ( 1.556 3.974 0.000) 4.268 50.695 ( -1.224 0.625 0.000) 1.374 50.695 ( 1.224 0.625 0.000) 1.374 50.841 ( -0.183 2.442 0.000) 2.449 50.841 ( 0.183 2.442 0.000) 2.449 51.450 ( -3.294 1.265 0.000) 3.528 51.450 ( 3.294 1.265 0.000) 3.528 51.894 ( -0.320 -0.829 0.000) 0.889 51.894 ( 0.320 -0.829 0.000) 0.889 52.216 ( -0.718 -2.436 0.000) 2.540 52.216 ( 0.718 -2.436 0.000) 2.540 52.944 ( -4.196 1.029 0.000) 4.320 52.944 ( 4.196 1.029 0.000) 4.320 53.571 ( -0.804 -5.560 0.000) 5.618 53.571 ( 0.804 -5.560 0.000) 5.618 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 19.692 0.000) 19.692 1.233 ( 0.000 30.908 0.000) 30.908 1.580 ( 0.000 -14.236 0.000) 14.236 1.646 ( 0.000 35.886 0.000) 35.886 1.919 ( 0.000 -12.713 0.000) 12.713 2.061 ( 0.000 12.094 0.000) 12.094 2.155 ( 0.000 7.312 0.000) 7.312 2.371 ( 0.000 -6.107 0.000) 6.107 2.521 ( 0.000 -1.792 0.000) 1.792 2.769 ( 0.000 -2.390 0.000) 2.390 2.876 ( 0.000 -2.593 0.000) 2.593 3.191 ( 0.000 8.209 0.000) 8.209 3.201 ( 0.000 -19.209 0.000) 19.209 3.269 ( 0.000 -4.291 0.000) 4.291 3.783 ( 0.000 -8.716 0.000) 8.716 4.090 ( 0.000 -5.530 0.000) 5.530 4.189 ( 0.000 -18.503 0.000) 18.503 4.302 ( 0.000 10.945 0.000) 10.945 4.781 ( 0.000 6.199 0.000) 6.199 4.784 ( 0.000 -7.929 0.000) 7.929 4.785 ( 0.000 -3.275 0.000) 3.275 4.788 ( 0.000 6.377 0.000) 6.377 4.943 ( 0.000 -8.132 0.000) 8.132 5.218 ( 0.000 -1.903 0.000) 1.903 8.296 ( 0.000 -4.734 0.000) 4.734 8.604 ( 0.000 -9.139 0.000) 9.139 8.939 ( 0.000 6.468 0.000) 6.468 9.092 ( 0.000 3.508 0.000) 3.508 9.492 ( 0.000 15.045 0.000) 15.045 9.978 ( 0.000 17.247 0.000) 17.247 10.004 ( 0.000 -5.135 0.000) 5.135 10.149 ( 0.000 -1.730 0.000) 1.730 10.774 ( 0.000 1.392 0.000) 1.392 10.870 ( 0.000 6.497 0.000) 6.497 11.043 ( 0.000 -6.532 0.000) 6.532 11.237 ( 0.000 2.994 0.000) 2.994 19.640 ( 0.000 6.432 0.000) 6.432 20.187 ( 0.000 -5.052 0.000) 5.052 21.282 ( 0.000 -6.605 0.000) 6.605 21.437 ( 0.000 9.949 0.000) 9.949 21.528 ( 0.000 -6.874 0.000) 6.874 21.807 ( 0.000 6.044 0.000) 6.044 22.277 ( 0.000 11.713 0.000) 11.713 22.735 ( 0.000 -0.720 0.000) 0.720 22.904 ( 0.000 3.530 0.000) 3.530 23.286 ( 0.000 1.072 0.000) 1.072 23.331 ( 0.000 1.166 0.000) 1.166 23.486 ( 0.000 -1.556 0.000) 1.556 23.497 ( 0.000 7.180 0.000) 7.180 23.622 ( 0.000 1.408 0.000) 1.408 23.627 ( 0.000 -3.939 0.000) 3.939 23.771 ( 0.000 0.867 0.000) 0.867 23.886 ( 0.000 -0.798 0.000) 0.798 24.209 ( 0.000 -6.222 0.000) 6.222 25.078 ( 0.000 -5.473 0.000) 5.473 25.630 ( 0.000 -11.017 0.000) 11.017 50.558 ( 0.000 1.182 0.000) 1.182 50.641 ( 0.000 -0.531 0.000) 0.531 50.727 ( 0.000 0.149 0.000) 0.149 50.776 ( 0.000 -1.358 0.000) 1.358 50.944 ( 0.000 5.531 0.000) 5.531 51.392 ( 0.000 4.292 0.000) 4.292 51.576 ( 0.000 1.998 0.000) 1.998 51.609 ( 0.000 -0.878 0.000) 0.878 51.748 ( 0.000 -1.447 0.000) 1.447 51.876 ( 0.000 -2.665 0.000) 2.665 51.886 ( 0.000 -2.371 0.000) 2.371 52.071 ( 0.000 -1.468 0.000) 1.468 52.829 ( 0.000 2.374 0.000) 2.374 53.134 ( 0.000 -2.082 0.000) 2.082 53.137 ( 0.000 1.963 0.000) 1.963 53.508 ( 0.000 -3.499 0.000) 3.499 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.984 15.163 0.000) 18.154 0.948 ( -15.560 30.717 0.000) 34.433 1.539 ( -4.226 -12.458 0.000) 13.155 1.991 ( 6.681 -10.185 0.000) 12.181 1.998 ( 19.633 25.781 0.000) 32.406 2.109 ( -0.286 13.397 0.000) 13.400 2.152 ( 5.766 10.497 0.000) 11.977 2.366 ( -0.767 -5.075 0.000) 5.133 2.477 ( -2.833 -3.590 0.000) 4.573 2.801 ( 2.736 -0.473 0.000) 2.777 2.852 ( -2.306 -0.500 0.000) 2.360 3.108 ( -4.957 -16.576 0.000) 17.301 3.203 ( 1.817 4.325 0.000) 4.691 3.344 ( 3.679 -6.502 0.000) 7.471 3.809 ( 2.191 -9.454 0.000) 9.705 3.943 ( -10.848 -12.788 0.000) 16.769 4.236 ( 1.452 -7.102 0.000) 7.249 4.246 ( -6.154 11.525 0.000) 13.065 4.599 ( -7.742 7.429 0.000) 10.730 4.757 ( -4.508 -3.506 0.000) 5.711 4.842 ( 4.361 -3.380 0.000) 5.517 4.927 ( 1.716 -10.496 0.000) 10.636 4.956 ( 7.228 3.193 0.000) 7.902 5.200 ( -1.918 -1.958 0.000) 2.741 8.421 ( 12.376 -4.402 0.000) 13.135 8.732 ( 12.438 -9.325 0.000) 15.546 8.972 ( 3.449 5.974 0.000) 6.898 9.139 ( 4.333 5.041 0.000) 6.648 9.466 ( -2.585 14.668 0.000) 14.894 9.900 ( -10.444 -4.832 0.000) 11.507 9.929 ( -4.300 17.223 0.000) 17.751 10.152 ( -0.364 -4.181 0.000) 4.197 10.733 ( -3.625 3.338 0.000) 4.928 10.882 ( 1.366 6.521 0.000) 6.663 10.984 ( -5.393 -4.641 0.000) 7.115 11.211 ( -2.868 3.094 0.000) 4.219 19.659 ( 2.010 6.832 0.000) 7.122 20.218 ( 3.295 -5.270 0.000) 6.215 21.029 ( -42.703 7.300 0.000) 43.322 21.134 ( -14.655 -6.561 0.000) 16.056 21.486 ( 4.860 9.725 0.000) 10.872 21.826 ( 1.959 6.406 0.000) 6.698 22.080 ( -12.881 15.806 0.000) 20.390 22.279 ( -7.515 13.663 0.000) 15.594 23.232 ( -0.472 -0.826 0.000) 0.951 23.317 ( -1.395 1.153 0.000) 1.810 23.328 ( 5.756 0.019 0.000) 5.757 23.492 ( -0.496 6.975 0.000) 6.992 23.530 ( 3.881 -0.914 0.000) 3.987 23.690 ( 6.719 0.436 0.000) 6.733 23.764 ( -0.803 0.899 0.000) 1.206 23.776 ( 13.032 -4.707 0.000) 13.856 24.180 ( -2.959 -5.571 0.000) 6.308 24.480 ( 42.912 -23.591 0.000) 48.969 24.998 ( -7.986 -5.155 0.000) 9.505 25.624 ( -0.865 -12.421 0.000) 12.451 50.567 ( 0.905 1.432 0.000) 1.694 50.650 ( 0.968 -0.342 0.000) 1.026 50.715 ( -1.163 0.288 0.000) 1.198 50.770 ( -0.658 -0.987 0.000) 1.186 50.939 ( -0.494 5.467 0.000) 5.489 51.216 ( -15.539 10.170 0.000) 18.571 51.437 ( -0.922 3.682 0.000) 3.796 51.584 ( -2.334 -0.819 0.000) 2.474 51.876 ( 0.180 -2.241 0.000) 2.249 51.879 ( -0.487 -1.579 0.000) 1.653 51.992 ( 10.631 -6.138 0.000) 12.276 52.094 ( 2.002 -2.174 0.000) 2.955 52.847 ( 1.903 2.343 0.000) 3.018 53.114 ( -2.269 2.004 0.000) 3.027 53.218 ( 7.122 -5.743 0.000) 9.149 53.504 ( -0.538 -3.956 0.000) 3.992 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 4.329 14.570 0.000) 15.199 1.151 ( 7.347 3.613 0.000) 8.187 1.440 ( -2.414 -3.944 0.000) 4.624 1.910 ( -12.926 6.013 0.000) 14.256 2.149 ( 9.096 -5.053 0.000) 10.405 2.242 ( 2.329 9.506 0.000) 9.787 2.334 ( -2.466 -1.613 0.000) 2.947 2.367 ( 9.111 10.263 0.000) 13.724 2.473 ( 1.923 7.676 0.000) 7.914 2.771 ( -6.551 6.575 0.000) 9.282 2.933 ( 13.628 6.177 0.000) 14.963 3.088 ( 3.727 -20.939 0.000) 21.268 3.255 ( 2.137 -4.462 0.000) 4.947 3.375 ( -1.144 -1.425 0.000) 1.828 3.733 ( -9.401 -13.670 0.000) 16.590 3.809 ( -5.033 -6.894 0.000) 8.535 4.111 ( -3.702 10.267 0.000) 10.914 4.225 ( -2.558 2.455 0.000) 3.545 4.513 ( -1.474 3.850 0.000) 4.123 4.623 ( -7.065 -3.844 0.000) 8.043 4.939 ( 5.494 -2.818 0.000) 6.175 5.012 ( 4.951 -8.536 0.000) 9.868 5.056 ( 2.832 -0.425 0.000) 2.863 5.145 ( -3.664 -2.175 0.000) 4.261 8.743 ( 19.855 -3.862 0.000) 20.227 9.024 ( 15.260 -7.736 0.000) 17.109 9.066 ( 5.668 5.278 0.000) 7.745 9.233 ( 4.551 7.291 0.000) 8.595 9.395 ( -4.484 13.507 0.000) 14.232 9.616 ( -18.154 -3.561 0.000) 18.500 9.856 ( -1.818 12.947 0.000) 13.074 10.093 ( -6.774 -7.441 0.000) 10.063 10.681 ( -0.322 6.213 0.000) 6.221 10.861 ( -6.818 -1.107 0.000) 6.908 10.929 ( 3.614 6.257 0.000) 7.226 11.128 ( -5.339 4.012 0.000) 6.679 19.730 ( 5.752 8.438 0.000) 10.212 20.299 ( -28.527 15.959 0.000) 32.687 20.324 ( 7.892 -5.866 0.000) 9.834 20.823 ( -16.598 -6.857 0.000) 17.958 21.612 ( 7.657 9.457 0.000) 12.168 21.885 ( 4.244 7.450 0.000) 8.574 21.912 ( -7.221 11.994 0.000) 14.000 22.136 ( -7.742 11.048 0.000) 13.491 23.220 ( 0.160 0.770 0.000) 0.786 23.280 ( -2.182 1.177 0.000) 2.479 23.402 ( 2.767 2.244 0.000) 3.563 23.477 ( -1.127 6.108 0.000) 6.211 23.613 ( 4.282 0.237 0.000) 4.288 23.738 ( -1.930 0.938 0.000) 2.146 23.831 ( 7.654 -0.265 0.000) 7.659 24.098 ( -5.405 -3.834 0.000) 6.626 24.101 ( 18.914 -4.551 0.000) 19.454 24.781 ( -14.053 -4.699 0.000) 14.818 25.131 ( 23.673 -27.754 0.000) 36.478 25.582 ( -4.000 -16.170 0.000) 16.657 50.593 ( 1.774 1.993 0.000) 2.668 50.676 ( 1.644 0.172 0.000) 1.653 50.682 ( -2.228 1.105 0.000) 2.486 50.748 ( -1.641 0.267 0.000) 1.663 50.929 ( -0.398 5.524 0.000) 5.538 50.999 ( -6.554 9.988 0.000) 11.946 51.442 ( 1.023 2.216 0.000) 2.440 51.529 ( -3.097 -0.313 0.000) 3.113 51.874 ( -0.049 -0.763 0.000) 0.765 51.877 ( -0.009 -1.414 0.000) 1.414 52.118 ( 3.364 -5.178 0.000) 6.175 52.132 ( 1.621 -3.150 0.000) 3.542 52.901 ( 3.476 2.228 0.000) 4.129 53.054 ( -3.743 2.081 0.000) 4.282 53.351 ( 5.866 -8.008 0.000) 9.927 53.484 ( -1.558 -5.213 0.000) 5.440 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -13.355 -2.559 0.000) 13.598 1.036 ( 13.355 -2.559 0.000) 13.598 1.619 ( -15.652 6.120 0.000) 16.806 1.619 ( 15.652 6.120 0.000) 16.806 2.282 ( -2.415 2.082 0.000) 3.189 2.282 ( 2.415 2.082 0.000) 3.189 2.324 ( -8.067 -0.586 0.000) 8.089 2.324 ( 8.067 -0.586 0.000) 8.089 2.612 ( -9.180 11.947 0.000) 15.067 2.612 ( 9.180 11.947 0.000) 15.067 3.195 ( -1.204 -13.298 0.000) 13.353 3.195 ( 1.204 -13.298 0.000) 13.353 3.262 ( -8.163 3.769 0.000) 8.991 3.262 ( 8.163 3.769 0.000) 8.991 3.665 ( -4.144 -6.291 0.000) 7.533 3.665 ( 4.144 -6.291 0.000) 7.533 4.147 ( -4.713 5.647 0.000) 7.355 4.147 ( 4.713 5.647 0.000) 7.355 4.526 ( -2.729 -2.117 0.000) 3.454 4.526 ( 2.729 -2.117 0.000) 3.454 5.043 ( -4.559 -2.463 0.000) 5.182 5.043 ( 4.559 -2.463 0.000) 5.182 5.082 ( -2.247 -4.451 0.000) 4.986 5.082 ( 2.247 -4.451 0.000) 4.986 9.103 ( -9.619 -1.411 0.000) 9.722 9.103 ( 9.619 -1.411 0.000) 9.722 9.237 ( -8.842 -0.581 0.000) 8.861 9.237 ( 8.842 -0.581 0.000) 8.861 9.327 ( -0.563 9.797 0.000) 9.813 9.327 ( 0.563 9.797 0.000) 9.813 9.918 ( -8.457 0.015 0.000) 8.457 9.918 ( 8.457 0.015 0.000) 8.457 10.737 ( -5.422 3.348 0.000) 6.372 10.737 ( 5.422 3.348 0.000) 6.372 11.019 ( -5.474 5.295 0.000) 7.616 11.019 ( 5.474 5.295 0.000) 7.616 19.907 ( -13.468 11.990 0.000) 18.032 19.907 ( 13.468 11.990 0.000) 18.032 20.528 ( -13.160 -6.539 0.000) 14.695 20.528 ( 13.160 -6.539 0.000) 14.695 21.766 ( -7.928 9.966 0.000) 12.734 21.766 ( 7.928 9.966 0.000) 12.734 21.992 ( -6.693 9.053 0.000) 11.258 21.992 ( 6.693 9.053 0.000) 11.258 23.240 ( -1.778 1.130 0.000) 2.107 23.240 ( 1.778 1.130 0.000) 2.107 23.447 ( -1.949 4.417 0.000) 4.828 23.447 ( 1.949 4.417 0.000) 4.828 23.687 ( -3.292 0.807 0.000) 3.390 23.687 ( 3.292 0.807 0.000) 3.390 23.976 ( -7.071 -1.719 0.000) 7.276 23.976 ( 7.071 -1.719 0.000) 7.276 24.466 ( -18.054 -4.536 0.000) 18.615 24.466 ( 18.054 -4.536 0.000) 18.615 25.448 ( -10.533 -21.777 0.000) 24.191 25.448 ( 10.533 -21.777 0.000) 24.191 50.635 ( -2.433 2.145 0.000) 3.244 50.635 ( 2.433 2.145 0.000) 3.244 50.711 ( -1.940 0.730 0.000) 2.073 50.711 ( 1.940 0.730 0.000) 2.073 50.933 ( -1.184 6.639 0.000) 6.743 50.933 ( 1.184 6.639 0.000) 6.743 51.474 ( -2.343 0.772 0.000) 2.467 51.474 ( 2.343 0.772 0.000) 2.467 51.876 ( -0.155 -0.771 0.000) 0.786 51.876 ( 0.155 -0.771 0.000) 0.786 52.149 ( -0.129 -3.985 0.000) 3.987 52.149 ( 0.129 -3.985 0.000) 3.987 52.976 ( -4.138 2.147 0.000) 4.662 52.976 ( 4.138 2.147 0.000) 4.662 53.439 ( -3.295 -6.915 0.000) 7.660 53.439 ( 3.295 -6.915 0.000) 7.660 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 14.120 0.000) 14.120 1.382 ( 0.000 -2.327 0.000) 2.327 1.651 ( 0.000 -13.068 0.000) 13.068 1.836 ( 0.000 27.226 0.000) 27.226 2.174 ( 0.000 11.898 0.000) 11.898 2.199 ( 0.000 -10.843 0.000) 10.843 2.296 ( 0.000 12.877 0.000) 12.877 2.444 ( 0.000 24.565 0.000) 24.565 2.482 ( 0.000 -2.213 0.000) 2.213 2.686 ( 0.000 -5.642 0.000) 5.642 2.710 ( 0.000 -10.323 0.000) 10.323 2.828 ( 0.000 -16.556 0.000) 16.556 3.283 ( 0.000 3.273 0.000) 3.273 3.405 ( 0.000 10.341 0.000) 10.341 3.611 ( 0.000 -7.914 0.000) 7.914 3.770 ( 0.000 -22.515 0.000) 22.515 3.966 ( 0.000 -5.038 0.000) 5.038 4.510 ( 0.000 9.498 0.000) 9.498 4.602 ( 0.000 -10.467 0.000) 10.467 4.710 ( 0.000 -3.805 0.000) 3.805 4.755 ( 0.000 -8.916 0.000) 8.916 4.855 ( 0.000 0.090 0.000) 0.090 4.918 ( 0.000 7.028 0.000) 7.028 5.184 ( 0.000 -1.506 0.000) 1.506 8.225 ( 0.000 -1.900 0.000) 1.900 8.434 ( 0.000 -7.589 0.000) 7.589 9.065 ( 0.000 5.566 0.000) 5.566 9.156 ( 0.000 2.478 0.000) 2.478 9.808 ( 0.000 15.618 0.000) 15.618 9.939 ( 0.000 -1.239 0.000) 1.239 10.093 ( 0.000 -3.598 0.000) 3.598 10.281 ( 0.000 10.566 0.000) 10.566 10.826 ( 0.000 3.578 0.000) 3.578 10.927 ( 0.000 -3.180 0.000) 3.180 10.961 ( 0.000 2.334 0.000) 2.334 11.255 ( 0.000 -1.752 0.000) 1.752 19.765 ( 0.000 5.666 0.000) 5.666 20.078 ( 0.000 -5.503 0.000) 5.503 21.185 ( 0.000 -2.713 0.000) 2.713 21.381 ( 0.000 -7.290 0.000) 7.290 21.662 ( 0.000 11.518 0.000) 11.518 21.926 ( 0.000 4.876 0.000) 4.876 22.492 ( 0.000 9.002 0.000) 9.002 22.719 ( 0.000 -0.938 0.000) 0.938 23.007 ( 0.000 6.741 0.000) 6.741 23.307 ( 0.000 0.786 0.000) 0.786 23.369 ( 0.000 2.929 0.000) 2.929 23.453 ( 0.000 -1.620 0.000) 1.620 23.540 ( 0.000 -4.756 0.000) 4.756 23.655 ( 0.000 1.958 0.000) 1.958 23.659 ( 0.000 8.544 0.000) 8.544 23.750 ( 0.000 -3.762 0.000) 3.762 23.843 ( 0.000 -3.197 0.000) 3.197 24.082 ( 0.000 -5.771 0.000) 5.771 24.986 ( 0.000 -2.748 0.000) 2.748 25.386 ( 0.000 -12.551 0.000) 12.551 50.582 ( 0.000 1.098 0.000) 1.098 50.630 ( 0.000 -0.558 0.000) 0.558 50.730 ( 0.000 0.160 0.000) 0.160 50.753 ( 0.000 -0.894 0.000) 0.894 51.074 ( 0.000 7.167 0.000) 7.167 51.483 ( 0.000 4.577 0.000) 4.577 51.540 ( 0.000 -5.814 0.000) 5.814 51.623 ( 0.000 2.648 0.000) 2.648 51.709 ( 0.000 -2.376 0.000) 2.376 51.814 ( 0.000 -3.289 0.000) 3.289 51.877 ( 0.000 1.473 0.000) 1.473 52.035 ( 0.000 -2.130 0.000) 2.130 52.885 ( 0.000 3.113 0.000) 3.113 53.083 ( 0.000 -2.829 0.000) 2.829 53.187 ( 0.000 3.000 0.000) 3.000 53.429 ( 0.000 -4.255 0.000) 4.255 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 1.126 9.139 0.000) 9.208 1.402 ( 2.374 1.811 0.000) 2.986 1.567 ( -18.499 29.100 0.000) 34.482 1.775 ( 11.311 -10.649 0.000) 15.536 2.215 ( 1.897 -10.020 0.000) 10.198 2.220 ( -3.154 7.830 0.000) 8.442 2.357 ( 3.482 7.857 0.000) 8.594 2.385 ( -3.832 -1.501 0.000) 4.115 2.601 ( 9.619 16.324 0.000) 18.947 2.663 ( -2.711 -11.941 0.000) 12.245 2.799 ( 12.437 4.722 0.000) 13.304 2.865 ( 2.050 -10.576 0.000) 10.773 3.298 ( 1.661 1.260 0.000) 2.085 3.341 ( -6.314 6.463 0.000) 9.036 3.612 ( -10.612 -17.870 0.000) 20.784 3.618 ( 0.580 -8.760 0.000) 8.779 4.097 ( 8.349 -5.579 0.000) 10.041 4.467 ( -4.782 9.975 0.000) 11.062 4.578 ( -3.841 -12.083 0.000) 12.679 4.720 ( -8.264 4.007 0.000) 9.184 4.754 ( 4.443 -5.582 0.000) 7.135 4.786 ( 4.174 -3.828 0.000) 5.664 5.009 ( 4.096 2.048 0.000) 4.579 5.165 ( -2.040 -1.519 0.000) 2.544 8.356 ( 12.944 -1.712 0.000) 13.057 8.561 ( 12.545 -7.512 0.000) 14.622 9.093 ( 3.194 5.700 0.000) 6.534 9.223 ( 5.963 2.769 0.000) 6.575 9.773 ( -3.577 15.029 0.000) 15.449 9.844 ( -9.447 -0.572 0.000) 9.465 10.055 ( -4.011 -5.161 0.000) 6.537 10.217 ( -6.318 9.402 0.000) 11.328 10.817 ( -0.787 4.708 0.000) 4.774 10.907 ( -1.825 -1.266 0.000) 2.221 10.974 ( 1.443 2.392 0.000) 2.794 11.232 ( -2.292 -1.447 0.000) 2.710 19.789 ( 2.654 5.836 0.000) 6.412 20.105 ( 2.953 -5.613 0.000) 6.342 21.022 ( -15.316 -3.460 0.000) 15.702 21.063 ( -27.586 -2.051 0.000) 27.662 21.705 ( 4.374 11.191 0.000) 12.015 21.951 ( 2.586 5.129 0.000) 5.744 22.358 ( -10.467 11.459 0.000) 15.519 22.522 ( -9.390 9.199 0.000) 13.145 23.208 ( 4.230 -0.400 0.000) 4.249 23.348 ( 5.484 0.990 0.000) 5.573 23.355 ( -1.374 2.948 0.000) 3.252 23.507 ( 4.865 -1.197 0.000) 5.010 23.644 ( -1.584 6.895 0.000) 7.075 23.661 ( 12.612 -5.533 0.000) 13.772 23.720 ( 6.897 2.248 0.000) 7.254 23.749 ( -0.182 -2.293 0.000) 2.300 24.068 ( -1.432 -5.005 0.000) 5.206 24.139 ( 25.768 -12.163 0.000) 28.494 24.912 ( -7.470 -2.450 0.000) 7.861 25.353 ( -3.524 -13.751 0.000) 14.195 50.594 ( 1.204 1.187 0.000) 1.691 50.643 ( 1.296 -0.440 0.000) 1.368 50.721 ( -0.848 0.310 0.000) 0.903 50.752 ( -0.145 -0.773 0.000) 0.786 51.069 ( -0.461 7.199 0.000) 7.214 51.376 ( -10.816 6.241 0.000) 12.487 51.503 ( -2.657 2.543 0.000) 3.678 51.523 ( -1.643 -5.301 0.000) 5.550 51.829 ( 1.342 -2.171 0.000) 2.552 51.878 ( 0.095 1.544 0.000) 1.547 51.888 ( 8.962 -4.174 0.000) 9.886 52.046 ( 0.995 -2.594 0.000) 2.779 52.904 ( 1.876 3.150 0.000) 3.666 53.124 ( 3.838 -4.019 0.000) 5.557 53.166 ( -2.179 3.058 0.000) 3.755 53.416 ( -1.346 -4.582 0.000) 4.775 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -2.444 4.708 0.000) 5.304 1.264 ( -11.177 25.137 0.000) 27.510 1.512 ( 9.707 7.969 0.000) 12.559 2.008 ( 10.436 -8.673 0.000) 13.569 2.042 ( -13.552 6.409 0.000) 14.991 2.252 ( -5.100 -4.689 0.000) 6.928 2.302 ( 7.942 -3.203 0.000) 8.563 2.502 ( 4.494 9.101 0.000) 10.150 2.653 ( 2.398 -14.364 0.000) 14.563 2.697 ( 2.556 4.459 0.000) 5.140 2.872 ( -1.568 -1.498 0.000) 2.168 3.044 ( -1.167 -3.691 0.000) 3.871 3.225 ( 4.381 6.663 0.000) 7.975 3.344 ( 2.620 -1.375 0.000) 2.958 3.476 ( -1.865 -8.618 0.000) 8.817 3.623 ( -0.655 -9.988 0.000) 10.009 4.220 ( 3.135 -1.768 0.000) 3.599 4.328 ( -8.307 10.596 0.000) 13.464 4.478 ( -3.978 -8.710 0.000) 9.576 4.583 ( -5.736 2.718 0.000) 6.347 4.870 ( 6.799 -3.946 0.000) 7.861 4.899 ( 6.530 -3.186 0.000) 7.266 5.047 ( -0.241 -0.610 0.000) 0.656 5.105 ( -4.117 -1.713 0.000) 4.459 8.688 ( 20.141 -1.329 0.000) 20.185 8.876 ( 18.363 -6.657 0.000) 19.532 9.173 ( 3.415 4.991 0.000) 6.047 9.333 ( 2.735 1.772 0.000) 3.259 9.607 ( -12.634 3.030 0.000) 12.992 9.674 ( -6.380 13.385 0.000) 14.828 9.949 ( -5.724 -6.675 0.000) 8.793 10.060 ( -8.982 5.946 0.000) 10.772 10.808 ( 0.150 6.297 0.000) 6.298 10.866 ( -2.249 2.511 0.000) 3.371 11.018 ( 3.016 2.142 0.000) 3.699 11.170 ( -3.983 -0.371 0.000) 4.001 19.881 ( 7.399 6.399 0.000) 9.782 20.203 ( 7.408 -5.850 0.000) 9.439 20.502 ( -26.098 5.429 0.000) 26.657 20.699 ( -17.185 -5.126 0.000) 17.933 21.823 ( 7.520 10.659 0.000) 13.044 22.028 ( 5.393 5.825 0.000) 7.939 22.166 ( -9.487 11.958 0.000) 15.264 22.338 ( -9.722 8.101 0.000) 12.655 23.239 ( 1.296 1.625 0.000) 2.078 23.319 ( -2.240 2.913 0.000) 3.675 23.447 ( 4.516 1.009 0.000) 4.628 23.598 ( -3.024 4.046 0.000) 5.051 23.611 ( 5.243 0.320 0.000) 5.253 23.737 ( -1.237 -0.002 0.000) 1.237 23.838 ( 6.747 0.127 0.000) 6.748 24.014 ( 19.580 -2.521 0.000) 19.742 24.026 ( -2.967 -3.093 0.000) 4.286 24.645 ( 23.561 -20.262 0.000) 31.075 24.704 ( -13.779 -1.993 0.000) 13.922 25.241 ( -8.325 -16.717 0.000) 18.675 50.626 ( 1.955 1.294 0.000) 2.344 50.677 ( 2.098 -0.194 0.000) 2.107 50.698 ( -1.474 0.727 0.000) 1.643 50.744 ( -0.820 -0.495 0.000) 0.958 51.063 ( 0.142 7.457 0.000) 7.458 51.188 ( -7.600 8.370 0.000) 11.305 51.469 ( -1.091 0.100 0.000) 1.095 51.487 ( -1.779 -4.026 0.000) 4.401 51.856 ( 1.279 -0.380 0.000) 1.334 51.880 ( -0.028 1.470 0.000) 1.470 52.015 ( 4.221 -4.841 0.000) 6.423 52.064 ( 0.668 -3.479 0.000) 3.542 52.956 ( 3.423 3.188 0.000) 4.677 53.107 ( -3.659 3.159 0.000) 4.834 53.214 ( 5.048 -5.694 0.000) 7.609 53.376 ( -2.827 -5.358 0.000) 6.058 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.076 13.738 0.000) 13.738 1.161 ( 0.076 13.738 0.000) 13.738 1.758 ( -14.666 6.811 0.000) 16.170 1.758 ( 14.666 6.811 0.000) 16.170 2.153 ( -5.549 -7.489 0.000) 9.321 2.153 ( 5.549 -7.489 0.000) 9.321 2.475 ( -6.950 8.917 0.000) 11.305 2.475 ( 6.950 8.917 0.000) 11.305 2.744 ( -1.622 -7.048 0.000) 7.232 2.744 ( 1.622 -7.048 0.000) 7.232 2.852 ( -5.632 -8.532 0.000) 10.223 2.852 ( 5.632 -8.532 0.000) 10.223 3.362 ( -1.964 1.957 0.000) 2.772 3.362 ( 1.964 1.957 0.000) 2.772 3.552 ( -7.092 -5.381 0.000) 8.902 3.552 ( 7.092 -5.381 0.000) 8.902 4.226 ( -0.873 4.029 0.000) 4.123 4.226 ( 0.873 4.029 0.000) 4.123 4.489 ( -3.872 -1.287 0.000) 4.080 4.489 ( 3.872 -1.287 0.000) 4.080 4.994 ( -5.343 -2.331 0.000) 5.830 4.994 ( 5.343 -2.331 0.000) 5.830 5.013 ( -5.054 -2.624 0.000) 5.694 5.013 ( 5.054 -2.624 0.000) 5.694 9.075 ( -16.687 -0.732 0.000) 16.703 9.075 ( 16.687 -0.732 0.000) 16.703 9.195 ( -12.963 -2.899 0.000) 13.283 9.195 ( 12.963 -2.899 0.000) 13.283 9.550 ( -5.033 10.838 0.000) 11.950 9.550 ( 5.033 10.838 0.000) 11.950 9.918 ( -3.903 -0.711 0.000) 3.967 9.918 ( 3.903 -0.711 0.000) 3.967 10.826 ( -1.679 5.552 0.000) 5.800 10.826 ( 1.679 5.552 0.000) 5.800 11.088 ( -4.134 1.108 0.000) 4.280 11.088 ( 4.134 1.108 0.000) 4.280 20.098 ( -15.575 7.000 0.000) 17.076 20.098 ( 15.575 7.000 0.000) 17.076 20.400 ( -13.024 -5.850 0.000) 14.277 20.400 ( 13.024 -5.850 0.000) 14.277 21.986 ( -9.034 10.829 0.000) 14.102 21.986 ( 9.034 10.829 0.000) 14.102 22.161 ( -8.227 6.820 0.000) 10.686 22.161 ( 8.227 6.820 0.000) 10.686 23.274 ( -2.201 2.577 0.000) 3.389 23.274 ( 2.201 2.577 0.000) 3.389 23.529 ( -4.002 1.987 0.000) 4.468 23.529 ( 4.002 1.987 0.000) 4.468 23.695 ( -3.273 1.037 0.000) 3.433 23.695 ( 3.273 1.037 0.000) 3.433 23.951 ( -4.849 -1.000 0.000) 4.951 23.951 ( 4.849 -1.000 0.000) 4.951 24.389 ( -18.337 -1.982 0.000) 18.444 24.389 ( 18.337 -1.982 0.000) 18.444 25.018 ( -15.044 -19.922 0.000) 24.964 25.018 ( 15.044 -19.922 0.000) 24.964 50.665 ( -1.955 1.141 0.000) 2.263 50.665 ( 1.955 1.141 0.000) 2.263 50.717 ( -1.872 -0.180 0.000) 1.881 50.717 ( 1.872 -0.180 0.000) 1.881 51.088 ( -2.885 8.140 0.000) 8.636 51.088 ( 2.885 8.140 0.000) 8.636 51.463 ( -0.512 -2.222 0.000) 2.280 51.463 ( 0.512 -2.222 0.000) 2.280 51.874 ( -0.564 0.888 0.000) 1.052 51.874 ( 0.564 0.888 0.000) 1.052 52.063 ( -1.028 -4.288 0.000) 4.410 52.063 ( 1.028 -4.288 0.000) 4.410 53.031 ( -4.092 3.203 0.000) 5.196 53.031 ( 4.092 3.203 0.000) 5.196 53.306 ( -4.268 -6.014 0.000) 7.375 53.306 ( 4.268 -6.014 0.000) 7.375 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 3.048 0.000) 3.048 1.417 ( 0.000 -9.424 0.000) 9.424 1.613 ( 0.000 16.524 0.000) 16.524 1.936 ( 0.000 -14.882 0.000) 14.882 2.252 ( 0.000 13.623 0.000) 13.623 2.318 ( 0.000 4.664 0.000) 4.664 2.426 ( 0.000 -2.624 0.000) 2.624 2.513 ( 0.000 -9.439 0.000) 9.439 2.550 ( 0.000 -4.081 0.000) 4.081 2.578 ( 0.000 -7.175 0.000) 7.175 2.677 ( 0.000 23.861 0.000) 23.861 2.937 ( 0.000 15.057 0.000) 15.057 3.315 ( 0.000 -17.683 0.000) 17.683 3.363 ( 0.000 4.531 0.000) 4.531 3.417 ( 0.000 -10.587 0.000) 10.587 3.469 ( 0.000 -6.097 0.000) 6.097 4.032 ( 0.000 12.372 0.000) 12.372 4.336 ( 0.000 -15.365 0.000) 15.365 4.641 ( 0.000 -2.261 0.000) 2.261 4.645 ( 0.000 -2.189 0.000) 2.189 4.682 ( 0.000 7.353 0.000) 7.353 4.805 ( 0.000 -4.626 0.000) 4.626 5.051 ( 0.000 5.777 0.000) 5.777 5.142 ( 0.000 -3.114 0.000) 3.114 8.226 ( 0.000 2.007 0.000) 2.007 8.302 ( 0.000 -5.311 0.000) 5.311 9.153 ( 0.000 2.973 0.000) 2.973 9.183 ( 0.000 0.018 0.000) 0.018 9.950 ( 0.000 2.135 0.000) 2.135 10.014 ( 0.000 -3.871 0.000) 3.871 10.105 ( 0.000 13.373 0.000) 13.373 10.320 ( 0.000 -6.371 0.000) 6.371 10.906 ( 0.000 3.865 0.000) 3.865 10.966 ( 0.000 -1.652 0.000) 1.652 10.985 ( 0.000 8.105 0.000) 8.105 11.159 ( 0.000 -7.456 0.000) 7.456 19.871 ( 0.000 4.927 0.000) 4.927 19.971 ( 0.000 -5.086 0.000) 5.086 21.175 ( 0.000 1.701 0.000) 1.701 21.249 ( 0.000 -5.358 0.000) 5.358 21.870 ( 0.000 8.268 0.000) 8.268 21.970 ( 0.000 -1.212 0.000) 1.212 22.629 ( 0.000 4.603 0.000) 4.603 22.692 ( 0.000 -1.967 0.000) 1.967 23.169 ( 0.000 8.536 0.000) 8.536 23.298 ( 0.000 -2.837 0.000) 2.837 23.425 ( 0.000 -0.881 0.000) 0.881 23.444 ( 0.000 -3.611 0.000) 3.611 23.463 ( 0.000 6.488 0.000) 6.488 23.619 ( 0.000 -8.190 0.000) 8.190 23.703 ( 0.000 2.813 0.000) 2.813 23.770 ( 0.000 -3.695 0.000) 3.695 23.830 ( 0.000 8.022 0.000) 8.022 23.972 ( 0.000 -5.856 0.000) 5.856 24.996 ( 0.000 4.140 0.000) 4.140 25.148 ( 0.000 -10.287 0.000) 10.287 50.602 ( 0.000 0.868 0.000) 0.868 50.617 ( 0.000 -0.673 0.000) 0.673 50.733 ( 0.000 0.214 0.000) 0.214 50.739 ( 0.000 -0.440 0.000) 0.440 51.230 ( 0.000 8.092 0.000) 8.092 51.395 ( 0.000 -8.009 0.000) 8.009 51.573 ( 0.000 4.213 0.000) 4.213 51.651 ( 0.000 -3.402 0.000) 3.402 51.682 ( 0.000 3.062 0.000) 3.062 51.747 ( 0.000 -3.328 0.000) 3.328 51.926 ( 0.000 2.933 0.000) 2.933 51.985 ( 0.000 -2.735 0.000) 2.735 52.952 ( 0.000 3.415 0.000) 3.415 53.021 ( 0.000 -3.296 0.000) 3.296 53.257 ( 0.000 3.853 0.000) 3.853 53.341 ( 0.000 -4.325 0.000) 4.325 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.917 6.245 0.000) 6.893 1.480 ( 5.494 -6.049 0.000) 8.172 1.689 ( 7.954 9.639 0.000) 12.497 1.962 ( 3.196 -14.224 0.000) 14.579 2.051 ( -14.772 16.686 0.000) 22.286 2.270 ( -9.777 -6.986 0.000) 12.017 2.411 ( -0.830 10.623 0.000) 10.655 2.539 ( 0.808 0.305 0.000) 0.864 2.598 ( 3.841 -6.736 0.000) 7.754 2.609 ( -0.222 15.980 0.000) 15.981 2.649 ( 5.476 -9.394 0.000) 10.874 2.980 ( -3.728 -10.234 0.000) 10.892 3.267 ( 3.533 5.217 0.000) 6.301 3.358 ( -0.437 4.246 0.000) 4.268 3.460 ( 0.015 -5.177 0.000) 5.177 3.465 ( -0.491 -6.375 0.000) 6.394 4.086 ( 5.510 6.442 0.000) 8.477 4.312 ( -1.835 -13.476 0.000) 13.600 4.640 ( -4.328 6.955 0.000) 8.192 4.688 ( 5.250 -0.865 0.000) 5.321 4.712 ( 5.649 -2.950 0.000) 6.373 4.738 ( -6.033 -2.335 0.000) 6.469 5.061 ( 0.308 3.289 0.000) 3.303 5.125 ( -1.778 -2.655 0.000) 3.195 8.358 ( 13.090 1.940 0.000) 13.233 8.431 ( 12.855 -5.135 0.000) 13.843 9.192 ( 3.928 3.853 0.000) 5.502 9.242 ( 5.298 -0.871 0.000) 5.369 9.871 ( -7.712 2.973 0.000) 8.265 9.953 ( -6.069 -4.773 0.000) 7.721 10.055 ( -5.062 12.481 0.000) 13.469 10.251 ( -6.879 -5.586 0.000) 8.861 10.912 ( 0.634 4.373 0.000) 4.419 10.978 ( 1.287 -1.816 0.000) 2.226 10.982 ( -0.314 7.786 0.000) 7.793 11.145 ( -1.395 -6.921 0.000) 7.060 19.896 ( 2.835 4.952 0.000) 5.706 19.996 ( 2.845 -5.103 0.000) 5.843 20.986 ( -17.094 -0.084 0.000) 17.094 21.012 ( -21.037 -2.344 0.000) 21.167 21.907 ( 3.708 7.906 0.000) 8.732 22.000 ( 3.084 -0.941 0.000) 3.225 22.544 ( -7.620 6.784 0.000) 10.202 22.618 ( -7.693 0.058 0.000) 7.693 23.246 ( 3.817 4.077 0.000) 5.585 23.332 ( 3.415 -3.066 0.000) 4.589 23.448 ( -1.442 6.385 0.000) 6.546 23.502 ( 7.771 1.235 0.000) 7.869 23.558 ( 11.378 -4.181 0.000) 12.122 23.600 ( -1.942 -7.688 0.000) 7.929 23.798 ( 9.651 5.396 0.000) 11.057 23.833 ( 0.119 7.601 0.000) 7.602 23.937 ( 15.625 -8.293 0.000) 17.689 23.969 ( -0.369 -5.550 0.000) 5.563 24.930 ( -6.779 4.622 0.000) 8.204 25.095 ( -5.513 -11.099 0.000) 12.392 50.615 ( 1.321 0.922 0.000) 1.611 50.631 ( 1.397 -0.676 0.000) 1.552 50.728 ( -0.485 0.428 0.000) 0.646 50.738 ( -0.161 -0.567 0.000) 0.590 51.225 ( -0.438 8.032 0.000) 8.044 51.386 ( -0.785 -7.705 0.000) 7.745 51.479 ( -7.996 3.915 0.000) 8.903 51.526 ( -5.328 -0.546 0.000) 5.356 51.800 ( 4.050 -0.317 0.000) 4.063 51.822 ( 6.878 -2.328 0.000) 7.261 51.928 ( 0.114 2.985 0.000) 2.987 51.989 ( 0.361 -2.962 0.000) 2.984 52.972 ( 2.029 3.564 0.000) 4.101 53.046 ( 2.524 -3.719 0.000) 4.494 53.237 ( -2.052 3.940 0.000) 4.442 53.323 ( -1.822 -4.497 0.000) 4.852 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 4.035 12.315 0.000) 12.959 1.607 ( 7.806 -4.422 0.000) 8.972 1.749 ( -15.056 20.544 0.000) 25.471 1.888 ( 11.030 2.605 0.000) 11.334 2.042 ( -13.056 -8.613 0.000) 15.641 2.096 ( 11.246 -14.018 0.000) 17.972 2.289 ( -9.182 11.184 0.000) 14.471 2.591 ( -6.647 -14.025 0.000) 15.520 2.593 ( 4.446 6.241 0.000) 7.663 2.688 ( 4.146 7.877 0.000) 8.902 2.765 ( 5.625 -8.617 0.000) 10.290 2.848 ( -4.538 -8.650 0.000) 9.768 3.352 ( 0.133 2.653 0.000) 2.657 3.392 ( 4.862 4.707 0.000) 6.768 3.418 ( -2.797 0.535 0.000) 2.848 3.449 ( -1.034 -6.789 0.000) 6.867 4.211 ( 6.149 2.388 0.000) 6.596 4.317 ( 4.041 -7.052 0.000) 8.128 4.514 ( -8.360 7.183 0.000) 11.022 4.602 ( -7.537 -1.409 0.000) 7.667 4.820 ( 7.622 -0.713 0.000) 7.655 4.840 ( 7.020 -2.418 0.000) 7.425 5.042 ( -2.510 0.495 0.000) 2.558 5.069 ( -4.127 -1.845 0.000) 4.521 8.694 ( 20.235 1.866 0.000) 20.321 8.761 ( 19.742 -4.631 0.000) 20.278 9.262 ( 0.465 3.755 0.000) 3.784 9.322 ( -0.608 -2.086 0.000) 2.173 9.705 ( -6.080 5.680 0.000) 8.321 9.822 ( -4.748 -5.944 0.000) 7.608 9.918 ( -8.753 10.335 0.000) 13.544 10.073 ( -10.788 -4.282 0.000) 11.607 10.929 ( 1.095 5.429 0.000) 5.539 10.971 ( -0.785 7.106 0.000) 7.150 11.013 ( 2.191 -2.461 0.000) 3.295 11.108 ( -2.328 -5.469 0.000) 5.944 19.993 ( 7.631 4.947 0.000) 9.094 20.092 ( 7.421 -5.058 0.000) 8.981 20.570 ( -22.020 2.233 0.000) 22.133 20.618 ( -19.007 -2.932 0.000) 19.232 22.011 ( 6.952 7.157 0.000) 9.978 22.090 ( 6.190 -0.290 0.000) 6.197 22.364 ( -10.192 7.016 0.000) 12.373 22.432 ( -10.496 0.658 0.000) 10.516 23.300 ( 2.617 4.465 0.000) 5.176 23.402 ( 3.739 -4.736 0.000) 6.034 23.409 ( -2.530 6.046 0.000) 6.554 23.548 ( -3.307 -6.732 0.000) 7.500 23.666 ( 7.709 4.823 0.000) 9.093 23.777 ( 8.881 -5.449 0.000) 10.420 23.826 ( -1.080 6.917 0.000) 7.000 23.952 ( -1.555 -4.920 0.000) 5.160 24.075 ( 18.090 8.008 0.000) 19.783 24.301 ( 19.998 -14.018 0.000) 24.422 24.737 ( -13.001 5.765 0.000) 14.222 24.933 ( -11.182 -13.055 0.000) 17.189 50.649 ( 2.004 1.036 0.000) 2.256 50.667 ( 2.126 -0.729 0.000) 2.248 50.714 ( -1.046 0.819 0.000) 1.329 50.730 ( -0.760 -0.768 0.000) 1.080 51.221 ( 0.311 7.881 0.000) 7.887 51.336 ( -6.173 6.207 0.000) 8.754 51.373 ( -0.348 -6.888 0.000) 6.897 51.435 ( -3.872 -3.434 0.000) 5.175 51.871 ( 2.980 1.856 0.000) 3.510 51.928 ( -0.272 3.018 0.000) 3.031 51.928 ( 4.011 -3.657 0.000) 5.428 51.994 ( -0.060 -3.433 0.000) 3.433 53.028 ( 3.582 3.868 0.000) 5.271 53.112 ( 4.092 -4.515 0.000) 6.093 53.181 ( -3.570 4.087 0.000) 5.426 53.272 ( -3.387 -4.836 0.000) 5.904 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -9.220 18.172 0.000) 20.377 1.508 ( 9.220 18.172 0.000) 20.377 1.795 ( -11.633 -7.272 0.000) 13.719 1.795 ( 11.633 -7.272 0.000) 13.719 2.095 ( -10.460 5.894 0.000) 12.006 2.095 ( 10.460 5.894 0.000) 12.006 2.362 ( -14.513 -18.185 0.000) 23.266 2.362 ( 14.513 -18.185 0.000) 23.266 2.685 ( -3.964 9.257 0.000) 10.070 2.685 ( 3.964 9.257 0.000) 10.070 2.828 ( -0.490 -3.448 0.000) 3.483 2.828 ( 0.490 -3.448 0.000) 3.483 3.370 ( -1.613 0.764 0.000) 1.785 3.370 ( 1.613 0.764 0.000) 1.785 3.435 ( -0.397 -5.415 0.000) 5.430 3.435 ( 0.397 -5.415 0.000) 5.430 4.344 ( -8.325 6.673 0.000) 10.669 4.344 ( 8.325 6.673 0.000) 10.669 4.450 ( -8.043 -3.318 0.000) 8.701 4.450 ( 8.043 -3.318 0.000) 8.701 4.959 ( -6.150 -0.812 0.000) 6.204 4.959 ( 6.150 -0.812 0.000) 6.204 4.968 ( -5.991 -1.637 0.000) 6.210 4.968 ( 5.991 -1.637 0.000) 6.210 9.083 ( -17.900 1.558 0.000) 17.968 9.083 ( 17.900 1.558 0.000) 17.968 9.132 ( -16.633 -3.019 0.000) 16.905 9.132 ( 16.633 -3.019 0.000) 16.905 9.744 ( -7.934 8.054 0.000) 11.305 9.744 ( 7.934 8.054 0.000) 11.305 9.870 ( -8.693 -4.304 0.000) 9.700 9.870 ( 8.693 -4.304 0.000) 9.700 10.952 ( -1.159 6.359 0.000) 6.464 10.952 ( 1.159 6.359 0.000) 6.464 11.060 ( -2.559 -3.748 0.000) 4.538 11.060 ( 2.559 -3.748 0.000) 4.538 20.208 ( -14.860 4.431 0.000) 15.506 20.208 ( 14.860 4.431 0.000) 15.506 20.296 ( -13.708 -4.548 0.000) 14.443 20.296 ( 13.708 -4.548 0.000) 14.443 22.171 ( -9.361 6.740 0.000) 11.535 22.171 ( 9.361 6.740 0.000) 11.535 22.238 ( -9.059 0.358 0.000) 9.066 22.238 ( 9.059 0.358 0.000) 9.066 23.355 ( -2.925 5.415 0.000) 6.155 23.355 ( 2.925 5.415 0.000) 6.155 23.477 ( -3.870 -5.766 0.000) 6.945 23.477 ( 3.870 -5.766 0.000) 6.945 23.779 ( -3.987 6.266 0.000) 7.427 23.779 ( 3.987 6.266 0.000) 7.427 23.899 ( -4.190 -4.668 0.000) 6.273 23.899 ( 4.190 -4.668 0.000) 6.273 24.435 ( -17.803 7.049 0.000) 19.148 24.435 ( 17.803 7.049 0.000) 19.148 24.662 ( -16.642 -14.834 0.000) 22.294 24.662 ( 16.642 -14.834 0.000) 22.294 50.687 ( -1.756 1.056 0.000) 2.049 50.687 ( 1.756 1.056 0.000) 2.049 50.706 ( -1.732 -0.823 0.000) 1.917 50.706 ( 1.732 -0.823 0.000) 1.917 51.248 ( -2.835 7.466 0.000) 7.986 51.248 ( 2.835 7.466 0.000) 7.986 51.382 ( -1.541 -5.544 0.000) 5.754 51.382 ( 1.541 -5.544 0.000) 5.754 51.913 ( -1.376 2.763 0.000) 3.087 51.913 ( 1.376 2.763 0.000) 3.087 51.980 ( -1.534 -3.793 0.000) 4.092 51.980 ( 1.534 -3.793 0.000) 4.092 53.105 ( -4.148 4.086 0.000) 5.823 53.105 ( 4.148 4.086 0.000) 5.823 53.196 ( -4.300 -4.946 0.000) 6.554 53.196 ( 4.300 -4.946 0.000) 6.554 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 0.000 19.186) 19.186 0.543 ( 0.000 0.000 26.020) 26.020 1.018 ( 0.000 0.000 48.940) 48.940 1.633 ( 0.000 0.000 -3.912) 3.912 2.064 ( 0.000 0.000 3.896) 3.896 2.128 ( 0.000 0.000 0.278) 0.278 2.168 ( 0.000 0.000 0.009) 0.009 2.430 ( 0.000 0.000 -2.811) 2.811 2.745 ( 0.000 0.000 -2.093) 2.093 2.810 ( 0.000 0.000 16.049) 16.049 3.170 ( 0.000 0.000 8.638) 8.638 3.261 ( 0.000 0.000 8.126) 8.126 3.584 ( 0.000 0.000 -1.231) 1.231 3.724 ( 0.000 0.000 5.110) 5.110 3.754 ( 0.000 0.000 -1.859) 1.859 3.931 ( 0.000 0.000 -4.138) 4.138 3.962 ( 0.000 0.000 -0.355) 0.355 4.183 ( 0.000 0.000 -1.641) 1.641 4.487 ( 0.000 0.000 -3.594) 3.594 4.560 ( 0.000 0.000 -6.230) 6.230 4.805 ( 0.000 0.000 -4.277) 4.277 4.928 ( 0.000 0.000 -4.092) 4.092 5.204 ( 0.000 0.000 -6.175) 6.175 5.243 ( 0.000 0.000 -2.118) 2.118 8.414 ( 0.000 0.000 -2.620) 2.620 8.797 ( 0.000 0.000 2.220) 2.220 8.848 ( 0.000 0.000 -6.421) 6.421 9.001 ( 0.000 0.000 -0.031) 0.031 9.094 ( 0.000 0.000 -2.002) 2.002 9.389 ( 0.000 0.000 6.685) 6.685 10.264 ( 0.000 0.000 8.568) 8.568 10.277 ( 0.000 0.000 0.201) 0.201 10.405 ( 0.000 0.000 -15.562) 15.562 10.728 ( 0.000 0.000 -4.124) 4.124 11.085 ( 0.000 0.000 -3.366) 3.366 11.207 ( 0.000 0.000 6.181) 6.181 19.476 ( 0.000 0.000 0.707) 0.707 19.524 ( 0.000 0.000 0.308) 0.308 21.234 ( 0.000 0.000 0.936) 0.936 21.605 ( 0.000 0.000 5.579) 5.579 21.656 ( 0.000 0.000 -2.963) 2.963 21.677 ( 0.000 0.000 0.706) 0.706 21.893 ( 0.000 0.000 -1.676) 1.676 22.305 ( 0.000 0.000 -2.290) 2.290 22.877 ( 0.000 0.000 3.567) 3.567 23.261 ( 0.000 0.000 0.199) 0.199 23.305 ( 0.000 0.000 -0.677) 0.677 23.416 ( 0.000 0.000 3.313) 3.313 23.509 ( 0.000 0.000 -1.679) 1.679 23.544 ( 0.000 0.000 -3.788) 3.788 23.693 ( 0.000 0.000 -5.254) 5.254 23.722 ( 0.000 0.000 -0.983) 0.983 24.374 ( 0.000 0.000 2.165) 2.165 24.660 ( 0.000 0.000 -1.399) 1.399 25.272 ( 0.000 0.000 4.904) 4.904 25.901 ( 0.000 0.000 -2.817) 2.817 50.515 ( 0.000 0.000 0.552) 0.552 50.532 ( 0.000 0.000 0.387) 0.387 50.740 ( 0.000 0.000 1.700) 1.700 50.815 ( 0.000 0.000 -0.275) 0.275 50.818 ( 0.000 0.000 -0.294) 0.294 51.238 ( 0.000 0.000 -4.704) 4.704 51.474 ( 0.000 0.000 -2.009) 2.009 51.583 ( 0.000 0.000 -0.999) 0.999 51.690 ( 0.000 0.000 5.850) 5.850 51.936 ( 0.000 0.000 0.135) 0.135 51.986 ( 0.000 0.000 1.134) 1.134 52.235 ( 0.000 0.000 -1.502) 1.502 52.790 ( 0.000 0.000 1.119) 1.119 53.056 ( 0.000 0.000 -2.974) 2.974 53.232 ( 0.000 0.000 4.083) 4.083 53.704 ( 0.000 0.000 -2.359) 2.359 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 23.681 0.000 10.246) 25.803 0.780 ( 19.695 0.000 18.724) 27.175 1.210 ( 17.744 0.000 35.772) 39.931 1.708 ( 7.344 0.000 -3.704) 8.225 1.991 ( -2.781 0.000 2.432) 3.694 2.052 ( -7.196 0.000 0.746) 7.235 2.235 ( 2.102 0.000 3.471) 4.058 2.427 ( -1.482 0.000 -3.188) 3.516 2.592 ( -8.830 0.000 7.731) 11.736 2.819 ( -2.215 0.000 9.216) 9.478 3.025 ( -11.382 0.000 17.116) 20.555 3.404 ( 10.176 0.000 -6.356) 11.998 3.597 ( 1.372 0.000 -0.750) 1.563 3.701 ( -1.141 0.000 2.945) 3.158 3.766 ( 0.433 0.000 -0.036) 0.434 3.799 ( -9.898 0.000 -0.239) 9.901 4.085 ( 6.938 0.000 0.928) 7.000 4.145 ( -3.909 0.000 -1.626) 4.234 4.380 ( -12.805 0.000 0.248) 12.808 4.611 ( 0.441 0.000 -1.984) 2.032 4.804 ( 10.850 0.000 -6.748) 12.777 4.956 ( 1.362 0.000 -2.980) 3.277 5.162 ( -1.728 0.000 -6.478) 6.704 5.294 ( 1.306 0.000 -2.775) 3.067 8.541 ( 12.118 0.000 -2.419) 12.357 8.842 ( 4.304 0.000 1.934) 4.719 8.996 ( -0.189 0.000 -0.267) 0.327 9.008 ( 15.835 0.000 -6.250) 17.024 9.099 ( 0.332 0.000 -0.453) 0.562 9.361 ( -2.802 0.000 6.025) 6.644 10.135 ( -13.403 0.000 1.500) 13.487 10.313 ( 4.801 0.000 6.517) 8.095 10.425 ( 1.987 0.000 -15.659) 15.785 10.634 ( -9.747 0.000 -4.039) 10.551 11.046 ( -3.569 0.000 -2.173) 4.178 11.171 ( -3.598 0.000 6.750) 7.649 19.480 ( 0.417 0.000 0.685) 0.802 19.522 ( -0.218 0.000 0.339) 0.403 21.102 ( -38.864 0.000 41.073) 56.546 21.282 ( 3.532 0.000 1.056) 3.686 21.427 ( -15.855 0.000 6.044) 16.968 21.682 ( 0.623 0.000 0.547) 0.829 21.695 ( -0.909 0.000 -2.828) 2.970 21.867 ( -2.517 0.000 -1.481) 2.920 23.098 ( 2.665 0.000 -6.377) 6.911 23.314 ( 0.892 0.000 -0.469) 1.007 23.357 ( -1.952 0.000 1.585) 2.515 23.406 ( -0.896 0.000 2.307) 2.475 23.534 ( 2.334 0.000 -0.984) 2.533 23.641 ( 8.030 0.000 -4.250) 9.085 23.715 ( -0.782 0.000 -0.953) 1.233 23.810 ( 12.110 0.000 -5.137) 13.155 24.348 ( -1.894 0.000 3.699) 4.155 25.160 ( -5.036 0.000 0.008) 5.036 25.440 ( 31.096 0.000 -28.412) 42.121 25.918 ( 1.390 0.000 -4.187) 4.412 50.516 ( 0.122 0.000 0.541) 0.554 50.531 ( -0.119 0.000 0.398) 0.415 50.732 ( -0.725 0.000 2.019) 2.145 50.815 ( 0.021 0.000 -0.276) 0.277 50.818 ( -0.027 0.000 -0.293) 0.294 50.954 ( -15.733 0.000 15.792) 22.292 51.282 ( 1.255 0.000 -4.383) 4.559 51.583 ( -3.412 0.000 0.327) 3.428 51.876 ( 1.781 0.000 -3.096) 3.571 51.946 ( -0.080 0.000 0.097) 0.125 52.101 ( 7.548 0.000 -1.719) 7.742 52.244 ( 0.589 0.000 -0.992) 1.154 52.809 ( 1.976 0.000 0.967) 2.200 53.053 ( -1.506 0.000 -2.224) 2.686 53.403 ( 10.228 0.000 -6.059) 11.888 53.682 ( -1.841 0.000 -1.523) 2.389 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 23.368 0.000 5.008) 23.899 1.191 ( 21.527 0.000 14.877) 26.168 1.588 ( 18.296 0.000 15.384) 23.904 1.866 ( -12.001 0.000 1.540) 12.100 1.898 ( 11.622 0.000 -3.320) 12.087 1.903 ( -8.229 0.000 9.649) 12.681 2.197 ( -7.174 0.000 0.254) 7.178 2.337 ( -8.010 0.000 -3.363) 8.687 2.501 ( 0.855 0.000 10.096) 10.132 2.727 ( -6.719 0.000 11.562) 13.373 2.910 ( 2.953 0.000 9.630) 10.073 3.478 ( -11.480 0.000 -2.622) 11.776 3.630 ( 1.727 0.000 0.348) 1.761 3.649 ( 3.008 0.000 2.541) 3.938 3.692 ( -0.518 0.000 2.365) 2.421 3.787 ( 3.093 0.000 -0.603) 3.151 3.991 ( -12.217 0.000 6.801) 13.983 4.038 ( -6.782 0.000 -1.493) 6.944 4.357 ( 8.130 0.000 -2.194) 8.420 4.601 ( -2.285 0.000 -3.208) 3.938 4.985 ( 3.488 0.000 -3.256) 4.772 5.041 ( 9.702 0.000 -5.958) 11.385 5.123 ( -2.430 0.000 -6.741) 7.166 5.285 ( -2.150 0.000 -3.041) 3.724 8.866 ( 20.846 0.000 -0.947) 20.868 8.939 ( 4.675 0.000 0.946) 4.770 9.000 ( 0.537 0.000 -0.432) 0.689 9.110 ( 1.394 0.000 2.680) 3.021 9.286 ( -4.876 0.000 4.795) 6.838 9.405 ( 22.589 0.000 -6.410) 23.481 9.798 ( -19.631 0.000 2.235) 19.758 10.353 ( -18.888 0.000 -3.777) 19.262 10.425 ( 5.768 0.000 -0.637) 5.803 10.475 ( 2.743 0.000 -15.075) 15.323 10.973 ( -2.982 0.000 2.075) 3.633 11.074 ( -6.006 0.000 8.288) 10.235 19.491 ( 0.662 0.000 0.621) 0.908 19.515 ( -0.462 0.000 0.420) 0.625 20.756 ( -3.007 0.000 23.477) 23.669 21.109 ( -16.080 0.000 7.975) 17.949 21.394 ( 6.752 0.000 -1.678) 6.957 21.639 ( -4.604 0.000 -4.139) 6.191 21.703 ( 1.573 0.000 0.128) 1.578 21.806 ( -3.400 0.000 -1.006) 3.546 23.144 ( 2.723 0.000 -2.786) 3.896 23.288 ( -4.158 0.000 1.465) 4.409 23.336 ( 1.270 0.000 0.012) 1.270 23.386 ( -1.186 0.000 1.204) 1.690 23.589 ( 3.127 0.000 -0.591) 3.182 23.691 ( -1.730 0.000 -0.853) 1.929 23.790 ( 7.928 0.000 -5.355) 9.567 24.011 ( 3.281 0.000 -9.102) 9.676 24.381 ( 8.995 0.000 9.256) 12.906 24.958 ( -13.567 0.000 5.068) 14.483 25.801 ( 9.571 0.000 -17.741) 20.158 25.936 ( 0.096 0.000 -6.848) 6.849 50.519 ( 0.210 0.000 0.510) 0.551 50.528 ( -0.207 0.000 0.427) 0.475 50.722 ( 0.033 0.000 2.992) 2.992 50.789 ( -4.182 0.000 8.257) 9.256 50.815 ( 0.038 0.000 -0.280) 0.283 50.817 ( -0.045 0.000 -0.290) 0.293 51.328 ( 3.257 0.000 -3.929) 5.104 51.499 ( -4.923 0.000 -1.399) 5.118 51.894 ( 0.874 0.000 -0.143) 0.885 51.935 ( -0.918 0.000 0.944) 1.317 52.198 ( 3.199 0.000 -0.607) 3.256 52.250 ( -0.075 0.000 -0.307) 0.316 52.863 ( 3.377 0.000 0.605) 3.431 53.004 ( -3.248 0.000 -0.899) 3.371 53.538 ( 4.511 0.000 -4.649) 6.477 53.644 ( -1.992 0.000 -1.613) 2.564 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -17.995 0.000 2.709) 18.197 1.577 ( 17.995 0.000 2.709) 18.197 1.581 ( -17.522 0.000 13.140) 21.901 1.581 ( 17.522 0.000 13.140) 21.901 1.969 ( -14.588 0.000 3.755) 15.063 1.969 ( 14.588 0.000 3.755) 15.063 2.134 ( -12.099 0.000 -3.211) 12.518 2.134 ( 12.099 0.000 -3.211) 12.518 2.591 ( -6.748 0.000 11.296) 13.158 2.591 ( 6.748 0.000 11.296) 13.158 3.139 ( -18.010 0.000 4.904) 18.665 3.139 ( 18.010 0.000 4.904) 18.665 3.664 ( -1.881 0.000 1.429) 2.362 3.664 ( 1.881 0.000 1.429) 2.362 3.789 ( -8.787 0.000 3.368) 9.411 3.789 ( 8.787 0.000 3.368) 9.411 3.897 ( -7.284 0.000 -1.142) 7.373 3.897 ( 7.284 0.000 -1.142) 7.373 4.511 ( -6.769 0.000 -2.465) 7.203 4.511 ( 6.769 0.000 -2.465) 7.203 5.055 ( -3.690 0.000 -4.813) 6.065 5.055 ( 3.690 0.000 -4.813) 6.065 5.206 ( -6.182 0.000 -4.727) 7.782 5.206 ( 6.182 0.000 -4.727) 7.782 8.996 ( -1.436 0.000 -0.009) 1.436 8.996 ( 1.436 0.000 -0.009) 1.436 9.181 ( -5.448 0.000 4.194) 6.876 9.181 ( 5.448 0.000 4.194) 6.876 9.311 ( -23.723 0.000 -0.733) 23.734 9.311 ( 23.723 0.000 -0.733) 23.734 9.926 ( -24.089 0.000 -3.239) 24.305 9.926 ( 24.089 0.000 -3.239) 24.305 10.499 ( -1.211 0.000 -10.877) 10.944 10.499 ( 1.211 0.000 -10.877) 10.944 10.972 ( -3.312 0.000 8.004) 8.662 10.972 ( 3.312 0.000 8.004) 8.662 19.504 ( -0.656 0.000 0.525) 0.840 19.504 ( 0.656 0.000 0.525) 0.840 20.844 ( -10.301 0.000 12.810) 16.438 20.844 ( 10.301 0.000 12.810) 16.438 21.527 ( -6.664 0.000 -3.488) 7.522 21.527 ( 6.664 0.000 -3.488) 7.522 21.745 ( -2.747 0.000 -0.429) 2.780 21.745 ( 2.747 0.000 -0.429) 2.780 23.209 ( -3.843 0.000 -0.191) 3.847 23.209 ( 3.843 0.000 -0.191) 3.847 23.361 ( -1.311 0.000 0.545) 1.420 23.361 ( 1.311 0.000 0.545) 1.420 23.647 ( -2.699 0.000 -0.688) 2.785 23.647 ( 2.699 0.000 -0.688) 2.785 23.943 ( -7.233 0.000 -6.998) 10.065 23.943 ( 7.233 0.000 -6.998) 10.065 24.661 ( -16.476 0.000 7.219) 17.988 24.661 ( 16.476 0.000 7.219) 17.988 25.911 ( -2.942 0.000 -10.143) 10.561 25.911 ( 2.942 0.000 -10.143) 10.561 50.524 ( -0.241 0.000 0.468) 0.527 50.524 ( 0.241 0.000 0.468) 0.527 50.738 ( -1.593 0.000 4.428) 4.706 50.738 ( 1.593 0.000 4.428) 4.706 50.816 ( -0.048 0.000 -0.285) 0.289 50.816 ( 0.048 0.000 -0.285) 0.289 51.405 ( -4.531 0.000 -2.837) 5.346 51.405 ( 4.531 0.000 -2.837) 5.346 51.914 ( -1.140 0.000 0.949) 1.483 51.914 ( 1.140 0.000 0.949) 1.483 52.239 ( -1.205 0.000 -0.230) 1.226 52.239 ( 1.205 0.000 -0.230) 1.226 52.934 ( -3.825 0.000 0.012) 3.825 52.934 ( 3.825 0.000 0.012) 3.825 53.603 ( -2.493 0.000 -2.681) 3.661 53.603 ( 2.493 0.000 -2.681) 3.661 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 22.717 16.408) 28.023 0.823 ( 0.000 23.051 17.659) 29.038 1.203 ( 0.000 20.535 35.604) 41.102 1.735 ( 0.000 7.418 -5.029) 8.962 1.868 ( 0.000 -17.134 -1.715) 17.220 2.118 ( 0.000 2.272 4.848) 5.354 2.141 ( 0.000 -2.246 2.426) 3.306 2.384 ( 0.000 -3.216 -4.345) 5.406 2.700 ( 0.000 0.526 2.213) 2.275 2.778 ( 0.000 -3.047 14.110) 14.435 3.096 ( 0.000 -1.675 15.930) 16.018 3.169 ( 0.000 -0.576 7.870) 7.891 3.407 ( 0.000 -12.842 -5.786) 14.085 3.590 ( 0.000 -12.344 2.257) 12.549 3.938 ( 0.000 -4.228 0.439) 4.251 3.971 ( 0.000 10.010 -7.667) 12.609 4.156 ( 0.000 -2.491 -1.646) 2.986 4.249 ( 0.000 10.531 -8.819) 13.737 4.571 ( 0.000 6.742 -5.625) 8.781 4.593 ( 0.000 3.050 -7.685) 8.269 4.800 ( 0.000 -0.371 -3.205) 3.226 4.891 ( 0.000 -3.638 -3.147) 4.811 5.135 ( 0.000 -7.597 1.373) 7.721 5.188 ( 0.000 -1.408 -6.107) 6.267 8.326 ( 0.000 -6.993 -5.723) 9.036 8.727 ( 0.000 -9.483 -6.648) 11.581 8.866 ( 0.000 5.439 3.682) 6.568 9.045 ( 0.000 2.982 1.293) 3.251 9.207 ( 0.000 10.570 -1.356) 10.657 9.583 ( 0.000 13.475 -1.889) 13.607 10.133 ( 0.000 -6.279 -1.218) 6.396 10.281 ( 0.000 0.908 10.136) 10.177 10.566 ( 0.000 9.366 -10.529) 14.092 10.685 ( 0.000 -2.518 -7.476) 7.889 11.154 ( 0.000 5.432 -1.060) 5.534 11.215 ( 0.000 -0.854 5.019) 5.091 19.523 ( 0.000 4.333 0.245) 4.340 19.911 ( 0.000 18.441 -18.159) 25.881 21.288 ( 0.000 4.957 0.930) 5.044 21.466 ( 0.000 -9.353 2.531) 9.689 21.541 ( 0.000 -9.311 -3.174) 9.837 21.714 ( 0.000 5.238 -2.092) 5.640 22.044 ( 0.000 11.073 0.244) 11.075 22.467 ( 0.000 10.049 -9.383) 13.748 22.892 ( 0.000 1.538 3.599) 3.914 23.227 ( 0.000 -2.548 0.561) 2.609 23.329 ( 0.000 1.909 -1.105) 2.206 23.432 ( 0.000 1.629 3.085) 3.489 23.494 ( 0.000 -1.193 -2.035) 2.359 23.556 ( 0.000 0.744 -3.497) 3.575 23.685 ( 0.000 -0.867 -4.106) 4.196 23.738 ( 0.000 1.626 -0.808) 1.816 24.338 ( 0.000 -3.426 2.360) 4.160 24.355 ( 0.000 -16.948 17.963) 24.697 25.230 ( 0.000 -3.968 4.828) 6.250 25.810 ( 0.000 -7.413 -1.163) 7.504 50.539 ( 0.000 0.634 0.203) 0.665 50.584 ( 0.000 3.331 -3.328) 4.709 50.739 ( 0.000 -0.043 1.475) 1.476 50.802 ( 0.000 -1.069 -0.146) 1.079 50.832 ( 0.000 2.027 -0.931) 2.231 51.262 ( 0.000 2.228 -5.254) 5.707 51.486 ( 0.000 1.158 -1.709) 2.064 51.663 ( 0.000 4.486 -4.443) 6.313 51.704 ( 0.000 1.257 5.906) 6.038 51.921 ( 0.000 -1.475 0.287) 1.503 51.957 ( 0.000 -2.612 1.220) 2.883 52.172 ( 0.000 -4.223 1.821) 4.599 52.803 ( 0.000 1.243 1.079) 1.646 53.061 ( 0.000 0.493 -3.036) 3.076 53.224 ( 0.000 -0.727 4.083) 4.148 53.620 ( 0.000 -5.173 1.503) 5.387 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 2.691 11.701 17.439) 21.173 1.039 ( 12.246 10.462 25.958) 30.549 1.499 ( 22.635 25.680 15.826) 37.713 1.813 ( -4.689 -14.782 -1.022) 15.541 1.832 ( 8.012 9.284 -3.781) 12.833 2.067 ( -4.305 2.450 4.461) 6.666 2.175 ( 2.044 -4.273 2.577) 5.392 2.410 ( 0.951 -1.904 -1.600) 2.662 2.614 ( -5.205 2.545 5.211) 7.793 2.793 ( -1.418 -2.185 9.191) 9.553 3.019 ( -6.612 0.979 13.898) 15.422 3.266 ( 8.513 -5.428 6.273) 11.886 3.408 ( 0.999 -13.374 -3.664) 13.902 3.580 ( -1.534 -10.897 2.417) 11.267 3.889 ( -2.158 6.197 -3.965) 7.667 4.034 ( -8.023 3.170 -0.693) 8.654 4.063 ( 0.462 0.088 -4.548) 4.572 4.133 ( -5.678 4.164 -2.592) 7.503 4.560 ( -9.849 6.364 3.692) 12.294 4.601 ( -0.601 4.245 -8.160) 9.218 4.800 ( 10.196 -0.133 -7.511) 12.665 4.916 ( 1.860 -3.747 -2.310) 4.779 5.139 ( -0.494 -2.945 -4.711) 5.578 5.204 ( 0.957 -6.226 -1.930) 6.588 8.449 ( 12.002 -6.977 -5.521) 14.940 8.836 ( 8.591 -6.385 -4.578) 11.642 8.943 ( 9.274 1.268 2.102) 9.593 9.066 ( 2.215 4.687 1.909) 5.524 9.201 ( -0.760 9.913 -0.619) 9.961 9.534 ( -3.954 12.475 -1.330) 13.154 10.039 ( -9.817 -5.005 0.661) 11.040 10.311 ( 2.367 -1.321 8.260) 8.694 10.556 ( -0.410 9.220 -11.720) 14.917 10.607 ( -7.486 -0.674 -7.397) 10.546 11.112 ( -3.858 4.782 0.942) 6.216 11.183 ( -3.197 0.574 5.596) 6.470 19.531 ( 0.812 4.625 0.093) 4.697 19.863 ( -5.126 20.145 -15.738) 26.072 21.085 ( -36.253 -2.082 22.336) 42.632 21.310 ( -9.402 -7.061 2.094) 11.943 21.343 ( -0.158 3.631 1.725) 4.023 21.723 ( 0.246 4.733 -2.161) 5.209 21.836 ( -9.572 12.949 6.722) 17.449 22.017 ( -4.525 11.731 0.142) 12.574 23.103 ( 2.707 0.544 -6.518) 7.078 23.327 ( 0.425 0.337 -0.497) 0.736 23.368 ( -0.135 0.913 1.412) 1.687 23.409 ( -0.437 1.235 2.142) 2.511 23.533 ( 3.124 -0.030 -0.746) 3.212 23.633 ( 6.796 -0.728 -4.415) 8.137 23.736 ( -0.022 2.001 -0.662) 2.108 23.793 ( 11.544 -1.626 -4.734) 12.583 24.316 ( -1.584 -3.067 3.875) 5.190 24.994 ( 30.945 -23.579 -11.388) 40.537 25.179 ( 1.388 -8.844 3.980) 9.797 25.819 ( 0.618 -8.195 -2.107) 8.484 50.541 ( 0.148 0.854 0.117) 0.875 50.581 ( -0.361 3.622 -3.136) 4.804 50.731 ( -0.802 -0.111 1.656) 1.843 50.790 ( -1.224 -1.321 0.140) 1.806 50.833 ( 0.189 2.070 -0.372) 2.112 51.091 ( -15.618 9.906 9.224) 20.667 51.306 ( 0.515 2.178 -4.594) 5.110 51.599 ( -3.649 1.328 0.628) 3.934 51.868 ( 1.744 -0.658 -2.424) 3.058 51.928 ( -0.007 -1.695 0.194) 1.706 52.070 ( 8.211 -2.940 -1.184) 8.802 52.195 ( 1.787 -3.894 0.970) 4.393 52.821 ( 1.908 1.183 0.969) 2.445 53.059 ( -1.262 0.668 -2.354) 2.753 53.339 ( 8.854 -4.996 -1.598) 10.291 53.611 ( -0.915 -4.902 0.882) 5.064 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 20.099 -8.437 9.745) 23.878 1.306 ( 13.928 2.780 19.895) 24.445 1.660 ( -9.400 -12.127 1.271) 15.396 1.894 ( -7.243 3.347 6.395) 10.226 1.920 ( 14.177 19.610 5.322) 24.776 2.027 ( 8.208 8.833 -1.883) 12.204 2.204 ( -0.599 0.530 -0.775) 1.114 2.411 ( -0.081 2.506 2.595) 3.609 2.538 ( -3.043 4.555 7.174) 9.027 2.713 ( -6.388 -0.515 9.841) 11.744 2.946 ( 2.986 3.453 8.766) 9.884 3.423 ( -3.114 -2.720 1.741) 4.486 3.435 ( 5.870 -10.810 3.729) 12.853 3.524 ( -0.551 -14.333 2.581) 14.574 3.829 ( -7.534 3.425 -1.115) 8.350 3.859 ( -1.719 8.609 -3.741) 9.542 4.008 ( -6.411 -2.312 1.363) 6.950 4.052 ( -5.348 2.573 0.481) 5.954 4.442 ( 1.172 6.757 -0.247) 6.862 4.590 ( -1.956 -0.575 -4.530) 4.968 4.960 ( 3.889 -2.282 -3.246) 5.556 5.009 ( 8.465 -2.817 -6.097) 10.805 5.108 ( -2.501 -1.398 -6.406) 7.017 5.205 ( -1.209 -6.836 -1.834) 7.180 8.759 ( 18.840 -6.658 -5.145) 20.633 8.972 ( 5.795 2.037 -0.012) 6.143 9.131 ( 3.885 8.397 3.385) 9.851 9.166 ( 2.121 1.449 -0.084) 2.570 9.206 ( 7.036 -0.310 2.737) 7.556 9.483 ( 0.241 3.670 -7.334) 8.204 9.786 ( -12.561 1.542 4.333) 13.376 10.254 ( -12.732 -7.164 -0.762) 14.629 10.501 ( 0.822 5.587 -3.677) 6.739 10.563 ( 0.661 7.196 -12.479) 14.420 11.034 ( -3.247 4.610 4.785) 7.396 11.100 ( -4.953 2.503 6.927) 8.876 19.557 ( 2.062 5.997 -0.459) 6.359 19.730 ( -7.253 16.937 -6.997) 19.709 20.699 ( -4.832 -5.120 19.664) 20.886 21.021 ( -15.353 -7.746 5.662) 18.105 21.448 ( 6.758 5.514 -1.287) 8.817 21.691 ( -4.254 5.970 -3.592) 8.164 21.781 ( 1.202 7.063 2.739) 7.671 21.923 ( -5.062 9.621 0.084) 10.872 23.149 ( 2.610 0.444 -3.225) 4.173 23.286 ( -3.878 -0.255 0.880) 3.984 23.366 ( 1.010 2.603 -0.038) 2.792 23.404 ( -0.581 2.062 1.586) 2.665 23.597 ( 3.312 0.735 -0.430) 3.420 23.693 ( -0.878 0.032 -1.974) 2.160 23.797 ( 6.863 0.940 -3.855) 7.927 23.993 ( 3.753 -1.757 -8.599) 9.546 24.353 ( 8.813 -2.798 9.108) 12.979 24.921 ( -13.233 -3.539 4.775) 14.506 25.565 ( 15.789 -21.105 -12.864) 29.329 25.818 ( -1.165 -10.334 -4.552) 11.352 50.545 ( 0.343 1.512 -0.173) 1.560 50.569 ( -0.795 3.617 -2.049) 4.232 50.718 ( -0.132 -0.406 2.170) 2.212 50.759 ( -1.746 -1.113 1.739) 2.704 50.840 ( 0.584 2.587 0.545) 2.708 50.910 ( -4.570 7.138 5.874) 10.312 51.346 ( 3.074 1.594 -4.135) 5.394 51.512 ( -4.911 1.202 -1.179) 5.191 51.887 ( 0.833 -0.675 0.010) 1.072 51.921 ( -0.665 -1.327 0.858) 1.714 52.175 ( 3.315 -2.196 -0.545) 4.013 52.220 ( 0.588 -2.781 0.275) 2.856 52.873 ( 3.337 1.084 0.610) 3.562 53.014 ( -3.180 0.944 -0.939) 3.447 53.478 ( 5.133 -5.642 -3.207) 8.274 53.587 ( -1.515 -4.625 -0.487) 4.891 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -17.468 -14.171 5.518) 23.160 1.297 ( 17.468 -14.171 5.518) 23.160 1.663 ( -12.611 2.021 12.011) 17.532 1.663 ( 12.611 2.021 12.011) 17.532 2.103 ( -6.269 8.114 -1.809) 10.412 2.103 ( 6.269 8.114 -1.809) 10.412 2.291 ( -12.028 12.209 -0.121) 17.139 2.291 ( 12.028 12.209 -0.121) 17.139 2.578 ( -6.479 -0.341 11.720) 13.395 2.578 ( 6.479 -0.341 11.720) 13.395 3.165 ( -16.358 3.347 4.353) 17.255 3.165 ( 16.358 3.347 4.353) 17.255 3.543 ( -2.514 -11.561 4.294) 12.586 3.543 ( 2.514 -11.561 4.294) 12.586 3.793 ( -3.838 -0.825 -0.402) 3.946 3.793 ( 3.838 -0.825 -0.402) 3.946 3.960 ( -2.376 5.561 -0.600) 6.077 3.960 ( 2.376 5.561 -0.600) 6.077 4.521 ( -4.809 0.669 -2.608) 5.512 4.521 ( 4.809 0.669 -2.608) 5.512 5.036 ( -3.857 -1.743 -4.775) 6.381 5.036 ( 3.857 -1.743 -4.775) 6.381 5.148 ( -4.787 -4.945 -4.214) 8.070 5.148 ( 4.787 -4.945 -4.214) 8.070 9.036 ( -2.827 2.074 -2.346) 4.219 9.036 ( 2.827 2.074 -2.346) 4.219 9.174 ( -5.584 0.566 1.157) 5.731 9.174 ( 5.584 0.566 1.157) 5.731 9.318 ( -13.119 0.839 1.899) 13.282 9.318 ( 13.119 0.839 1.899) 13.282 9.908 ( -19.370 -1.052 -2.695) 19.585 9.908 ( 19.370 -1.052 -2.695) 19.585 10.553 ( -2.168 4.834 -8.612) 10.111 10.553 ( 2.168 4.834 -8.612) 10.111 11.020 ( -2.228 4.236 7.670) 9.041 11.020 ( 2.228 4.236 7.670) 9.041 19.617 ( -4.312 9.835 -2.000) 10.923 19.617 ( 4.312 9.835 -2.000) 10.923 20.768 ( -9.683 -6.871 10.279) 15.704 20.768 ( 9.683 -6.871 10.279) 15.704 21.581 ( -6.623 5.667 -2.825) 9.163 21.581 ( 6.623 5.667 -2.825) 9.163 21.834 ( -3.867 7.747 1.030) 8.719 21.834 ( 3.867 7.747 1.030) 8.719 23.210 ( -3.689 0.138 -0.789) 3.775 23.210 ( 3.689 0.138 -0.789) 3.775 23.388 ( -1.045 2.538 0.784) 2.854 23.388 ( 1.045 2.538 0.784) 2.854 23.656 ( -2.633 0.758 -0.903) 2.885 23.656 ( 2.633 0.758 -0.903) 2.885 23.937 ( -6.582 -0.511 -6.241) 9.085 23.937 ( 6.582 -0.511 -6.241) 9.085 24.628 ( -16.289 -3.172 7.026) 18.021 24.628 ( 16.289 -3.172 7.026) 18.021 25.757 ( -5.599 -14.174 -8.255) 17.332 25.757 ( 5.599 -14.174 -8.255) 17.332 50.555 ( -0.632 2.569 -0.808) 2.766 50.555 ( 0.632 2.569 -0.808) 2.766 50.730 ( -1.192 -0.622 2.255) 2.625 50.730 ( 1.192 -0.622 2.255) 2.625 50.859 ( -1.450 4.056 2.107) 4.795 50.859 ( 1.450 4.056 2.107) 4.795 51.420 ( -4.426 1.328 -2.782) 5.394 51.420 ( 4.426 1.328 -2.782) 5.394 51.905 ( -0.954 -0.894 0.897) 1.585 51.905 ( 0.954 -0.894 0.897) 1.585 52.216 ( -1.049 -2.212 -0.005) 2.448 52.216 ( 1.049 -2.212 -0.005) 2.448 52.944 ( -3.797 1.025 0.009) 3.933 52.944 ( 3.797 1.025 0.009) 3.933 53.549 ( -2.565 -4.860 -1.966) 5.836 53.549 ( 2.565 -4.860 -1.966) 5.836 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 13.561 22.964) 26.669 1.351 ( 0.000 27.164 10.868) 29.257 1.527 ( 0.000 -14.415 -3.689) 14.880 1.786 ( 0.000 -3.385 -6.449) 7.283 1.793 ( 0.000 32.504 13.854) 35.334 2.075 ( 0.000 -4.724 -1.025) 4.834 2.209 ( 0.000 5.968 4.079) 7.229 2.397 ( 0.000 4.482 2.136) 4.965 2.703 ( 0.000 -3.396 9.684) 10.262 2.724 ( 0.000 0.688 1.397) 1.557 2.960 ( 0.000 -13.514 1.922) 13.650 3.097 ( 0.000 -7.971 2.545) 8.367 3.284 ( 0.000 1.068 2.623) 2.833 3.388 ( 0.000 -4.551 10.350) 11.306 3.806 ( 0.000 -7.458 2.117) 7.753 4.057 ( 0.000 -4.505 -7.868) 9.066 4.080 ( 0.000 -5.163 -0.949) 5.250 4.304 ( 0.000 1.059 -1.579) 1.901 4.673 ( 0.000 4.341 -7.632) 8.780 4.679 ( 0.000 2.097 -7.500) 7.788 4.788 ( 0.000 -5.841 0.032) 5.841 4.806 ( 0.000 1.578 -1.211) 1.989 4.994 ( 0.000 -6.051 1.315) 6.192 5.155 ( 0.000 -1.584 -5.767) 5.981 8.185 ( 0.000 -6.179 -9.277) 11.146 8.520 ( 0.000 -10.273 -8.216) 13.154 8.983 ( 0.000 5.689 3.300) 6.577 9.111 ( 0.000 3.304 1.763) 3.745 9.482 ( 0.000 15.511 -0.034) 15.511 9.791 ( 0.000 5.163 -9.526) 10.835 10.117 ( 0.000 5.749 2.878) 6.429 10.260 ( 0.000 -3.275 8.789) 9.379 10.686 ( 0.000 3.024 -6.958) 7.587 10.741 ( 0.000 7.657 -6.856) 10.278 11.164 ( 0.000 -3.706 7.182) 8.082 11.255 ( 0.000 3.753 0.997) 3.883 19.633 ( 0.000 5.999 -0.636) 6.032 20.087 ( 0.000 1.467 -8.742) 8.865 21.252 ( 0.000 -8.098 -2.384) 8.442 21.363 ( 0.000 -8.126 -10.509) 13.284 21.471 ( 0.000 9.776 2.841) 10.180 21.843 ( 0.000 6.985 0.663) 7.017 22.276 ( 0.000 11.296 0.077) 11.297 22.618 ( 0.000 4.999 -8.391) 9.767 22.941 ( 0.000 3.416 3.557) 4.931 23.189 ( 0.000 -0.745 -1.319) 1.515 23.361 ( 0.000 0.984 -0.679) 1.195 23.467 ( 0.000 -1.409 -1.956) 2.410 23.476 ( 0.000 1.802 -0.948) 2.036 23.563 ( 0.000 -0.202 -4.377) 4.381 23.671 ( 0.000 0.499 0.705) 0.863 23.785 ( 0.000 2.815 0.471) 2.854 24.128 ( 0.000 -6.986 16.083) 17.535 24.241 ( 0.000 -5.926 2.865) 6.582 25.126 ( 0.000 -5.798 4.483) 7.329 25.619 ( 0.000 -11.157 -1.179) 11.219 50.556 ( 0.000 0.933 -0.213) 0.957 50.619 ( 0.000 0.571 -1.817) 1.904 50.739 ( 0.000 0.035 1.175) 1.176 50.779 ( 0.000 -1.125 0.189) 1.141 50.906 ( 0.000 5.067 -2.657) 5.721 51.316 ( 0.000 2.658 -6.827) 7.326 51.518 ( 0.000 1.959 -0.700) 2.080 51.718 ( 0.000 1.139 -2.354) 2.615 51.731 ( 0.000 0.955 6.340) 6.411 51.879 ( 0.000 -2.583 0.476) 2.627 51.896 ( 0.000 -2.801 0.990) 2.971 52.096 ( 0.000 -3.313 1.252) 3.542 52.839 ( 0.000 2.310 0.974) 2.507 53.072 ( 0.000 0.381 -2.951) 2.975 53.208 ( 0.000 -0.589 3.845) 3.889 53.525 ( 0.000 -4.486 0.857) 4.567 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -10.061 24.483 12.233) 29.160 1.250 ( 2.248 11.599 22.849) 25.723 1.515 ( -1.265 -11.279 -0.750) 11.374 1.898 ( 9.393 -3.968 -3.142) 10.670 2.042 ( 9.791 12.752 -0.057) 16.078 2.145 ( 6.480 14.243 2.925) 15.919 2.184 ( 3.088 6.661 4.745) 8.742 2.402 ( 0.680 1.477 3.548) 3.903 2.650 ( -2.172 1.273 9.736) 10.056 2.759 ( 0.630 -0.706 2.956) 3.104 2.939 ( -0.520 -13.077 1.673) 13.194 3.144 ( 2.024 -10.614 3.927) 11.497 3.204 ( -2.314 1.614 4.850) 5.611 3.442 ( 2.209 -3.231 7.259) 8.247 3.827 ( 1.088 -8.357 1.586) 8.575 3.935 ( -8.390 -10.614 -0.457) 13.537 4.094 ( -0.923 1.755 -8.204) 8.441 4.270 ( -4.266 5.255 -0.723) 6.808 4.571 ( -5.150 1.784 -3.510) 6.483 4.737 ( -5.467 2.394 -2.908) 6.639 4.794 ( 6.564 -1.995 -7.329) 10.039 4.824 ( 3.166 -4.138 -1.600) 5.451 5.025 ( 2.455 -5.154 0.898) 5.779 5.139 ( -1.683 -1.560 -5.501) 5.960 8.313 ( 12.649 -5.771 -8.985) 16.554 8.645 ( 12.186 -10.094 -7.982) 17.723 9.025 ( 4.275 4.940 3.879) 7.598 9.164 ( 5.089 4.553 1.993) 7.113 9.462 ( -2.250 14.614 0.114) 14.787 9.715 ( -7.690 3.778 -9.381) 12.705 10.050 ( -6.473 6.818 3.560) 10.053 10.234 ( -3.319 -5.607 5.993) 8.853 10.656 ( -2.363 5.069 -5.476) 7.827 10.734 ( -0.636 7.896 -7.042) 10.599 11.138 ( -2.272 -1.808 8.183) 8.683 11.235 ( -2.128 3.629 1.647) 4.518 19.647 ( 1.566 6.299 -1.018) 6.570 20.088 ( -0.278 3.143 -10.519) 10.982 21.022 ( -29.043 -3.749 -0.359) 29.286 21.124 ( -12.810 -8.857 -1.005) 15.606 21.504 ( 3.783 10.283 1.726) 11.092 21.855 ( 1.187 7.430 0.568) 7.546 22.126 ( -13.503 13.896 4.569) 19.908 22.278 ( -8.175 13.110 0.131) 15.451 23.122 ( 2.722 1.352 -6.474) 7.152 23.305 ( 1.991 -1.907 0.575) 2.816 23.389 ( 2.214 1.145 1.637) 2.982 23.462 ( 0.443 2.149 -2.232) 3.130 23.544 ( 5.599 1.857 0.606) 5.930 23.611 ( 4.842 -1.558 -5.368) 7.395 23.748 ( 9.093 -2.231 -2.301) 9.642 23.792 ( 1.044 3.208 0.802) 3.467 24.229 ( -0.801 -5.347 4.272) 6.891 24.522 ( 31.449 -18.911 2.745) 36.800 25.052 ( -7.204 -5.841 5.018) 10.545 25.607 ( -1.484 -12.365 -1.760) 12.577 50.562 ( 0.610 1.127 -0.440) 1.355 50.624 ( 0.433 0.915 -2.124) 2.353 50.728 ( -1.136 -0.150 0.954) 1.491 50.769 ( -0.913 -0.805 -0.132) 1.224 50.908 ( 0.286 5.104 -1.624) 5.364 51.269 ( -10.017 6.996 2.080) 12.394 51.360 ( -2.507 2.938 -3.840) 5.447 51.624 ( -4.037 0.775 1.619) 4.418 51.855 ( 1.498 -0.515 -0.913) 1.828 51.884 ( 0.289 -2.286 0.266) 2.319 51.992 ( 8.520 -4.387 0.589) 9.601 52.117 ( 1.848 -3.571 1.208) 4.198 52.857 ( 1.804 2.289 0.897) 3.049 53.078 ( -0.431 1.106 -2.740) 2.986 53.247 ( 4.236 -3.641 2.424) 6.089 53.514 ( -1.070 -4.707 0.466) 4.850 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 2.244 14.285 12.373) 19.031 1.298 ( -3.321 -4.117 9.335) 10.730 1.527 ( 6.048 1.962 10.804) 12.537 1.929 ( -7.936 2.242 1.604) 8.402 2.148 ( 8.671 -0.293 0.078) 8.677 2.232 ( 2.809 3.802 -1.466) 4.950 2.293 ( 1.469 8.880 2.654) 9.384 2.501 ( 6.504 10.627 4.229) 13.158 2.601 ( -3.648 1.977 12.857) 13.510 2.774 ( 0.238 6.005 2.944) 6.692 3.005 ( 8.857 -4.248 3.559) 10.448 3.123 ( 2.667 -10.344 5.103) 11.839 3.291 ( 4.359 -7.337 3.827) 9.353 3.434 ( -3.093 -0.845 5.165) 6.080 3.717 ( -8.206 -10.646 -0.466) 13.449 3.866 ( -3.897 -10.084 4.319) 11.642 4.047 ( -1.931 7.587 -6.454) 10.146 4.165 ( -4.791 7.061 -3.254) 9.132 4.508 ( -1.268 -0.834 -1.350) 2.031 4.606 ( -6.373 1.284 -2.536) 6.978 4.903 ( 4.738 -3.171 -3.009) 6.447 4.936 ( 6.823 -4.437 -5.853) 10.025 5.053 ( -0.463 -3.988 -2.843) 4.920 5.095 ( -2.455 -2.242 -3.813) 5.060 8.640 ( 19.926 -4.819 -8.295) 22.115 8.931 ( 14.832 -6.661 -6.214) 17.406 9.136 ( 6.426 2.330 3.570) 7.711 9.276 ( 4.547 4.885 2.494) 7.125 9.387 ( -5.454 10.406 -1.189) 11.809 9.513 ( -11.479 2.574 -6.450) 13.416 9.909 ( -6.082 8.277 2.942) 10.684 10.104 ( -10.089 -6.982 0.072) 12.269 10.634 ( 0.732 7.379 -2.477) 7.818 10.716 ( -1.387 7.423 -6.389) 9.892 11.100 ( -1.079 1.765 8.906) 9.143 11.176 ( -3.629 4.071 3.698) 6.589 19.703 ( 4.530 7.592 -2.358) 9.149 20.027 ( -7.770 10.135 -12.714) 18.021 20.579 ( -10.462 -5.856 10.980) 16.257 20.841 ( -14.866 -9.149 1.478) 17.519 21.612 ( 6.864 10.262 0.085) 12.346 21.870 ( -2.089 10.454 -2.301) 10.906 21.962 ( -2.470 10.388 5.256) 11.901 22.140 ( -6.982 11.050 0.644) 13.087 23.163 ( 2.207 1.013 -3.931) 4.620 23.277 ( -3.056 -0.533 -0.343) 3.122 23.422 ( 1.829 2.614 0.452) 3.222 23.473 ( -0.034 4.114 -0.295) 4.125 23.621 ( 3.151 1.867 0.933) 3.779 23.681 ( 1.337 -1.212 -4.128) 4.505 23.836 ( 4.286 2.927 -0.303) 5.199 23.946 ( 5.511 -2.539 -6.963) 9.236 24.272 ( 8.415 -4.942 8.691) 13.068 24.826 ( -11.668 -5.568 3.599) 13.420 25.088 ( 20.526 -23.285 -3.341) 31.219 25.549 ( -4.966 -15.528 -3.192) 16.612 50.579 ( 1.178 1.633 -1.085) 2.287 50.627 ( -0.396 2.001 -2.740) 3.416 50.707 ( -0.493 -0.668 0.712) 1.094 50.746 ( -1.450 -0.403 -0.284) 1.531 50.924 ( 1.533 5.523 0.849) 5.795 51.077 ( -7.544 8.661 5.568) 12.764 51.382 ( 2.597 1.561 -4.559) 5.474 51.536 ( -4.796 0.802 -0.351) 4.875 51.872 ( 0.694 -0.619 0.267) 0.968 51.888 ( 0.009 -1.640 0.608) 1.749 52.111 ( 3.796 -4.068 -0.087) 5.565 52.150 ( 1.126 -3.818 0.897) 4.080 52.907 ( 3.245 2.208 0.589) 3.969 53.043 ( -2.932 1.958 -1.067) 3.684 53.346 ( 5.095 -6.520 -0.191) 8.277 53.484 ( -2.128 -5.408 -0.320) 5.821 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -11.262 -1.072 8.080) 13.902 1.124 ( 11.262 -1.072 8.080) 13.902 1.726 ( -11.869 4.627 9.030) 15.615 1.726 ( 11.869 4.627 9.030) 15.615 2.234 ( -1.375 3.245 -2.020) 4.062 2.234 ( 1.375 3.245 -2.020) 4.062 2.416 ( -9.213 1.311 5.991) 11.067 2.416 ( 9.213 1.311 5.991) 11.067 2.685 ( -7.549 9.984 7.200) 14.440 2.685 ( 7.549 9.984 7.200) 14.440 3.214 ( -6.654 -12.422 2.423) 14.298 3.214 ( 6.654 -12.422 2.423) 14.298 3.306 ( -8.920 1.821 3.745) 9.844 3.306 ( 8.920 1.821 3.745) 9.844 3.710 ( -7.738 -6.760 3.890) 10.987 3.710 ( 7.738 -6.760 3.890) 10.987 4.084 ( -3.955 5.745 -4.940) 8.547 4.084 ( 3.955 5.745 -4.940) 8.547 4.519 ( -2.452 -1.118 -1.500) 3.085 4.519 ( 2.452 -1.118 -1.500) 3.085 4.993 ( -3.906 -2.346 -4.589) 6.467 4.993 ( 3.906 -2.346 -4.589) 6.467 5.045 ( -3.292 -4.472 -3.612) 6.624 5.045 ( 3.292 -4.472 -3.612) 6.624 9.020 ( -15.032 -2.366 -6.479) 16.539 9.020 ( 15.032 -2.366 -6.479) 16.539 9.199 ( -2.609 -0.996 -2.230) 3.573 9.199 ( 2.609 -0.996 -2.230) 3.573 9.388 ( -2.516 7.435 2.728) 8.310 9.388 ( 2.516 7.435 2.728) 8.310 9.906 ( -7.108 0.794 -0.958) 7.216 9.906 ( 7.108 0.794 -0.958) 7.216 10.675 ( -2.696 6.900 -3.577) 8.227 10.675 ( 2.696 6.900 -3.577) 8.227 11.113 ( -2.384 4.111 6.749) 8.255 11.113 ( 2.384 4.111 6.749) 8.255 19.835 ( -9.318 10.397 -5.826) 15.129 19.835 ( 9.318 10.397 -5.826) 15.129 20.598 ( -8.899 -9.113 5.524) 13.884 20.598 ( 8.899 -9.113 5.524) 13.884 21.754 ( -7.457 10.901 -1.185) 13.260 21.754 ( 7.457 10.901 -1.185) 13.260 22.016 ( -5.450 9.447 2.438) 11.176 22.016 ( 5.450 9.447 2.438) 11.176 23.215 ( -3.076 0.377 -1.939) 3.656 23.215 ( 3.076 0.377 -1.939) 3.656 23.457 ( -1.525 3.838 0.295) 4.140 23.457 ( 1.525 3.838 0.295) 4.140 23.671 ( -1.851 0.647 -1.188) 2.292 23.671 ( 1.851 0.647 -1.188) 2.292 23.931 ( -4.419 0.281 -3.749) 5.802 23.931 ( 4.419 0.281 -3.749) 5.802 24.541 ( -16.092 -5.077 6.429) 18.057 24.541 ( 16.092 -5.077 6.429) 18.057 25.397 ( -11.248 -19.943 -4.705) 23.375 25.397 ( 11.248 -19.943 -4.705) 23.375 50.606 ( -1.493 2.207 -2.044) 3.359 50.606 ( 1.493 2.207 -2.044) 3.359 50.717 ( -1.304 -0.576 0.065) 1.427 50.717 ( 1.304 -0.576 0.065) 1.427 50.972 ( -3.667 6.856 3.554) 8.549 50.972 ( 3.667 6.856 3.554) 8.549 51.448 ( -4.116 1.091 -2.473) 4.924 51.448 ( 4.116 1.091 -2.473) 4.924 51.883 ( -0.448 -0.963 0.699) 1.271 51.883 ( 0.448 -0.963 0.699) 1.271 52.153 ( -0.873 -3.796 0.414) 3.917 52.153 ( 0.873 -3.796 0.414) 3.917 52.976 ( -3.723 2.141 -0.003) 4.295 52.976 ( 3.723 2.141 -0.003) 4.295 53.430 ( -3.498 -6.372 -0.794) 7.312 53.430 ( 3.498 -6.372 -0.794) 7.312 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 -4.955 -3.170) 5.883 1.460 ( 0.000 11.169 14.940) 18.653 1.560 ( 0.000 -9.403 -3.327) 9.974 1.971 ( 0.000 15.729 8.515) 17.885 1.990 ( 0.000 6.656 -9.060) 11.242 2.273 ( 0.000 4.601 5.217) 6.956 2.381 ( 0.000 -6.998 -2.128) 7.315 2.461 ( 0.000 25.761 2.396) 25.872 2.692 ( 0.000 -9.847 -0.596) 9.865 2.702 ( 0.000 2.527 18.248) 18.422 2.721 ( 0.000 -0.376 5.377) 5.390 2.904 ( 0.000 -8.799 7.681) 11.680 3.311 ( 0.000 -0.021 2.331) 2.331 3.400 ( 0.000 3.149 0.759) 3.240 3.677 ( 0.000 -5.225 5.458) 7.556 3.811 ( 0.000 -16.425 3.610) 16.817 3.963 ( 0.000 -4.796 -0.294) 4.805 4.336 ( 0.000 -0.552 -10.593) 10.607 4.663 ( 0.000 -2.373 -4.419) 5.016 4.686 ( 0.000 -3.888 -1.723) 4.253 4.719 ( 0.000 -0.706 1.823) 1.955 4.834 ( 0.000 -0.050 -2.313) 2.313 4.933 ( 0.000 1.731 -0.069) 1.732 5.131 ( 0.000 -0.982 -4.996) 5.092 8.095 ( 0.000 -2.380 -11.143) 11.394 8.326 ( 0.000 -8.662 -10.145) 13.340 9.088 ( 0.000 4.534 1.692) 4.839 9.168 ( 0.000 2.118 1.270) 2.470 9.792 ( 0.000 13.898 -0.838) 13.924 9.839 ( 0.000 1.646 -8.286) 8.448 10.174 ( 0.000 -4.088 5.525) 6.873 10.278 ( 0.000 6.688 -0.970) 6.758 10.781 ( 0.000 5.575 -2.521) 6.118 10.882 ( 0.000 6.785 -0.461) 6.801 11.081 ( 0.000 -4.213 7.332) 8.456 11.284 ( 0.000 -1.193 2.038) 2.361 19.752 ( 0.000 5.579 -1.125) 5.691 20.051 ( 0.000 -3.881 -2.837) 4.808 21.117 ( 0.000 -4.753 -5.968) 7.629 21.213 ( 0.000 -6.562 -13.102) 14.653 21.699 ( 0.000 11.687 3.142) 12.102 21.971 ( 0.000 4.907 2.581) 5.544 22.484 ( 0.000 8.808 -0.776) 8.842 22.682 ( 0.000 1.517 -4.066) 4.340 23.034 ( 0.000 5.799 2.687) 6.391 23.205 ( 0.000 2.291 -4.365) 4.930 23.373 ( 0.000 0.272 -0.157) 0.314 23.438 ( 0.000 -1.472 -1.675) 2.230 23.464 ( 0.000 -2.744 -4.772) 5.504 23.541 ( 0.000 -2.226 -6.469) 6.841 23.737 ( 0.000 5.453 4.244) 6.910 23.838 ( 0.000 1.928 4.065) 4.499 24.019 ( 0.000 -4.329 12.378) 13.114 24.116 ( 0.000 -5.860 3.145) 6.651 25.023 ( 0.000 -3.581 3.480) 4.994 25.376 ( 0.000 -12.355 -0.925) 12.389 50.575 ( 0.000 0.972 -0.549) 1.117 50.620 ( 0.000 -0.277 -0.873) 0.916 50.741 ( 0.000 0.104 1.005) 1.010 50.760 ( 0.000 -0.709 0.559) 0.903 51.026 ( 0.000 6.617 -3.826) 7.644 51.347 ( 0.000 -0.255 -8.642) 8.646 51.564 ( 0.000 2.653 1.325) 2.966 51.720 ( 0.000 -0.802 0.606) 1.005 51.727 ( 0.000 -0.941 6.561) 6.628 51.820 ( 0.000 -3.103 0.603) 3.161 51.876 ( 0.000 1.029 -0.075) 1.032 52.032 ( 0.000 -3.023 -0.319) 3.040 52.894 ( 0.000 3.019 0.818) 3.128 53.064 ( 0.000 -1.349 -1.562) 2.064 53.214 ( 0.000 1.455 2.290) 2.713 53.433 ( 0.000 -4.543 0.237) 4.550 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 1.085 -1.865 0.454) 2.204 1.487 ( 2.350 10.314 11.916) 15.934 1.634 ( -0.749 9.717 3.105) 10.229 1.803 ( -2.233 6.880 8.025) 10.804 2.062 ( 5.523 -0.899 -8.269) 9.984 2.253 ( -2.858 -1.223 0.649) 3.176 2.382 ( -0.332 -2.331 2.290) 3.284 2.591 ( 2.919 6.775 1.169) 7.469 2.671 ( 0.287 -3.250 -0.441) 3.292 2.700 ( 0.899 2.680 19.421) 19.626 2.790 ( 8.722 6.951 4.396) 11.989 2.970 ( 6.794 -5.597 6.613) 11.010 3.284 ( -1.878 3.830 1.633) 4.567 3.379 ( -3.431 -3.981 2.380) 5.769 3.633 ( -5.501 -11.427 2.736) 12.974 3.705 ( -4.644 -8.663 6.684) 11.886 4.059 ( 5.782 -3.241 -3.999) 7.742 4.336 ( -0.183 -0.329 -7.654) 7.663 4.625 ( -8.409 2.210 -0.731) 8.725 4.708 ( 1.452 -3.651 -2.251) 4.529 4.722 ( 3.386 -2.769 -0.674) 4.426 4.767 ( -1.656 -1.473 -1.982) 2.974 4.986 ( 2.667 0.336 -2.568) 3.718 5.115 ( -1.698 -1.064 -4.609) 5.026 8.231 ( 13.361 -2.137 -10.742) 17.277 8.455 ( 12.775 -8.438 -9.802) 18.179 9.124 ( 3.716 4.615 2.409) 6.396 9.235 ( 5.958 2.151 0.984) 6.411 9.720 ( -8.206 6.511 -6.035) 12.090 9.785 ( -4.426 8.100 -3.216) 9.775 10.109 ( -6.458 -4.417 3.123) 8.424 10.219 ( -5.836 5.666 0.087) 8.135 10.780 ( 0.052 6.597 -1.574) 6.783 10.880 ( -0.290 7.056 -0.115) 7.063 11.088 ( 0.723 -2.948 7.543) 8.131 11.267 ( -1.700 -0.897 2.597) 3.231 19.770 ( 2.111 5.748 -1.600) 6.329 20.069 ( 2.003 -3.541 -3.616) 5.443 20.946 ( -22.212 -3.525 -8.430) 24.018 20.975 ( -14.612 -5.581 -5.199) 16.483 21.733 ( 3.628 11.529 2.458) 12.333 21.992 ( 2.152 5.259 2.574) 6.238 22.374 ( -9.760 10.541 1.454) 14.439 22.508 ( -8.974 8.742 -1.369) 12.602 23.159 ( 2.654 2.362 -4.808) 5.978 23.278 ( 3.455 -0.155 -0.799) 3.550 23.399 ( 2.011 -0.922 -0.132) 2.216 23.473 ( 4.648 0.483 -2.493) 5.297 23.559 ( 5.669 -3.241 -6.735) 9.381 23.590 ( 8.710 0.075 -2.698) 9.119 23.751 ( 2.293 3.778 3.491) 5.632 23.855 ( 1.820 2.750 4.029) 5.206 24.115 ( 0.299 -5.386 4.233) 6.857 24.228 ( 19.242 -11.023 6.654) 23.152 24.951 ( -7.278 -3.423 3.653) 8.834 25.340 ( -3.822 -13.438 -1.225) 14.024 50.584 ( 0.886 1.063 -0.816) 1.607 50.630 ( 0.959 -0.155 -1.144) 1.500 50.727 ( -1.290 0.149 0.442) 1.372 50.756 ( -0.509 -0.584 0.198) 0.800 51.030 ( 0.473 6.709 -2.755) 7.268 51.349 ( -0.322 0.297 -6.666) 6.680 51.434 ( -8.924 4.594 2.533) 10.352 51.620 ( -4.259 -1.017 3.598) 5.668 51.830 ( 1.426 -1.801 0.096) 2.299 51.871 ( 1.587 0.838 -0.086) 1.797 51.909 ( 6.597 -3.308 1.490) 7.529 52.048 ( 1.329 -3.345 0.081) 3.601 52.912 ( 1.802 3.061 0.756) 3.632 53.088 ( 1.823 -0.816 -2.279) 3.031 53.205 ( -0.474 0.001 2.685) 2.727 53.418 ( -1.576 -4.773 0.041) 5.026 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.727 4.189 5.570) 7.007 1.386 ( -9.815 23.351 10.607) 27.461 1.651 ( 8.208 8.501 12.073) 16.893 1.959 ( 5.664 -1.833 -0.132) 5.955 2.094 ( -0.329 -0.484 0.545) 0.800 2.242 ( -0.412 -3.947 2.948) 4.944 2.379 ( 3.456 0.047 5.302) 6.328 2.600 ( 1.046 -10.033 -0.464) 10.098 2.661 ( -1.731 3.093 1.556) 3.871 2.741 ( 4.528 2.969 11.079) 12.331 2.928 ( 1.613 -0.463 5.777) 6.016 3.127 ( -6.145 -6.594 7.420) 11.675 3.217 ( 5.910 6.112 0.293) 8.507 3.350 ( 4.869 -4.156 0.810) 6.452 3.538 ( -3.342 -5.445 4.518) 7.825 3.649 ( -2.794 -10.063 2.719) 10.792 4.136 ( 2.171 1.906 -6.912) 7.492 4.320 ( -3.091 6.102 -0.763) 6.883 4.461 ( -5.174 -2.172 -1.523) 5.815 4.607 ( -6.787 -0.291 0.463) 6.809 4.841 ( 5.778 -3.123 -2.808) 7.143 4.847 ( 7.013 -3.387 -4.477) 8.983 5.002 ( -1.169 -1.391 -4.467) 4.823 5.064 ( -3.544 -1.493 -3.721) 5.351 8.574 ( 20.847 -1.529 -9.676) 23.034 8.780 ( 19.163 -7.277 -8.545) 22.207 9.202 ( 2.088 3.303 1.940) 4.363 9.315 ( -3.266 -0.275 -2.570) 4.165 9.535 ( -5.372 6.161 -4.331) 9.251 9.677 ( -6.235 9.622 -1.515) 11.565 9.956 ( -7.578 -3.922 0.293) 8.537 10.068 ( -9.059 3.212 0.716) 9.638 10.792 ( 1.339 8.031 0.247) 8.146 10.865 ( -1.366 7.586 0.825) 7.752 11.113 ( 1.931 -0.673 7.170) 7.456 11.221 ( -2.912 -0.123 4.079) 5.014 19.846 ( 6.064 6.388 -3.163) 9.359 20.121 ( 2.036 -0.257 -7.314) 7.597 20.496 ( -18.676 -1.864 -0.481) 18.775 20.673 ( -15.675 -7.167 -2.464) 17.411 21.837 ( 6.917 11.207 1.285) 13.232 22.054 ( 3.845 6.720 1.338) 7.857 22.186 ( -8.793 11.014 2.425) 14.301 22.341 ( -8.595 8.004 0.302) 11.749 23.194 ( 1.744 2.157 -4.003) 4.871 23.278 ( -1.876 1.077 -2.192) 3.080 23.442 ( 2.756 -1.643 -2.529) 4.085 23.532 ( 0.058 0.571 -3.693) 3.737 23.639 ( 4.307 -0.114 -1.314) 4.504 23.712 ( 1.403 5.695 2.791) 6.496 23.895 ( 5.247 -0.388 0.010) 5.261 23.916 ( 6.406 2.395 -1.529) 7.008 24.168 ( 8.253 -4.583 7.726) 12.199 24.638 ( 18.658 -16.663 -0.676) 25.025 24.754 ( -11.015 -4.864 4.524) 12.863 25.221 ( -8.644 -16.079 -1.862) 18.350 50.608 ( 1.582 1.274 -1.417) 2.476 50.653 ( 1.092 0.527 -1.896) 2.251 50.698 ( -1.350 -0.026 -0.366) 1.399 50.737 ( -1.389 -0.498 -0.723) 1.643 51.054 ( 2.219 7.018 0.061) 7.361 51.242 ( -7.574 7.397 3.975) 11.309 51.391 ( 1.914 -1.109 -4.360) 4.889 51.532 ( -4.691 -1.370 1.358) 5.072 51.858 ( 1.329 -0.442 0.191) 1.414 51.881 ( 0.147 1.135 0.128) 1.152 52.020 ( 4.068 -4.556 0.600) 6.137 52.071 ( 0.748 -3.923 0.487) 4.024 52.961 ( 3.238 3.140 0.520) 4.540 53.091 ( -2.038 2.612 -1.399) 3.596 53.229 ( 3.251 -4.823 1.316) 5.964 53.373 ( -2.986 -5.353 -0.280) 6.136 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -1.965 14.275 9.678) 17.358 1.269 ( 1.965 14.275 9.678) 17.358 1.849 ( -10.793 7.174 6.921) 14.692 1.849 ( 10.793 7.174 6.921) 14.692 2.181 ( -4.887 -6.695 3.964) 9.188 2.181 ( 4.887 -6.695 3.964) 9.188 2.513 ( -7.516 7.150 2.042) 10.573 2.513 ( 7.516 7.150 2.042) 10.573 2.775 ( -7.550 -11.586 3.377) 14.235 2.775 ( 7.550 -11.586 3.377) 14.235 2.917 ( -3.683 -2.912 7.023) 8.448 2.917 ( 3.683 -2.912 7.023) 8.448 3.390 ( -5.739 1.367 2.573) 6.436 3.390 ( 5.739 1.367 2.573) 6.436 3.559 ( -6.474 -7.016 0.588) 9.564 3.559 ( 6.474 -7.016 0.588) 9.564 4.198 ( -5.794 6.282 -2.135) 8.809 4.198 ( 5.794 6.282 -2.135) 8.809 4.488 ( -5.060 -1.586 -0.814) 5.365 4.488 ( 5.060 -1.586 -0.814) 5.365 4.943 ( -4.223 -2.503 -4.702) 6.798 4.943 ( 4.223 -2.503 -4.702) 6.798 4.976 ( -5.358 -2.581 -3.466) 6.883 4.976 ( 5.358 -2.581 -3.466) 6.884 8.985 ( -18.776 -0.694 -7.603) 20.269 8.985 ( 18.776 -0.694 -7.603) 20.269 9.136 ( -12.276 -4.146 -5.401) 14.038 9.136 ( 12.276 -4.146 -5.401) 14.038 9.574 ( -4.889 9.569 1.297) 10.823 9.574 ( 4.889 9.569 1.297) 10.823 9.915 ( -4.648 -0.634 -0.235) 4.697 9.915 ( 4.648 -0.634 -0.235) 4.697 10.829 ( -2.166 8.179 1.256) 8.554 10.829 ( 2.166 8.179 1.256) 8.554 11.162 ( -3.009 0.338 5.811) 6.553 11.162 ( 3.009 0.338 5.811) 6.553 20.014 ( -10.821 7.335 -6.934) 14.798 20.014 ( 10.821 7.335 -6.934) 14.798 20.419 ( -8.797 -8.264 1.061) 12.116 20.419 ( 8.797 -8.264 1.061) 12.116 21.990 ( -8.444 11.438 0.168) 14.218 21.990 ( 8.444 11.438 0.168) 14.218 22.187 ( -6.842 6.668 2.466) 9.867 22.187 ( 6.842 6.668 2.466) 9.867 23.234 ( -2.338 1.847 -3.122) 4.315 23.234 ( 2.338 1.847 -3.122) 4.315 23.499 ( -2.792 -1.169 -3.614) 4.714 23.499 ( 2.792 -1.169 -3.614) 4.714 23.704 ( -2.033 3.863 1.731) 4.697 23.704 ( 2.033 3.863 1.731) 4.697 23.952 ( -1.722 1.285 -0.322) 2.173 23.952 ( 1.722 1.285 -0.322) 2.173 24.445 ( -16.682 -3.383 5.027) 17.749 24.445 ( 16.682 -3.383 5.027) 17.749 24.997 ( -14.653 -18.783 -1.970) 23.904 24.997 ( 14.653 -18.783 -1.970) 23.904 50.642 ( -1.763 1.478 -1.912) 2.991 50.642 ( 1.763 1.478 -1.912) 2.991 50.706 ( -1.688 -0.636 -1.073) 2.099 50.706 ( 1.688 -0.636 -1.073) 2.099 51.121 ( -4.820 7.507 2.921) 9.387 51.121 ( 4.820 7.507 2.921) 9.387 51.448 ( -3.799 -1.450 -1.466) 4.323 51.448 ( 3.799 -1.450 -1.466) 4.323 51.877 ( -0.611 0.602 0.269) 0.899 51.877 ( 0.611 0.602 0.269) 0.899 52.069 ( -1.131 -4.374 0.517) 4.548 52.069 ( 1.131 -4.374 0.517) 4.548 53.031 ( -3.669 3.207 -0.008) 4.873 53.031 ( 3.669 3.207 -0.008) 4.873 53.305 ( -3.976 -5.819 -0.148) 7.049 53.305 ( 3.976 -5.819 -0.148) 7.049 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 2.807 -5.831) 6.471 1.351 ( 0.000 -9.446 -4.398) 10.420 1.708 ( 0.000 11.846 9.585) 15.239 1.901 ( 0.000 -6.202 -1.379) 6.354 2.205 ( 0.000 -3.600 -7.163) 8.017 2.233 ( 0.000 -4.891 -8.813) 10.079 2.479 ( 0.000 15.737 5.418) 16.644 2.627 ( 0.000 -0.020 11.797) 11.797 2.649 ( 0.000 -0.179 6.468) 6.470 2.734 ( 0.000 -3.958 16.543) 17.010 2.821 ( 0.000 8.014 10.280) 13.035 2.970 ( 0.000 12.918 4.768) 13.770 3.239 ( 0.000 -4.363 -1.706) 4.685 3.407 ( 0.000 -5.494 0.358) 5.506 3.530 ( 0.000 -7.802 4.099) 8.813 3.530 ( 0.000 -7.333 9.666) 12.133 4.008 ( 0.000 9.449 -2.011) 9.661 4.228 ( 0.000 -9.736 -8.614) 13.000 4.615 ( 0.000 -2.082 -2.323) 3.120 4.616 ( 0.000 -1.730 -2.714) 3.219 4.736 ( 0.000 2.743 3.675) 4.586 4.799 ( 0.000 -2.897 -0.625) 2.964 5.019 ( 0.000 4.923 -3.194) 5.869 5.098 ( 0.000 -2.637 -4.151) 4.918 8.093 ( 0.000 2.122 -11.763) 11.953 8.176 ( 0.000 -5.938 -11.415) 12.867 9.161 ( 0.000 2.576 0.642) 2.655 9.189 ( 0.000 -0.173 0.655) 0.677 9.889 ( 0.000 3.324 -6.139) 6.981 9.947 ( 0.000 -0.412 -5.540) 5.556 10.185 ( 0.000 6.661 5.759) 8.806 10.313 ( 0.000 -3.398 -0.019) 3.398 10.892 ( 0.000 5.145 -0.073) 5.145 10.982 ( 0.000 -2.897 1.727) 3.373 11.051 ( 0.000 7.068 5.627) 9.035 11.205 ( 0.000 -6.384 3.462) 7.262 19.858 ( 0.000 5.026 -1.107) 5.147 19.958 ( 0.000 -4.892 -1.218) 5.041 21.067 ( 0.000 -0.186 -9.465) 9.467 21.105 ( 0.000 -3.843 -12.152) 12.745 21.910 ( 0.000 8.370 3.199) 8.960 22.012 ( 0.000 -1.422 3.087) 3.399 22.622 ( 0.000 4.820 -0.836) 4.892 22.684 ( 0.000 -1.382 -1.311) 1.905 23.167 ( 0.000 6.771 -0.022) 6.771 23.255 ( 0.000 0.335 -4.186) 4.199 23.369 ( 0.000 0.174 -3.943) 3.947 23.407 ( 0.000 -1.698 -2.324) 2.878 23.418 ( 0.000 -0.159 -2.084) 2.090 23.469 ( 0.000 -4.428 -6.394) 7.778 23.844 ( 0.000 3.531 4.389) 5.633 23.859 ( 0.000 0.482 7.588) 7.603 23.960 ( 0.000 -0.440 9.746) 9.756 24.015 ( 0.000 -4.283 3.840) 5.752 25.012 ( 0.000 3.049 1.605) 3.445 25.146 ( 0.000 -9.664 -0.097) 9.665 50.594 ( 0.000 0.888 -0.637) 1.093 50.610 ( 0.000 -0.671 -0.632) 0.921 50.744 ( 0.000 0.194 0.906) 0.927 50.749 ( 0.000 -0.369 0.795) 0.876 51.166 ( 0.000 6.889 -5.229) 8.648 51.291 ( 0.000 -5.023 -7.450) 8.985 51.626 ( 0.000 3.286 2.824) 4.332 51.687 ( 0.000 -2.475 2.713) 3.672 51.724 ( 0.000 0.947 3.922) 4.035 51.761 ( 0.000 -2.519 1.326) 2.847 51.917 ( 0.000 2.557 -0.918) 2.717 51.973 ( 0.000 -2.892 -1.178) 3.123 52.958 ( 0.000 3.229 0.554) 3.276 53.020 ( 0.000 -2.797 -0.064) 2.798 53.265 ( 0.000 3.361 0.703) 3.433 53.343 ( 0.000 -4.273 0.161) 4.276 ======================= Grid point 92 (38/80) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 7.386 6.066 -1.519) 9.678 1.480 ( 11.512 -10.006 0.049) 15.253 1.737 ( 3.872 11.213 6.747) 13.647 1.954 ( 4.883 -8.534 1.252) 9.912 2.120 ( -7.856 6.112 0.185) 9.955 2.259 ( -0.848 -7.407 -4.166) 8.540 2.353 ( -8.010 16.463 -1.139) 18.344 2.584 ( -2.786 -2.727 8.036) 8.931 2.657 ( -0.201 1.710 6.352) 6.581 2.736 ( 0.352 -0.540 13.040) 13.055 2.840 ( 3.073 0.003 11.143) 11.559 3.005 ( -2.691 -8.623 4.420) 10.056 3.266 ( 5.859 8.018 0.926) 9.973 3.382 ( -2.188 0.789 0.369) 2.355 3.480 ( -2.038 -2.297 4.673) 5.592 3.559 ( -0.963 -8.045 6.052) 10.113 4.062 ( 5.374 5.171 -2.356) 7.821 4.228 ( 0.575 -8.908 -6.598) 11.100 4.636 ( 0.328 0.016 -1.923) 1.951 4.661 ( 2.643 -2.153 -3.867) 5.155 4.708 ( -0.699 2.109 2.430) 3.293 4.750 ( -3.320 -1.341 0.055) 3.581 5.021 ( -0.323 2.922 -3.907) 4.889 5.081 ( -1.821 -2.480 -4.168) 5.181 8.230 ( 13.573 2.057 -11.299) 17.780 8.310 ( 13.280 -5.696 -10.976) 18.146 9.204 ( 4.165 3.203 1.055) 5.359 9.247 ( 5.148 -0.865 0.516) 5.246 9.802 ( -8.249 4.140 -6.599) 11.346 9.881 ( -6.554 -2.196 -6.064) 9.195 10.125 ( -5.906 6.754 4.867) 10.207 10.246 ( -6.639 -3.195 0.165) 7.369 10.908 ( 1.582 5.842 0.677) 6.090 11.004 ( 1.904 -1.690 2.203) 3.367 11.050 ( -0.117 5.770 5.943) 8.284 11.195 ( -1.012 -6.018 3.938) 7.263 19.879 ( 2.364 5.094 -1.522) 5.818 19.980 ( 2.406 -4.870 -1.604) 5.664 20.893 ( -17.209 -1.310 -9.025) 19.476 20.900 ( -17.150 -1.979 -8.939) 19.441 21.939 ( 3.194 8.148 2.813) 9.193 22.038 ( 2.734 -1.223 2.985) 4.228 22.546 ( -7.229 6.175 0.017) 9.507 22.607 ( -7.259 0.702 -1.268) 7.402 23.220 ( 2.207 3.715 -2.795) 5.146 23.288 ( 2.909 -1.298 -3.519) 4.747 23.376 ( -0.111 1.586 -3.955) 4.262 23.464 ( 1.426 -4.915 -6.360) 8.163 23.510 ( 10.011 1.971 -0.555) 10.219 23.560 ( 12.036 -2.429 -1.647) 12.388 23.862 ( 1.314 5.465 3.643) 6.699 23.900 ( 3.574 1.606 5.681) 6.902 24.026 ( 2.047 -3.069 4.960) 6.182 24.053 ( 9.709 -6.132 7.847) 13.908 24.945 ( -6.808 3.458 1.573) 7.796 25.091 ( -5.649 -10.423 -0.244) 11.858 50.604 ( 1.012 0.932 -0.909) 1.649 50.621 ( 1.068 -0.674 -0.911) 1.557 50.734 ( -0.971 0.462 0.353) 1.131 50.744 ( -0.592 -0.560 0.354) 0.888 51.170 ( 0.593 6.903 -4.146) 8.074 51.295 ( 0.533 -4.998 -6.244) 8.016 51.525 ( -7.491 4.042 3.396) 9.164 51.589 ( -5.573 -2.210 3.918) 7.161 51.810 ( 3.524 0.136 0.792) 3.615 51.837 ( 5.946 -2.375 1.424) 6.559 51.922 ( 0.436 2.654 -0.577) 2.751 51.982 ( 0.776 -3.178 -0.688) 3.343 52.977 ( 1.971 3.371 0.500) 3.937 53.044 ( 2.347 -3.039 -0.223) 3.846 53.244 ( -2.033 3.292 0.707) 3.933 53.324 ( -1.939 -4.404 0.053) 4.812 ======================= Grid point 93 (39/80) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 7.954 13.006 6.315) 16.501 1.702 ( 9.481 -4.927 9.161) 14.075 1.884 ( 9.039 8.207 1.878) 12.353 1.894 ( -10.995 13.672 10.864) 20.636 2.088 ( 6.284 -10.927 2.952) 12.947 2.173 ( -5.163 -11.340 6.460) 14.035 2.231 ( -5.661 11.930 -5.096) 14.154 2.545 ( -3.662 -8.861 -1.042) 9.645 2.660 ( 0.029 0.354 3.930) 3.946 2.767 ( 4.999 -3.751 8.012) 10.162 2.854 ( -4.474 0.945 7.784) 9.028 2.940 ( -0.325 -6.079 7.984) 10.040 3.347 ( -0.392 4.041 0.017) 4.060 3.390 ( 3.938 3.047 0.290) 4.987 3.450 ( -0.740 -2.245 3.100) 3.899 3.499 ( -4.446 -4.735 4.219) 7.746 4.183 ( 6.679 3.934 -2.671) 8.198 4.291 ( 6.430 -5.644 -2.107) 8.811 4.527 ( -8.922 5.276 0.490) 10.376 4.597 ( -6.980 -1.474 -0.874) 7.187 4.792 ( 6.657 -0.959 -2.378) 7.134 4.801 ( 5.992 -1.523 -3.621) 7.165 4.992 ( -2.802 0.604 -4.734) 5.534 5.025 ( -4.025 -2.213 -4.088) 6.149 8.579 ( 21.178 2.024 -10.033) 23.521 8.653 ( 20.700 -5.086 -9.690) 23.415 9.260 ( -2.358 2.334 -0.606) 3.372 9.297 ( -4.669 -1.338 -2.515) 5.469 9.655 ( -2.222 5.578 -4.260) 7.362 9.750 ( -3.419 -2.900 -5.588) 7.164 9.971 ( -9.475 5.649 3.322) 11.521 10.072 ( -10.731 -2.972 0.210) 11.137 10.948 ( 2.350 6.989 2.402) 7.755 11.024 ( -0.720 7.294 4.114) 8.405 11.066 ( 2.432 -3.461 5.153) 6.666 11.166 ( -1.976 -5.167 4.816) 7.335 19.963 ( 6.673 5.301 -2.761) 8.958 20.063 ( 6.440 -4.457 -2.821) 8.324 20.497 ( -19.969 1.622 -6.383) 21.027 20.557 ( -17.616 -4.285 -5.578) 18.968 22.034 ( 6.482 7.559 2.057) 10.168 22.120 ( 5.691 -0.528 2.481) 6.231 22.373 ( -9.842 6.719 0.736) 11.939 22.436 ( -9.581 0.858 0.259) 9.623 23.257 ( 2.065 4.213 -3.845) 6.066 23.329 ( 0.320 2.402 -4.598) 5.197 23.371 ( 0.841 -2.791 -4.068) 5.005 23.460 ( -1.538 -5.994 -6.236) 8.785 23.707 ( 8.548 5.431 2.535) 10.440 23.804 ( 8.682 -1.643 1.978) 9.055 23.879 ( 0.828 3.547 2.938) 4.680 23.958 ( 0.983 -1.197 2.244) 2.727 24.145 ( 12.631 4.271 5.178) 14.304 24.330 ( 17.112 -12.764 2.390) 21.481 24.752 ( -12.920 4.410 1.582) 13.744 24.927 ( -11.235 -12.260 -0.498) 16.637 50.632 ( 1.755 1.046 -1.441) 2.500 50.650 ( 1.834 -0.671 -1.469) 2.444 50.707 ( -1.696 0.809 -0.759) 2.027 50.724 ( -1.471 -0.785 -0.766) 1.835 51.197 ( 2.410 6.896 -1.325) 7.424 51.318 ( 1.846 -4.244 -3.044) 5.540 51.385 ( -6.477 5.058 3.225) 8.828 51.480 ( -5.503 -3.758 2.620) 7.161 51.873 ( 2.740 1.968 0.162) 3.377 51.920 ( 1.084 1.215 -0.450) 1.690 51.938 ( 2.529 -2.102 0.710) 3.364 51.993 ( 0.185 -3.675 -0.066) 3.680 53.032 ( 3.481 3.711 0.353) 5.100 53.105 ( 3.552 -2.822 -0.670) 4.586 53.191 ( -3.182 2.453 0.847) 4.106 53.271 ( -3.469 -4.704 -0.132) 5.846 ======================= Grid point 94 (40/80) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -10.365 18.988 10.628) 24.102 1.628 ( 10.365 18.988 10.628) 24.102 1.934 ( -10.959 -7.167 12.264) 17.940 1.934 ( 10.959 -7.167 12.264) 17.940 2.086 ( -9.107 5.779 -0.441) 10.795 2.086 ( 9.107 5.779 -0.441) 10.795 2.362 ( -13.195 -18.288 -0.017) 22.551 2.362 ( 13.195 -18.288 -0.017) 22.551 2.731 ( -6.510 9.342 3.672) 11.964 2.731 ( 6.510 9.342 3.672) 11.964 2.895 ( -5.525 -4.963 6.437) 9.828 2.895 ( 5.525 -4.963 6.437) 9.828 3.384 ( -3.538 0.697 1.199) 3.800 3.384 ( 3.538 0.697 1.199) 3.800 3.446 ( -0.382 -4.580 1.801) 4.937 3.446 ( 0.382 -4.580 1.801) 4.937 4.340 ( -9.356 6.881 -0.541) 11.626 4.340 ( 9.356 6.881 -0.541) 11.626 4.445 ( -8.231 -3.278 -0.807) 8.896 4.445 ( 8.231 -3.278 -0.807) 8.896 4.909 ( -3.383 -0.442 -4.570) 5.703 4.909 ( 3.383 -0.442 -4.570) 5.703 4.928 ( -4.266 -2.065 -3.782) 6.063 4.928 ( 4.266 -2.065 -3.782) 6.063 8.997 ( -19.397 1.834 -7.683) 20.944 8.997 ( 19.397 1.834 -7.683) 20.944 9.054 ( -17.614 -3.659 -7.098) 19.340 9.054 ( 17.614 -3.659 -7.098) 19.340 9.749 ( -7.194 7.407 0.230) 10.329 9.749 ( 7.194 7.407 0.230) 10.329 9.867 ( -7.718 -4.134 -0.206) 8.758 9.867 ( 7.718 -4.134 -0.206) 8.758 10.993 ( -2.156 7.658 4.007) 8.908 10.993 ( 2.156 7.658 4.007) 8.908 11.120 ( -2.737 -4.422 5.114) 7.293 11.120 ( 2.737 -4.422 5.114) 7.293 20.145 ( -10.265 5.933 -5.512) 13.075 20.145 ( 10.265 5.933 -5.512) 13.075 20.269 ( -9.352 -6.631 -2.671) 11.771 20.269 ( 9.352 -6.631 -2.671) 11.771 22.185 ( -8.625 7.150 1.124) 11.259 22.185 ( 8.625 7.150 1.124) 11.259 22.259 ( -8.006 0.038 1.863) 8.220 22.259 ( 8.006 0.038 1.863) 8.220 23.301 ( -2.261 4.809 -4.319) 6.848 23.301 ( 2.261 4.809 -4.319) 6.848 23.415 ( -2.748 -5.856 -5.126) 8.254 23.415 ( 2.748 -5.856 -5.126) 8.254 23.823 ( -3.511 6.781 3.605) 8.444 23.823 ( 3.511 6.781 3.605) 8.444 23.938 ( -2.867 -3.546 2.747) 5.324 23.938 ( 2.867 -3.546 2.747) 5.324 24.457 ( -16.964 5.480 2.101) 17.950 24.457 ( 16.964 5.480 2.101) 17.950 24.661 ( -15.958 -13.936 -0.149) 21.187 24.661 ( 15.958 -13.936 -0.149) 21.187 50.669 ( -1.859 1.170 -1.626) 2.733 50.669 ( 1.859 1.170 -1.626) 2.733 50.690 ( -1.855 -0.911 -1.467) 2.534 50.690 ( 1.855 -0.911 -1.467) 2.534 51.267 ( -4.741 6.706 1.656) 8.378 51.267 ( 4.741 6.706 1.656) 8.378 51.384 ( -4.115 -4.684 0.132) 6.236 51.384 ( 4.115 -4.684 0.132) 6.236 51.912 ( -1.288 2.765 -0.034) 3.051 51.912 ( 1.288 2.765 -0.034) 3.051 51.982 ( -1.413 -4.020 0.197) 4.266 51.982 ( 1.413 -4.020 0.197) 4.266 53.105 ( -3.725 4.103 0.015) 5.542 53.105 ( 3.725 4.103 0.015) 5.542 53.196 ( -3.896 -4.924 0.023) 6.279 53.196 ( 3.896 -4.924 0.023) 6.279 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 0.000 16.871) 16.871 1.039 ( 0.000 0.000 22.611) 22.611 1.517 ( 0.000 0.000 -7.501) 7.501 1.939 ( 0.000 0.000 35.405) 35.405 2.051 ( 0.000 0.000 -0.719) 0.719 2.142 ( 0.000 0.000 1.267) 1.267 2.302 ( 0.000 0.000 12.506) 12.506 2.353 ( 0.000 0.000 -4.485) 4.485 2.817 ( 0.000 0.000 8.732) 8.732 3.087 ( 0.000 0.000 11.070) 11.070 3.393 ( 0.000 0.000 9.940) 9.940 3.440 ( 0.000 0.000 9.265) 9.265 3.577 ( 0.000 0.000 0.491) 0.491 3.705 ( 0.000 0.000 -2.828) 2.828 3.802 ( 0.000 0.000 -8.747) 8.747 3.837 ( 0.000 0.000 5.869) 5.869 3.960 ( 0.000 0.000 0.423) 0.423 4.134 ( 0.000 0.000 -3.169) 3.169 4.345 ( 0.000 0.000 -10.729) 10.729 4.403 ( 0.000 0.000 -8.137) 8.137 4.718 ( 0.000 0.000 -3.397) 3.397 4.806 ( 0.000 0.000 -7.403) 7.403 5.058 ( 0.000 0.000 -6.644) 6.644 5.187 ( 0.000 0.000 -3.456) 3.456 8.361 ( 0.000 0.000 -1.902) 1.902 8.674 ( 0.000 0.000 -9.964) 9.964 8.866 ( 0.000 0.000 4.425) 4.425 8.998 ( 0.000 0.000 -0.323) 0.323 9.073 ( 0.000 0.000 0.608) 0.608 9.514 ( 0.000 0.000 2.043) 2.043 10.126 ( 0.000 0.000 -7.770) 7.770 10.296 ( 0.000 0.000 1.869) 1.869 10.434 ( 0.000 0.000 5.576) 5.576 10.615 ( 0.000 0.000 -6.650) 6.650 11.018 ( 0.000 0.000 -1.605) 1.605 11.279 ( 0.000 0.000 0.402) 0.402 19.495 ( 0.000 0.000 1.081) 1.081 19.530 ( 0.000 0.000 0.207) 0.207 21.268 ( 0.000 0.000 2.618) 2.618 21.570 ( 0.000 0.000 -5.274) 5.274 21.698 ( 0.000 0.000 1.453) 1.453 21.758 ( 0.000 0.000 9.103) 9.103 21.847 ( 0.000 0.000 -2.726) 2.726 22.237 ( 0.000 0.000 -4.488) 4.488 22.980 ( 0.000 0.000 6.415) 6.415 23.266 ( 0.000 0.000 0.263) 0.263 23.308 ( 0.000 0.000 0.981) 0.981 23.454 ( 0.000 0.000 -4.555) 4.555 23.462 ( 0.000 0.000 -2.812) 2.812 23.491 ( 0.000 0.000 3.894) 3.894 23.549 ( 0.000 0.000 -8.476) 8.476 23.691 ( 0.000 0.000 -2.059) 2.059 24.429 ( 0.000 0.000 3.156) 3.156 24.620 ( 0.000 0.000 -2.476) 2.476 25.401 ( 0.000 0.000 7.350) 7.350 25.820 ( 0.000 0.000 -5.073) 5.073 50.529 ( 0.000 0.000 0.781) 0.781 50.542 ( 0.000 0.000 0.452) 0.452 50.791 ( 0.000 0.000 3.317) 3.317 50.808 ( 0.000 0.000 -0.357) 0.357 50.810 ( 0.000 0.000 -0.415) 0.415 51.117 ( 0.000 0.000 -6.642) 6.642 51.464 ( 0.000 0.000 0.633) 0.633 51.556 ( 0.000 0.000 -1.579) 1.579 51.797 ( 0.000 0.000 4.551) 4.551 51.935 ( 0.000 0.000 -0.372) 0.372 52.020 ( 0.000 0.000 2.208) 2.208 52.192 ( 0.000 0.000 -2.596) 2.596 52.823 ( 0.000 0.000 2.063) 2.063 52.994 ( 0.000 0.000 -3.118) 3.118 53.325 ( 0.000 0.000 5.044) 5.044 53.637 ( 0.000 0.000 -4.170) 4.170 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 16.212 0.000 12.954) 20.752 1.178 ( 13.194 0.000 19.518) 23.559 1.598 ( 7.952 0.000 -7.027) 10.612 1.922 ( -3.704 0.000 22.125) 22.433 2.034 ( 5.794 0.000 9.365) 11.012 2.079 ( -6.117 0.000 2.056) 6.453 2.340 ( -2.187 0.000 -5.125) 5.572 2.437 ( 6.293 0.000 14.018) 15.366 2.700 ( -9.506 0.000 6.297) 11.403 3.048 ( -5.053 0.000 10.362) 11.528 3.304 ( -9.581 0.000 8.727) 12.959 3.416 ( 3.025 0.000 6.659) 7.314 3.596 ( 1.958 0.000 0.617) 2.053 3.702 ( 0.169 0.000 -1.893) 1.900 3.793 ( -1.279 0.000 -0.304) 1.315 3.825 ( -1.323 0.000 4.893) 5.068 4.088 ( 10.221 0.000 -1.216) 10.293 4.097 ( -3.776 0.000 -3.059) 4.860 4.280 ( -6.135 0.000 -6.909) 9.240 4.558 ( 7.288 0.000 -6.266) 9.611 4.649 ( 0.736 0.000 -5.368) 5.418 4.841 ( 1.949 0.000 -7.778) 8.018 5.029 ( -2.176 0.000 -5.765) 6.162 5.203 ( 0.443 0.000 -5.491) 5.509 8.498 ( 13.650 0.000 -1.158) 13.699 8.839 ( 16.146 0.000 -9.803) 18.889 8.906 ( 3.755 0.000 4.204) 5.637 9.004 ( 0.827 0.000 1.231) 1.483 9.089 ( 1.505 0.000 -0.136) 1.511 9.480 ( -3.508 0.000 2.615) 4.376 10.141 ( 1.694 0.000 -8.842) 9.003 10.172 ( -12.251 0.000 2.603) 12.524 10.428 ( -0.937 0.000 2.451) 2.624 10.520 ( -9.717 0.000 -6.792) 11.855 11.013 ( -0.049 0.000 0.498) 0.500 11.260 ( -2.060 0.000 1.314) 2.444 19.499 ( 0.342 0.000 1.030) 1.085 19.529 ( -0.123 0.000 0.270) 0.297 21.291 ( 2.177 0.000 1.527) 2.659 21.515 ( -7.063 0.000 0.606) 7.089 21.628 ( -14.330 0.000 7.018) 15.956 21.699 ( 0.168 0.000 1.169) 1.181 21.725 ( -27.846 0.000 11.637) 30.180 21.826 ( -1.983 0.000 -2.394) 3.108 23.028 ( 3.610 0.000 0.005) 3.610 23.319 ( 1.080 0.000 0.960) 1.445 23.348 ( -0.788 0.000 -2.643) 2.758 23.437 ( -1.636 0.000 -0.227) 1.652 23.527 ( 2.584 0.000 1.125) 2.818 23.544 ( 7.350 0.000 -4.332) 8.532 23.681 ( 11.377 0.000 -6.840) 13.275 23.685 ( -0.643 0.000 -1.948) 2.051 24.443 ( 2.401 0.000 5.368) 5.880 24.914 ( 21.497 0.000 -13.670) 25.476 25.357 ( -3.053 0.000 6.765) 7.422 25.814 ( -0.828 0.000 -6.163) 6.218 50.530 ( 0.087 0.000 0.759) 0.764 50.541 ( -0.085 0.000 0.474) 0.482 50.790 ( -0.018 0.000 3.664) 3.664 50.808 ( 0.015 0.000 -0.362) 0.362 50.810 ( -0.023 0.000 -0.412) 0.412 51.100 ( -4.082 0.000 -2.924) 5.021 51.259 ( -8.206 0.000 4.886) 9.550 51.551 ( -4.165 0.000 -3.276) 5.299 51.860 ( 3.253 0.000 1.306) 3.506 51.944 ( 0.530 0.000 -0.332) 0.625 52.096 ( 6.005 0.000 0.844) 6.064 52.212 ( 1.617 0.000 -2.041) 2.604 52.838 ( 1.595 0.000 1.869) 2.457 52.997 ( -0.137 0.000 -2.974) 2.978 53.379 ( 4.799 0.000 2.054) 5.220 53.624 ( -1.250 0.000 -3.826) 4.025 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 19.377 0.000 7.994) 20.962 1.497 ( 18.548 0.000 14.511) 23.550 1.800 ( 12.120 0.000 -6.151) 13.591 1.915 ( -10.739 0.000 3.376) 11.257 1.922 ( 2.985 0.000 11.305) 11.693 2.128 ( 0.728 0.000 13.557) 13.577 2.243 ( -7.976 0.000 -5.629) 9.762 2.338 ( -13.715 0.000 12.964) 18.872 2.652 ( 4.254 0.000 3.307) 5.388 2.922 ( -7.202 0.000 7.519) 10.411 3.183 ( -0.222 0.000 14.318) 14.319 3.456 ( -2.563 0.000 3.692) 4.494 3.645 ( 2.812 0.000 1.133) 3.032 3.728 ( 1.879 0.000 0.060) 1.880 3.780 ( 2.153 0.000 7.839) 8.129 3.793 ( -0.825 0.000 2.182) 2.333 3.996 ( -6.358 0.000 -2.656) 6.890 4.098 ( -11.155 0.000 2.456) 11.422 4.286 ( 9.383 0.000 -3.326) 9.955 4.526 ( -3.338 0.000 -3.614) 4.920 4.862 ( 10.387 0.000 -10.798) 14.983 4.884 ( 4.339 0.000 -6.770) 8.041 4.985 ( -2.439 0.000 -5.790) 6.283 5.177 ( -3.454 0.000 -7.299) 8.075 8.857 ( 22.216 0.000 0.573) 22.223 8.983 ( 3.352 0.000 3.083) 4.554 9.030 ( 1.268 0.000 3.829) 4.033 9.136 ( 4.103 0.000 -0.112) 4.104 9.236 ( 22.073 0.000 -9.571) 24.058 9.384 ( -6.166 0.000 3.037) 6.873 9.858 ( -18.168 0.000 3.796) 18.560 10.196 ( 3.975 0.000 -10.150) 10.900 10.243 ( -18.536 0.000 -6.797) 19.743 10.383 ( -3.871 0.000 -4.366) 5.835 11.036 ( 2.647 0.000 4.458) 5.185 11.199 ( -4.093 0.000 3.515) 5.395 19.507 ( 0.522 0.000 0.883) 1.026 19.525 ( -0.301 0.000 0.442) 0.534 21.219 ( -12.516 0.000 19.038) 22.784 21.303 ( -11.467 0.000 9.483) 14.880 21.362 ( 2.899 0.000 -0.615) 2.963 21.538 ( -5.059 0.000 -4.981) 7.099 21.708 ( 0.821 0.000 0.422) 0.923 21.779 ( -2.594 0.000 -1.572) 3.033 23.111 ( 4.800 0.000 -0.101) 4.801 23.298 ( -3.829 0.000 -0.706) 3.894 23.345 ( 1.550 0.000 0.920) 1.802 23.406 ( -1.539 0.000 0.510) 1.621 23.580 ( 2.760 0.000 -0.091) 2.761 23.665 ( 6.117 0.000 -5.898) 8.497 23.665 ( -1.430 0.000 -1.598) 2.144 23.829 ( 1.955 0.000 -8.714) 8.931 24.570 ( 11.150 0.000 9.383) 14.573 25.059 ( -7.554 0.000 2.633) 7.999 25.458 ( 12.923 0.000 -11.995) 17.632 25.776 ( -3.412 0.000 -8.931) 9.560 50.532 ( 0.150 0.000 0.698) 0.714 50.539 ( -0.149 0.000 0.534) 0.554 50.799 ( 1.263 0.000 4.538) 4.710 50.808 ( 0.029 0.000 -0.373) 0.374 50.810 ( -0.036 0.000 -0.401) 0.403 50.953 ( -7.438 0.000 6.320) 9.761 51.245 ( 3.186 0.000 -3.297) 4.585 51.443 ( -6.114 0.000 -3.934) 7.270 51.906 ( 1.821 0.000 1.115) 2.135 51.948 ( -0.217 0.000 0.291) 0.363 52.191 ( 3.445 0.000 -0.002) 3.445 52.237 ( 0.644 0.000 -0.937) 1.137 52.881 ( 2.648 0.000 1.196) 2.906 52.978 ( -1.721 0.000 -1.564) 2.326 53.475 ( 4.423 0.000 -1.357) 4.627 53.592 ( -2.033 0.000 -3.210) 3.799 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -15.946 0.000 5.017) 16.716 1.656 ( 15.946 0.000 5.017) 16.716 1.847 ( -15.270 0.000 10.247) 18.389 1.847 ( 15.270 0.000 10.247) 18.389 2.043 ( -12.105 0.000 -5.657) 13.362 2.043 ( 12.105 0.000 -5.657) 13.362 2.132 ( -6.144 0.000 12.931) 14.317 2.132 ( 6.144 0.000 12.931) 14.317 2.773 ( -7.644 0.000 3.721) 8.502 2.773 ( 7.644 0.000 3.721) 8.502 3.304 ( -10.194 0.000 12.163) 15.870 3.304 ( 10.194 0.000 12.163) 15.870 3.702 ( -3.021 0.000 2.180) 3.725 3.702 ( 3.021 0.000 2.180) 3.725 3.866 ( -6.508 0.000 -1.829) 6.760 3.866 ( 6.508 0.000 -1.829) 6.760 3.898 ( -8.856 0.000 6.542) 11.010 3.898 ( 8.856 0.000 6.542) 11.010 4.438 ( -6.171 0.000 -4.295) 7.519 4.438 ( 6.171 0.000 -4.295) 7.519 4.932 ( -2.930 0.000 -6.658) 7.274 4.932 ( 2.930 0.000 -6.658) 7.274 5.066 ( -7.972 0.000 -8.604) 11.729 5.066 ( 7.972 0.000 -8.604) 11.729 9.028 ( -1.379 0.000 3.179) 3.465 9.028 ( 1.379 0.000 3.179) 3.465 9.252 ( -7.036 0.000 2.138) 7.354 9.252 ( 7.036 0.000 2.138) 7.354 9.299 ( -20.305 0.000 -0.326) 20.308 9.299 ( 20.305 0.000 -0.326) 20.308 9.839 ( -20.446 0.000 -4.898) 21.025 9.839 ( 20.446 0.000 -4.898) 21.025 10.289 ( -5.277 0.000 -9.076) 10.498 10.289 ( 5.277 0.000 -9.076) 10.498 11.111 ( -4.663 0.000 5.396) 7.132 11.111 ( 4.663 0.000 5.396) 7.132 19.517 ( -0.480 0.000 0.669) 0.823 19.517 ( 0.480 0.000 0.669) 0.823 21.141 ( -3.450 0.000 14.468) 14.874 21.141 ( 3.450 0.000 14.468) 14.874 21.444 ( -4.733 0.000 -4.142) 6.290 21.444 ( 4.733 0.000 -4.142) 6.290 21.734 ( -1.887 0.000 -0.561) 1.969 21.734 ( 1.887 0.000 -0.561) 1.969 23.209 ( -5.107 0.000 0.340) 5.118 23.209 ( 5.107 0.000 0.340) 5.118 23.376 ( -1.575 0.000 0.810) 1.771 23.376 ( 1.575 0.000 0.810) 1.771 23.629 ( -2.260 0.000 -0.977) 2.462 23.629 ( 2.260 0.000 -0.977) 2.462 23.782 ( -5.301 0.000 -8.087) 9.669 23.782 ( 5.301 0.000 -8.087) 9.669 24.830 ( -14.039 0.000 8.812) 16.575 24.830 ( 14.039 0.000 8.812) 16.575 25.669 ( -8.009 0.000 -12.482) 14.830 25.669 ( 8.009 0.000 -12.482) 14.830 50.535 ( -0.173 0.000 0.616) 0.640 50.535 ( 0.173 0.000 0.616) 0.640 50.809 ( -0.038 0.000 -0.387) 0.389 50.809 ( 0.038 0.000 -0.387) 0.389 50.846 ( -3.771 0.000 5.707) 6.840 50.846 ( 3.771 0.000 5.707) 6.840 51.330 ( -5.291 0.000 -4.207) 6.760 51.330 ( 5.291 0.000 -4.207) 6.760 51.935 ( -1.119 0.000 0.923) 1.451 51.935 ( 1.119 0.000 0.923) 1.451 52.233 ( -1.082 0.000 -0.279) 1.118 52.233 ( 1.082 0.000 -0.279) 1.118 52.934 ( -2.682 0.000 0.024) 2.682 52.934 ( 2.682 0.000 0.024) 2.682 53.545 ( -2.907 0.000 -2.598) 3.899 53.545 ( 2.907 0.000 -2.598) 3.899 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 24.450 12.840) 27.617 1.204 ( 0.000 15.132 17.941) 23.470 1.647 ( 0.000 10.052 -3.716) 10.717 1.832 ( 0.000 -16.786 -2.197) 16.929 1.997 ( 0.000 4.871 37.929) 38.240 2.175 ( 0.000 2.922 0.202) 2.929 2.244 ( 0.000 -7.941 1.394) 8.062 2.308 ( 0.000 0.299 3.714) 3.726 2.827 ( 0.000 0.742 8.511) 8.543 2.973 ( 0.000 -10.489 5.114) 11.670 3.267 ( 0.000 -17.696 -4.480) 18.254 3.393 ( 0.000 -1.311 11.903) 11.975 3.394 ( 0.000 -0.654 10.737) 10.757 3.670 ( 0.000 -2.487 5.678) 6.199 3.911 ( 0.000 5.005 1.320) 5.176 3.955 ( 0.000 -2.388 1.520) 2.831 4.108 ( 0.000 -1.962 -3.051) 3.627 4.143 ( 0.000 16.143 -4.082) 16.651 4.388 ( 0.000 4.292 -12.131) 12.867 4.392 ( 0.000 0.019 -10.845) 10.845 4.723 ( 0.000 0.424 -4.166) 4.188 4.789 ( 0.000 -1.431 -6.573) 6.727 5.046 ( 0.000 -1.169 -6.541) 6.644 5.115 ( 0.000 -6.454 -2.554) 6.941 8.214 ( 0.000 -11.130 -4.122) 11.869 8.540 ( 0.000 -11.063 -11.064) 15.646 8.947 ( 0.000 5.279 3.817) 6.514 9.061 ( 0.000 4.626 -0.020) 4.626 9.210 ( 0.000 12.703 2.357) 12.920 9.591 ( 0.000 5.374 0.708) 5.420 10.045 ( 0.000 -2.522 -5.828) 6.350 10.455 ( 0.000 11.105 0.669) 11.125 10.488 ( 0.000 -1.266 -8.736) 8.827 10.508 ( 0.000 -1.690 7.774) 7.956 11.121 ( 0.000 7.594 -1.480) 7.737 11.285 ( 0.000 0.197 0.941) 0.961 19.533 ( 0.000 3.515 0.768) 3.597 19.686 ( 0.000 12.068 -6.229) 13.581 21.323 ( 0.000 4.291 2.693) 5.066 21.514 ( 0.000 -14.532 -0.212) 14.534 21.520 ( 0.000 -12.320 2.268) 12.527 21.638 ( 0.000 6.421 -4.958) 8.113 22.067 ( 0.000 11.783 2.304) 12.007 22.341 ( 0.000 7.369 -4.800) 8.794 22.995 ( 0.000 1.535 6.380) 6.562 23.249 ( 0.000 -1.561 1.315) 2.040 23.316 ( 0.000 0.723 -0.207) 0.752 23.429 ( 0.000 -1.314 -4.016) 4.226 23.485 ( 0.000 0.925 -3.116) 3.250 23.486 ( 0.000 -0.737 1.168) 1.382 23.577 ( 0.000 3.002 -4.786) 5.650 23.709 ( 0.000 1.912 -2.080) 2.825 24.398 ( 0.000 -3.055 3.292) 4.491 24.522 ( 0.000 -8.022 2.172) 8.311 25.356 ( 0.000 -4.207 7.204) 8.342 25.753 ( 0.000 -6.367 -4.290) 7.678 50.544 ( 0.000 0.265 0.274) 0.381 50.550 ( 0.000 1.720 -0.510) 1.794 50.777 ( 0.000 -0.853 1.679) 1.884 50.797 ( 0.000 -0.861 -0.312) 0.916 50.828 ( 0.000 1.505 0.964) 1.787 51.132 ( 0.000 1.364 -6.941) 7.073 51.482 ( 0.000 1.765 0.922) 1.991 51.599 ( 0.000 3.451 -2.490) 4.255 51.808 ( 0.000 1.031 4.262) 4.385 51.924 ( 0.000 -1.075 -0.085) 1.079 51.995 ( 0.000 -2.367 2.420) 3.385 52.164 ( 0.000 -2.603 -1.849) 3.193 52.834 ( 0.000 1.129 1.985) 2.284 52.999 ( 0.000 0.545 -3.053) 3.101 53.315 ( 0.000 -0.941 4.875) 4.965 53.599 ( 0.000 -3.321 -2.942) 4.437 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 1.198 10.423 16.916) 19.906 1.452 ( 15.810 19.224 15.536) 29.341 1.703 ( 6.529 8.226 -4.099) 11.274 1.784 ( -3.965 -13.799 0.961) 14.389 2.031 ( 1.213 5.125 19.844) 20.531 2.143 ( 1.315 3.616 6.671) 7.701 2.228 ( -2.175 -6.908 -0.883) 7.296 2.455 ( 9.096 0.531 8.537) 12.486 2.733 ( -6.850 2.419 7.092) 10.153 2.975 ( -1.560 -6.657 6.207) 9.234 3.244 ( -4.684 -7.940 5.297) 10.632 3.366 ( 1.813 -7.487 3.883) 8.627 3.433 ( 3.850 -3.070 8.079) 9.462 3.664 ( -0.879 -2.621 5.825) 6.448 3.868 ( -2.956 3.098 2.153) 4.793 3.961 ( -7.710 6.639 -3.847) 10.878 4.060 ( 0.987 -4.089 0.456) 4.231 4.103 ( 0.144 3.074 -0.913) 3.210 4.388 ( -0.499 6.349 -11.514) 13.158 4.551 ( 5.192 1.039 -6.471) 8.361 4.644 ( 0.529 -0.281 -5.153) 5.188 4.827 ( 2.176 -1.281 -6.455) 6.931 5.009 ( -2.378 -1.718 -6.061) 6.733 5.138 ( 0.728 -5.748 -4.642) 7.424 8.346 ( 12.972 -11.148 -3.517) 17.462 8.681 ( 13.488 -11.586 -10.023) 20.412 8.997 ( 4.993 5.176 2.715) 7.687 9.097 ( 3.824 5.461 0.554) 6.690 9.209 ( -0.181 12.211 2.471) 12.460 9.543 ( -4.895 3.896 1.087) 6.350 10.003 ( -4.885 -2.831 -4.005) 6.922 10.402 ( -6.331 3.468 -4.717) 8.623 10.411 ( -6.303 1.917 -6.294) 9.112 10.499 ( -0.659 5.228 6.622) 8.462 11.111 ( -0.790 7.446 0.158) 7.489 11.269 ( -1.668 0.589 1.804) 2.527 19.536 ( 0.386 3.522 0.533) 3.582 19.669 ( -1.699 11.217 -5.501) 12.608 21.332 ( -6.912 -7.072 4.006) 10.670 21.351 ( -9.671 -10.245 3.887) 14.615 21.407 ( -8.801 -6.448 3.347) 11.412 21.637 ( -0.845 5.797 -5.523) 8.052 21.993 ( -9.688 12.446 5.345) 16.654 22.046 ( -10.438 13.561 3.504) 17.468 23.033 ( 3.193 0.519 0.073) 3.235 23.318 ( 0.228 -0.138 -0.922) 0.959 23.367 ( 1.212 1.537 -1.057) 2.224 23.435 ( -1.762 -0.263 -0.256) 1.800 23.527 ( 6.723 0.053 -0.151) 6.725 23.544 ( 4.523 -0.033 -2.714) 5.275 23.674 ( 8.492 -0.093 -5.932) 10.359 23.710 ( 0.992 2.339 -2.082) 3.284 24.413 ( 2.438 -2.890 5.325) 6.531 24.790 ( 21.335 -10.831 -8.282) 25.320 25.304 ( -4.557 -4.832 7.457) 9.986 25.741 ( -1.400 -6.917 -5.313) 8.833 50.544 ( -0.008 0.337 0.224) 0.404 50.549 ( -0.061 1.651 -0.472) 1.718 50.766 ( -0.925 -1.297 1.380) 2.108 50.788 ( -0.731 -1.559 -0.280) 1.744 50.842 ( 1.255 2.415 1.654) 3.185 51.134 ( -0.983 2.601 -5.081) 5.792 51.304 ( -9.625 4.103 5.076) 11.629 51.571 ( -4.445 1.877 -3.004) 5.684 51.860 ( 2.702 0.026 1.338) 3.016 51.929 ( 0.395 -1.410 -0.103) 1.468 52.074 ( 6.181 -2.072 1.142) 6.618 52.186 ( 1.877 -2.393 -1.403) 3.349 52.850 ( 1.567 1.108 1.809) 2.638 53.003 ( -0.024 0.628 -2.923) 2.989 53.357 ( 3.824 -2.062 2.674) 5.102 53.586 ( -1.264 -3.360 -2.789) 4.546 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 12.839 -3.718 13.504) 19.001 1.659 ( -4.424 -10.018 8.770) 14.030 1.729 ( 7.305 5.117 7.269) 11.506 1.909 ( 10.741 10.288 -2.048) 15.014 2.014 ( -0.271 -1.816 1.749) 2.536 2.132 ( -3.916 4.422 7.447) 9.505 2.225 ( 1.669 5.672 6.142) 8.525 2.528 ( -4.255 8.538 9.361) 13.365 2.673 ( 3.195 3.774 3.984) 6.351 2.905 ( -5.272 -2.182 7.348) 9.303 3.171 ( 0.909 0.323 13.126) 13.161 3.456 ( 3.147 -5.490 2.263) 6.720 3.514 ( 2.856 -8.156 3.309) 9.253 3.629 ( -0.833 -7.477 6.295) 9.810 3.793 ( -3.183 2.417 -0.773) 4.070 3.837 ( -4.399 4.032 0.975) 6.047 3.998 ( -3.308 2.047 -0.366) 3.908 4.131 ( -4.137 -4.102 5.236) 7.833 4.364 ( 1.075 7.924 -7.772) 11.151 4.495 ( -2.884 -2.639 -4.094) 5.661 4.843 ( 11.093 -1.945 -9.245) 14.571 4.870 ( 2.328 -1.002 -6.197) 6.696 4.965 ( -2.187 -1.567 -6.247) 6.802 5.118 ( -2.944 -5.156 -6.427) 8.750 8.677 ( 19.762 -10.923 -2.070) 22.674 8.962 ( 11.316 -5.365 -2.175) 12.711 9.134 ( 7.284 -0.404 -3.256) 7.988 9.207 ( 1.751 9.589 2.219) 9.997 9.216 ( 8.797 5.042 0.548) 10.154 9.403 ( -9.603 -1.078 0.126) 9.664 9.848 ( -9.349 2.082 1.356) 9.673 10.159 ( -16.102 -6.063 -8.084) 19.011 10.366 ( 0.266 13.146 -5.285) 14.171 10.468 ( -2.621 7.142 -0.414) 7.619 11.110 ( 1.081 6.152 3.711) 7.265 11.221 ( -3.222 1.782 3.807) 5.296 19.550 ( 1.053 3.937 -0.188) 4.080 19.625 ( -2.564 8.629 -3.534) 9.670 21.043 ( -10.188 -13.896 12.682) 21.394 21.148 ( -11.697 -12.933 5.914) 18.414 21.424 ( 4.155 6.893 -0.667) 8.075 21.595 ( -3.431 6.976 -5.369) 9.448 21.865 ( -2.134 11.484 5.128) 12.757 21.936 ( -4.348 11.465 1.331) 12.334 23.108 ( 4.421 -0.188 -0.335) 4.437 23.289 ( -3.712 -0.831 -0.764) 3.879 23.372 ( 1.081 2.113 0.586) 2.444 23.419 ( -0.549 1.268 -0.443) 1.450 23.594 ( 2.478 1.604 0.515) 2.996 23.634 ( 2.489 -1.262 -3.251) 4.284 23.718 ( 2.430 3.400 -3.606) 5.520 23.824 ( 2.709 -0.361 -7.818) 8.282 24.537 ( 10.812 -3.224 9.045) 14.460 25.007 ( -5.157 -5.105 1.185) 7.352 25.332 ( 11.654 -11.312 -6.817) 17.614 25.687 ( -4.451 -8.406 -7.813) 12.309 50.544 ( 0.025 0.566 0.089) 0.573 50.548 ( -0.113 1.389 -0.328) 1.431 50.752 ( -0.335 -2.248 0.921) 2.453 50.772 ( -0.914 -2.371 -0.079) 2.543 50.874 ( 2.158 4.051 3.012) 5.490 51.035 ( -6.732 6.433 4.810) 10.480 51.262 ( 2.942 1.488 -3.132) 4.547 51.461 ( -6.192 1.686 -3.673) 7.394 51.900 ( 1.579 -0.600 1.065) 1.997 51.934 ( -0.084 -1.340 0.362) 1.391 52.172 ( 3.559 -1.832 0.227) 4.010 52.216 ( 0.877 -1.979 -0.571) 2.239 52.892 ( 2.620 1.059 1.171) 3.059 52.987 ( -1.615 0.886 -1.574) 2.423 53.438 ( 4.068 -3.358 -0.533) 5.301 53.553 ( -2.080 -3.493 -2.488) 4.766 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -14.751 -11.378 7.985) 20.268 1.439 ( 14.751 -11.378 7.985) 20.268 1.903 ( -7.744 -2.586 5.725) 9.972 1.903 ( 7.744 -2.586 5.725) 9.972 2.073 ( -4.431 8.259 2.387) 9.672 2.073 ( 4.431 8.259 2.387) 9.672 2.350 ( -11.564 14.123 6.162) 19.265 2.350 ( 11.564 14.123 6.162) 19.265 2.784 ( -6.688 1.078 6.240) 9.210 2.784 ( 6.688 1.078 6.240) 9.210 3.311 ( -11.306 1.870 10.276) 15.392 3.311 ( 11.306 1.870 10.276) 15.392 3.622 ( -4.723 -13.371 2.626) 14.422 3.622 ( 4.723 -13.371 2.626) 14.422 3.778 ( -1.829 3.556 -0.388) 4.018 3.778 ( 1.829 3.556 -0.388) 4.018 4.003 ( -4.896 1.668 4.716) 7.000 4.003 ( 4.896 1.668 4.716) 7.000 4.432 ( -4.002 -0.089 -5.943) 7.165 4.432 ( 4.002 -0.089 -5.943) 7.165 4.918 ( -2.493 -1.334 -6.238) 6.849 4.918 ( 2.493 -1.334 -6.238) 6.849 5.022 ( -7.011 -3.793 -7.866) 11.199 5.022 ( 7.011 -3.793 -7.866) 11.199 9.014 ( -9.798 -3.514 0.636) 10.429 9.014 ( 9.798 -3.514 0.636) 10.429 9.191 ( -7.082 -1.112 0.519) 7.187 9.191 ( 7.082 -1.112 0.519) 7.187 9.327 ( -3.280 0.232 -1.852) 3.774 9.327 ( 3.280 0.232 -1.852) 3.774 9.843 ( -12.566 1.368 -3.021) 12.996 9.843 ( 12.566 1.368 -3.021) 12.996 10.406 ( -3.274 10.103 -5.364) 11.898 10.406 ( 3.274 10.103 -5.364) 11.898 11.154 ( -3.260 3.793 5.198) 7.214 11.154 ( 3.260 3.793 5.198) 7.214 19.579 ( -2.026 5.614 -1.505) 6.155 19.579 ( 2.026 5.614 -1.505) 6.155 20.987 ( -3.731 -12.739 9.737) 16.462 20.987 ( 3.731 -12.739 9.737) 16.462 21.513 ( -4.719 7.240 -3.445) 9.303 21.513 ( 4.719 7.240 -3.445) 9.303 21.871 ( -2.165 10.547 2.604) 11.077 21.871 ( 2.165 10.547 2.604) 11.077 23.200 ( -4.938 -0.734 0.029) 4.993 23.200 ( 4.938 -0.734 0.029) 4.993 23.400 ( -1.419 2.038 0.168) 2.489 23.400 ( 1.419 2.038 0.168) 2.489 23.634 ( -1.485 0.536 -1.002) 1.870 23.634 ( 1.485 0.536 -1.002) 1.870 23.797 ( -4.133 1.534 -6.855) 8.150 23.797 ( 4.133 1.534 -6.855) 8.150 24.791 ( -13.827 -3.695 8.456) 16.624 24.791 ( 13.827 -3.695 8.456) 16.624 25.556 ( -9.335 -10.529 -10.521) 17.570 25.556 ( 9.335 -10.529 -10.521) 17.570 50.546 ( -0.091 0.956 -0.107) 0.967 50.546 ( 0.091 0.956 -0.107) 0.967 50.755 ( -0.629 -2.709 0.358) 2.804 50.755 ( 0.629 -2.709 0.358) 2.804 50.932 ( -3.947 5.735 4.627) 8.359 50.932 ( 3.947 5.735 4.627) 8.359 51.347 ( -5.404 1.505 -4.119) 6.959 51.347 ( 5.404 1.505 -4.119) 6.959 51.924 ( -0.910 -0.998 0.883) 1.613 51.924 ( 0.910 -0.998 0.883) 1.613 52.215 ( -1.053 -1.762 -0.037) 2.052 52.215 ( 1.053 -1.762 -0.037) 2.052 52.944 ( -2.647 1.013 0.016) 2.834 52.944 ( 2.647 1.013 0.016) 2.834 53.506 ( -2.904 -3.626 -1.977) 5.049 53.506 ( 2.904 -3.626 -1.977) 5.049 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 -10.554 0.314) 10.559 1.577 ( 0.000 18.786 5.000) 19.440 1.619 ( 0.000 12.739 14.591) 19.370 1.759 ( 0.000 -1.041 7.530) 7.601 2.054 ( 0.000 -7.999 -0.093) 7.999 2.182 ( 0.000 14.262 22.578) 26.705 2.270 ( 0.000 5.548 1.519) 5.752 2.443 ( 0.000 11.669 1.957) 11.832 2.723 ( 0.000 -11.331 -3.217) 11.779 2.799 ( 0.000 -7.363 -2.350) 7.729 2.958 ( 0.000 -7.824 5.834) 9.759 3.328 ( 0.000 -5.694 13.022) 14.212 3.407 ( 0.000 1.104 9.217) 9.283 3.615 ( 0.000 -4.489 11.257) 12.119 3.866 ( 0.000 -4.021 4.047) 5.705 3.967 ( 0.000 -0.214 -0.989) 1.012 4.053 ( 0.000 -4.029 -1.419) 4.272 4.239 ( 0.000 -3.632 -4.701) 5.940 4.491 ( 0.000 4.763 -10.300) 11.348 4.509 ( 0.000 8.652 -7.839) 11.675 4.736 ( 0.000 0.951 -5.497) 5.578 4.763 ( 0.000 -0.931 -3.159) 3.293 4.967 ( 0.000 -6.991 -3.030) 7.620 5.019 ( 0.000 -1.157 -6.510) 6.612 7.997 ( 0.000 -9.368 -7.626) 12.080 8.293 ( 0.000 -12.345 -13.111) 18.009 9.045 ( 0.000 4.356 2.782) 5.169 9.149 ( 0.000 3.775 1.372) 4.017 9.512 ( 0.000 15.441 2.916) 15.714 9.651 ( 0.000 0.696 -3.740) 3.804 10.099 ( 0.000 6.821 -3.720) 7.769 10.324 ( 0.000 -7.505 -6.203) 9.737 10.647 ( 0.000 8.055 6.027) 10.061 10.687 ( 0.000 11.426 1.581) 11.534 11.257 ( 0.000 5.022 -0.737) 5.076 11.272 ( 0.000 -1.643 3.031) 3.448 19.624 ( 0.000 5.179 0.106) 5.180 19.894 ( 0.000 6.988 -9.228) 11.575 21.203 ( 0.000 -12.288 -2.142) 12.473 21.210 ( 0.000 -14.190 -4.450) 14.871 21.538 ( 0.000 10.324 3.662) 10.954 21.810 ( 0.000 9.677 -3.607) 10.327 22.287 ( 0.000 9.922 1.131) 9.986 22.476 ( 0.000 5.702 -5.468) 7.900 23.041 ( 0.000 2.930 6.007) 6.683 23.213 ( 0.000 -1.758 2.460) 3.024 23.334 ( 0.000 1.029 -1.689) 1.977 23.404 ( 0.000 -1.266 -3.981) 4.178 23.455 ( 0.000 -2.401 -1.343) 2.751 23.487 ( 0.000 -0.907 -2.876) 3.015 23.669 ( 0.000 5.824 -0.246) 5.829 23.774 ( 0.000 4.460 -1.568) 4.728 24.311 ( 0.000 -5.355 3.675) 6.495 24.356 ( 0.000 -7.691 6.221) 9.893 25.243 ( 0.000 -6.537 6.645) 9.321 25.577 ( 0.000 -10.482 -3.041) 10.914 50.552 ( 0.000 0.510 -0.077) 0.516 50.583 ( 0.000 1.277 -1.473) 1.949 50.765 ( 0.000 -0.331 0.957) 1.013 50.780 ( 0.000 -0.777 -0.138) 0.789 50.876 ( 0.000 3.371 0.260) 3.381 51.164 ( 0.000 1.512 -7.498) 7.649 51.531 ( 0.000 2.952 1.525) 3.322 51.668 ( 0.000 3.037 -2.470) 3.915 51.832 ( 0.000 1.175 3.465) 3.658 51.891 ( 0.000 -2.190 0.517) 2.251 51.932 ( 0.000 -3.479 2.747) 4.433 52.097 ( 0.000 -3.767 -1.110) 3.927 52.867 ( 0.000 2.113 1.775) 2.760 53.014 ( 0.000 0.878 -2.770) 2.906 53.291 ( 0.000 -1.344 4.313) 4.517 53.518 ( 0.000 -4.408 -1.643) 4.704 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -6.368 15.284 10.703) 19.716 1.479 ( -1.587 -8.072 3.917) 9.111 1.752 ( 1.889 4.534 16.587) 17.299 1.886 ( 15.096 9.694 1.209) 17.981 2.012 ( -2.779 -6.515 0.414) 7.095 2.236 ( -0.174 5.294 2.936) 6.056 2.319 ( 6.405 15.190 9.738) 19.146 2.501 ( 5.412 2.808 5.394) 8.141 2.760 ( 3.408 -0.468 1.101) 3.612 2.811 ( 1.484 -8.789 -1.157) 8.988 2.979 ( 3.343 -8.809 7.023) 11.751 3.324 ( -0.899 -6.004 11.109) 12.660 3.373 ( -2.046 1.707 9.773) 10.130 3.616 ( -0.436 -3.765 9.375) 10.112 3.874 ( -2.094 -4.406 3.637) 6.085 3.942 ( -2.190 -5.298 1.017) 5.822 3.968 ( -4.525 -2.332 -3.467) 6.159 4.230 ( -2.798 4.145 -3.304) 5.994 4.435 ( -1.362 2.316 -9.663) 10.030 4.630 ( 5.220 3.095 -8.611) 10.535 4.649 ( -4.345 1.415 -4.648) 6.518 4.793 ( 2.075 -2.071 -2.226) 3.682 4.962 ( -0.828 -3.681 -6.038) 7.120 5.024 ( 0.199 -3.336 -5.000) 6.014 8.134 ( 13.569 -8.897 -7.090) 17.707 8.431 ( 13.546 -12.302 -12.367) 22.086 9.095 ( 4.597 4.383 2.763) 6.927 9.200 ( 5.013 4.447 1.090) 6.790 9.486 ( -3.411 12.268 2.117) 12.908 9.579 ( -6.904 1.365 -3.351) 7.795 10.052 ( -4.805 5.743 -2.647) 7.943 10.248 ( -7.481 -6.488 -6.158) 11.661 10.639 ( -0.637 8.611 4.260) 9.628 10.676 ( -0.872 12.349 1.913) 12.527 11.248 ( -0.783 5.053 1.060) 5.222 11.269 ( -0.468 -0.664 2.941) 3.051 19.628 ( 0.538 5.254 -0.440) 5.300 19.875 ( -2.014 7.638 -9.474) 12.335 21.023 ( -16.022 -14.243 0.473) 21.443 21.097 ( -10.407 -13.296 -1.488) 16.950 21.553 ( 1.998 11.169 2.968) 11.728 21.814 ( 0.188 10.364 -4.074) 11.137 22.221 ( -7.158 10.202 3.711) 13.003 22.293 ( -9.580 10.633 1.276) 14.369 23.053 ( 2.078 1.483 0.101) 2.555 23.306 ( -0.215 -1.227 -1.480) 1.934 23.399 ( 3.499 1.287 -0.154) 3.731 23.419 ( -0.314 -1.241 -1.584) 2.036 23.508 ( 7.624 -2.105 -3.293) 8.568 23.552 ( 8.008 0.471 -0.848) 8.066 23.701 ( 3.277 3.362 -1.765) 5.015 23.783 ( 1.118 4.775 -1.492) 5.126 24.330 ( 2.516 -5.154 5.252) 7.776 24.548 ( 17.368 -11.786 -0.430) 20.994 25.181 ( -6.083 -6.879 7.171) 11.651 25.551 ( -2.876 -11.344 -3.807) 12.307 50.554 ( 0.186 0.608 -0.241) 0.680 50.583 ( 0.015 1.443 -1.603) 2.157 50.743 ( -1.963 -0.933 0.416) 2.213 50.763 ( -1.278 -0.801 -0.487) 1.585 50.905 ( 2.593 3.865 1.495) 4.888 51.184 ( 1.807 2.075 -6.587) 7.138 51.402 ( -9.347 5.157 4.298) 11.508 51.616 ( -4.893 2.285 -2.065) 5.781 51.860 ( 1.497 -0.086 1.133) 1.879 51.891 ( 0.345 -2.201 0.310) 2.250 52.018 ( 6.315 -3.331 1.811) 7.366 52.123 ( 2.157 -3.682 -0.635) 4.314 52.883 ( 1.538 2.118 1.632) 3.085 53.021 ( 0.382 1.145 -2.751) 3.004 53.307 ( 1.676 -2.606 3.357) 4.568 53.504 ( -1.476 -4.558 -1.643) 5.064 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.117 12.984 14.402) 19.391 1.438 ( -4.107 -7.393 5.963) 10.348 1.813 ( 4.079 2.341 11.707) 12.616 1.934 ( -3.266 -0.993 -1.735) 3.829 2.133 ( 6.765 8.554 0.095) 10.906 2.310 ( 2.280 1.570 8.333) 8.780 2.347 ( 4.332 11.276 2.230) 12.284 2.598 ( 2.082 0.747 4.697) 5.192 2.811 ( 1.859 0.757 6.555) 6.855 2.884 ( 4.078 5.570 5.839) 9.042 3.109 ( 9.556 -9.438 8.480) 15.884 3.283 ( -0.172 1.755 10.022) 10.176 3.391 ( 1.589 -9.071 4.886) 10.424 3.570 ( -4.973 -1.381 7.573) 9.164 3.732 ( -6.820 -8.095 1.925) 10.758 3.891 ( -4.624 -2.235 -4.932) 7.120 3.970 ( 2.462 -4.972 3.671) 6.653 4.132 ( -6.224 8.740 -0.600) 10.746 4.426 ( -0.072 -2.633 -7.372) 7.828 4.505 ( -5.968 3.889 -6.755) 9.818 4.796 ( 7.778 -2.807 -7.210) 10.970 4.839 ( 2.652 -1.781 -3.215) 4.532 4.936 ( -1.647 -1.878 -6.570) 7.029 5.010 ( -1.999 -4.075 -5.269) 6.954 8.484 ( 21.272 -7.713 -5.706) 23.336 8.770 ( 19.723 -10.952 -9.781) 24.589 9.178 ( 0.554 2.564 0.183) 2.629 9.302 ( -3.857 -0.597 1.676) 4.247 9.343 ( -1.590 4.701 -2.700) 5.649 9.450 ( -5.414 8.893 -0.773) 10.440 9.931 ( -6.433 3.852 -0.693) 7.530 10.059 ( -10.971 -2.570 -4.266) 12.048 10.633 ( 0.157 11.129 1.304) 11.207 10.660 ( -0.784 12.605 1.523) 12.721 11.234 ( -0.473 5.028 3.623) 6.215 11.253 ( -1.050 1.187 4.026) 4.326 19.652 ( 2.139 5.842 -2.130) 6.576 19.811 ( -4.538 8.555 -8.562) 12.927 20.747 ( -9.260 -14.373 5.866) 18.076 20.866 ( -11.643 -13.906 0.763) 18.153 21.620 ( 4.693 11.796 0.826) 12.722 21.799 ( -2.293 12.168 -4.344) 13.122 22.091 ( -3.769 10.196 6.463) 12.647 22.167 ( -5.254 10.678 1.888) 12.049 23.108 ( 3.486 0.326 -0.888) 3.612 23.266 ( -3.700 -1.289 -0.827) 4.005 23.398 ( 1.190 -0.212 -2.338) 2.632 23.451 ( 0.311 1.348 -2.191) 2.591 23.613 ( 4.004 -0.156 -1.260) 4.201 23.659 ( 1.688 4.738 2.163) 5.475 23.799 ( 3.904 3.529 -4.352) 6.829 23.826 ( 3.348 1.833 -3.765) 5.361 24.445 ( 10.012 -5.651 8.224) 14.135 24.853 ( 5.172 -10.164 -2.783) 11.739 25.071 ( 1.587 -12.572 3.464) 13.136 25.458 ( -6.889 -13.519 -5.521) 16.146 50.560 ( 0.448 0.932 -0.673) 1.234 50.581 ( -0.320 1.733 -1.693) 2.444 50.711 ( -0.995 -1.762 -0.135) 2.028 50.734 ( -1.533 -1.308 -0.791) 2.165 50.968 ( 3.921 5.167 3.271) 7.265 51.174 ( -5.212 6.724 2.435) 8.849 51.299 ( 1.536 2.089 -2.028) 3.292 51.502 ( -6.366 2.077 -2.822) 7.267 51.885 ( 1.052 -0.768 0.835) 1.547 51.899 ( 0.348 -1.795 0.480) 1.890 52.118 ( 3.699 -3.408 0.732) 5.082 52.159 ( 1.194 -3.561 0.005) 3.756 52.924 ( 2.592 2.128 1.086) 3.526 53.015 ( -1.236 1.827 -1.607) 2.729 53.353 ( 2.916 -4.683 0.958) 5.599 53.465 ( -2.445 -4.976 -1.533) 5.753 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -6.189 1.343 10.788) 12.510 1.325 ( 6.189 1.343 10.788) 12.510 1.884 ( -2.763 1.458 3.575) 4.748 1.884 ( 2.763 1.458 3.575) 4.748 2.226 ( -4.986 6.397 2.410) 8.461 2.226 ( 4.986 6.397 2.410) 8.461 2.541 ( -8.029 2.202 5.710) 10.096 2.541 ( 8.029 2.202 5.710) 10.096 2.870 ( -3.998 8.617 9.441) 13.393 2.870 ( 3.998 8.617 9.441) 13.393 3.304 ( -9.040 -14.936 6.024) 18.469 3.304 ( 9.040 -14.936 6.024) 18.469 3.406 ( -10.235 4.364 6.439) 12.856 3.406 ( 10.235 4.364 6.439) 12.856 3.762 ( -7.556 -7.929 -0.541) 10.966 3.762 ( 7.556 -7.929 -0.541) 10.966 4.029 ( -3.977 4.234 1.409) 5.977 4.029 ( 3.977 4.234 1.409) 5.977 4.435 ( -1.514 -0.111 -6.978) 7.141 4.435 ( 1.514 -0.111 -6.978) 7.141 4.881 ( -1.494 -2.311 -5.853) 6.467 4.881 ( 1.494 -2.311 -5.853) 6.467 4.944 ( -4.274 -3.233 -5.715) 7.834 4.944 ( 4.274 -3.233 -5.715) 7.834 8.906 ( -20.517 -5.354 -3.815) 21.545 8.906 ( 20.517 -5.354 -3.815) 21.545 9.128 ( -13.762 -6.222 -5.173) 15.965 9.128 ( 13.762 -6.222 -5.173) 15.965 9.404 ( -1.215 7.807 -0.608) 7.925 9.404 ( 1.215 7.807 -0.608) 7.925 9.890 ( -4.175 2.365 -0.569) 4.832 9.890 ( 4.175 2.365 -0.569) 4.832 10.644 ( -0.853 12.528 0.528) 12.568 10.644 ( 0.853 12.528 0.528) 12.568 11.235 ( -0.627 3.499 4.800) 5.973 11.235 ( 0.627 3.499 4.800) 5.973 19.717 ( -4.498 7.412 -5.138) 10.078 19.717 ( 4.498 7.412 -5.138) 10.078 20.702 ( -4.094 -14.389 4.106) 15.514 20.702 ( 4.094 -14.389 4.106) 15.514 21.721 ( -5.231 12.520 -1.950) 13.708 21.721 ( 5.231 12.520 -1.950) 13.708 22.086 ( -2.598 9.908 4.099) 11.033 22.086 ( 2.598 9.908 4.099) 11.033 23.185 ( -4.310 -0.662 -0.632) 4.407 23.185 ( 4.310 -0.662 -0.632) 4.407 23.433 ( -1.817 0.460 -2.740) 3.320 23.433 ( 1.817 0.460 -2.740) 3.320 23.663 ( -1.156 2.795 0.697) 3.104 23.663 ( 1.156 2.795 0.697) 3.104 23.847 ( -1.272 3.467 -4.227) 5.613 23.847 ( 1.272 3.467 -4.227) 5.613 24.689 ( -13.540 -6.066 7.535) 16.640 24.689 ( 13.540 -6.066 7.535) 16.640 25.278 ( -11.741 -16.018 -6.499) 20.897 25.278 ( 11.741 -16.018 -6.499) 20.897 50.571 ( -0.633 1.466 -1.260) 2.034 50.571 ( 0.633 1.466 -1.260) 2.034 50.710 ( -0.803 -1.830 -0.646) 2.101 50.710 ( 0.803 -1.830 -0.646) 2.101 51.059 ( -5.487 6.635 4.610) 9.766 51.059 ( 5.487 6.635 4.610) 9.766 51.383 ( -5.700 1.785 -3.712) 7.033 51.383 ( 5.700 1.785 -3.712) 7.033 51.899 ( -0.393 -1.238 0.754) 1.502 51.899 ( 0.393 -1.238 0.754) 1.502 52.162 ( -0.969 -3.430 0.399) 3.586 52.162 ( 0.969 -3.430 0.399) 3.586 52.976 ( -2.565 2.122 -0.005) 3.330 52.976 ( 2.565 2.122 -0.005) 3.330 53.412 ( -2.975 -5.326 -0.868) 6.162 53.412 ( 2.975 -5.326 -0.868) 6.162 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 -8.575 -3.049) 9.101 1.591 ( 0.000 -12.321 4.390) 13.080 1.762 ( 0.000 -1.467 -10.900) 10.998 1.855 ( 0.000 7.224 18.730) 20.075 2.184 ( 0.000 20.203 10.445) 22.743 2.277 ( 0.000 -8.092 -1.074) 8.163 2.387 ( 0.000 -11.286 3.332) 11.768 2.541 ( 0.000 17.544 3.526) 17.895 2.656 ( 0.000 1.463 -2.564) 2.952 2.841 ( 0.000 14.385 -1.623) 14.476 2.977 ( 0.000 6.792 16.000) 17.382 3.204 ( 0.000 -5.537 15.700) 16.648 3.384 ( 0.000 -4.188 6.045) 7.354 3.465 ( 0.000 -8.016 4.880) 9.384 3.819 ( 0.000 -3.907 9.293) 10.081 3.884 ( 0.000 -7.909 2.491) 8.292 3.952 ( 0.000 -3.692 -1.153) 3.868 4.145 ( 0.000 -4.543 -7.665) 8.911 4.550 ( 0.000 0.968 -6.008) 6.085 4.604 ( 0.000 -0.370 -3.806) 3.824 4.758 ( 0.000 0.995 -4.955) 5.054 4.769 ( 0.000 1.922 1.085) 2.207 4.879 ( 0.000 -0.911 -5.136) 5.216 5.005 ( 0.000 -0.358 -6.641) 6.651 7.856 ( 0.000 -4.340 -10.626) 11.478 8.064 ( 0.000 -9.946 -14.304) 17.422 9.123 ( 0.000 3.319 1.893) 3.821 9.204 ( 0.000 1.557 1.957) 2.501 9.667 ( 0.000 1.628 -7.298) 7.477 9.766 ( 0.000 7.602 -2.585) 8.029 10.231 ( 0.000 -0.442 -0.083) 0.450 10.248 ( 0.000 6.589 -1.501) 6.758 10.802 ( 0.000 6.998 4.724) 8.444 10.904 ( 0.000 9.506 1.964) 9.707 11.217 ( 0.000 -3.604 5.468) 6.549 11.310 ( 0.000 0.178 0.389) 0.428 19.732 ( 0.000 5.288 -0.424) 5.305 19.961 ( 0.000 0.137 -5.815) 5.816 20.969 ( 0.000 -9.188 -9.305) 13.077 20.982 ( 0.000 -8.973 -6.540) 11.103 21.773 ( 0.000 11.748 3.992) 12.408 21.990 ( 0.000 7.070 -0.949) 7.133 22.466 ( 0.000 7.713 -0.762) 7.750 22.574 ( 0.000 4.040 -5.422) 6.762 23.108 ( 0.000 3.415 4.204) 5.416 23.186 ( 0.000 -0.816 1.201) 1.452 23.357 ( 0.000 1.292 -1.687) 2.126 23.377 ( 0.000 -1.460 -3.740) 4.015 23.394 ( 0.000 -3.278 -1.301) 3.527 23.452 ( 0.000 -2.289 -2.476) 3.372 23.800 ( 0.000 6.668 1.954) 6.948 23.878 ( 0.000 5.367 0.105) 5.368 24.194 ( 0.000 -5.758 4.064) 7.048 24.219 ( 0.000 -5.900 6.481) 8.765 25.116 ( 0.000 -5.321 5.316) 7.521 25.350 ( 0.000 -11.356 -1.668) 11.478 50.565 ( 0.000 0.761 -0.326) 0.828 50.598 ( 0.000 0.264 -1.181) 1.210 50.761 ( 0.000 -0.084 0.689) 0.694 50.768 ( 0.000 -0.397 0.105) 0.410 50.962 ( 0.000 4.934 -1.675) 5.210 51.180 ( 0.000 -0.160 -7.452) 7.454 51.599 ( 0.000 3.638 2.051) 4.177 51.719 ( 0.000 1.927 -0.833) 2.100 51.838 ( 0.000 -2.852 1.083) 3.051 51.842 ( 0.000 -1.116 4.255) 4.399 51.877 ( 0.000 -0.784 0.553) 0.959 52.017 ( 0.000 -3.977 -1.216) 4.158 52.917 ( 0.000 2.727 1.453) 3.090 53.029 ( 0.000 0.292 -1.892) 1.914 53.270 ( 0.000 -0.438 3.067) 3.098 53.427 ( 0.000 -4.472 -1.006) 4.584 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 8.212 -4.374 0.270) 9.308 1.712 ( 1.554 5.668 -1.128) 5.984 1.733 ( 7.219 -4.502 8.759) 12.210 1.952 ( 0.667 5.366 5.055) 7.402 2.075 ( 0.327 11.582 13.826) 18.039 2.251 ( 0.108 -7.664 1.100) 7.744 2.447 ( 3.641 -8.834 4.367) 10.505 2.586 ( -4.385 1.131 -4.881) 6.658 2.632 ( 3.071 10.992 0.154) 11.414 2.908 ( 5.969 8.853 1.785) 10.825 3.039 ( 6.094 10.725 15.247) 19.612 3.189 ( -0.349 -4.509 12.844) 13.617 3.382 ( 0.023 -3.336 7.680) 8.373 3.461 ( -1.988 -9.768 5.722) 11.494 3.727 ( -8.191 -8.009 7.339) 13.605 3.837 ( -4.118 -6.106 4.981) 8.891 3.951 ( 1.024 0.709 -5.011) 5.163 4.207 ( 4.564 -4.388 -5.762) 8.561 4.533 ( -3.776 4.579 -7.031) 9.201 4.628 ( 2.754 -2.139 -3.801) 5.158 4.691 ( -5.259 1.931 -5.259) 7.684 4.753 ( 0.076 -1.153 1.787) 2.128 4.894 ( 0.452 -1.496 -6.378) 6.567 5.002 ( -0.644 -0.533 -5.943) 6.001 8.002 ( 14.433 -3.995 -10.044) 18.032 8.205 ( 13.984 -9.690 -13.575) 21.766 9.173 ( 4.569 3.407 2.332) 6.158 9.263 ( 5.441 1.653 1.925) 6.003 9.569 ( -9.401 1.946 -7.126) 11.957 9.719 ( -5.135 5.219 -4.523) 8.606 10.132 ( -7.826 2.185 0.181) 8.127 10.217 ( -4.882 3.418 -0.982) 6.040 10.808 ( 0.919 7.968 4.307) 9.104 10.911 ( 0.588 10.371 2.583) 10.704 11.226 ( 0.829 -3.049 5.446) 6.296 11.310 ( -0.139 0.516 1.399) 1.498 19.739 ( 0.870 5.479 -1.062) 5.649 19.961 ( -0.027 1.074 -6.674) 6.760 20.786 ( -15.974 -8.697 -5.802) 19.091 20.860 ( -11.469 -9.795 -5.758) 16.144 21.795 ( 2.495 11.941 3.548) 12.705 22.009 ( 1.797 7.755 -1.172) 8.046 22.405 ( -6.488 7.935 1.355) 10.339 22.473 ( -6.826 6.990 -1.874) 9.948 23.095 ( 0.794 2.611 -0.626) 2.800 23.270 ( 0.896 -2.182 -1.643) 2.875 23.366 ( -1.771 -2.835 -1.518) 3.671 23.426 ( 2.441 -1.261 -3.224) 4.236 23.468 ( 10.530 0.217 -0.687) 10.555 23.552 ( 11.909 -0.384 -1.528) 12.012 23.806 ( 0.470 6.436 1.971) 6.747 23.893 ( 1.490 5.684 -0.022) 5.876 24.216 ( 2.588 -5.676 5.133) 8.078 24.336 ( 11.453 -9.058 3.225) 14.954 25.049 ( -6.771 -5.466 5.600) 10.348 25.306 ( -4.599 -12.188 -2.139) 13.201 50.569 ( 0.372 0.830 -0.550) 1.064 50.602 ( 0.403 0.391 -1.429) 1.536 50.732 ( -2.539 -0.174 -0.099) 2.547 50.752 ( -1.571 -0.422 -0.649) 1.751 50.997 ( 3.264 5.009 -0.056) 5.979 51.208 ( 2.761 0.081 -6.387) 6.958 51.504 ( -7.760 4.780 3.588) 9.795 51.654 ( -5.382 1.159 -0.152) 5.508 51.839 ( 1.180 -1.775 0.782) 2.271 51.871 ( 0.633 0.422 -0.063) 0.763 51.947 ( 5.642 -3.409 2.212) 6.953 52.043 ( 2.090 -4.046 -0.598) 4.593 52.933 ( 1.606 2.796 1.348) 3.494 53.043 ( 1.257 0.716 -2.120) 2.567 53.262 ( -0.573 -1.426 2.915) 3.295 53.409 ( -1.822 -4.640 -1.048) 5.094 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 5.922 4.470 6.515) 9.874 1.628 ( -7.476 20.893 10.859) 24.705 1.862 ( 4.742 3.487 4.851) 7.627 1.963 ( 2.982 2.917 3.337) 5.342 2.219 ( 7.818 -1.790 11.155) 13.739 2.312 ( 2.937 -1.731 2.485) 4.219 2.496 ( 0.471 5.105 3.196) 6.042 2.534 ( 1.908 -13.215 -3.182) 13.726 2.662 ( 3.441 -1.245 2.318) 4.332 3.028 ( 3.675 7.726 8.775) 12.256 3.102 ( 0.984 -4.573 12.246) 13.109 3.264 ( -1.443 4.295 5.330) 6.996 3.333 ( -2.588 -9.735 11.372) 15.192 3.392 ( 1.936 -3.083 4.259) 5.603 3.616 ( -2.805 -5.757 2.932) 7.043 3.720 ( -7.819 -7.066 3.722) 11.177 4.010 ( 5.379 4.114 -3.879) 7.805 4.282 ( 1.569 2.223 -3.696) 4.589 4.401 ( -6.946 2.971 -4.844) 8.974 4.549 ( -7.132 0.714 -6.429) 9.629 4.735 ( 5.599 -2.438 -4.985) 7.883 4.798 ( 4.117 -2.629 -1.183) 5.026 4.880 ( -1.816 -2.129 -6.863) 7.412 4.970 ( -2.799 -1.443 -5.148) 6.035 8.373 ( 22.605 -3.152 -8.531) 24.366 8.566 ( 21.865 -8.789 -11.642) 26.284 9.204 ( -9.790 0.397 -2.349) 10.076 9.266 ( -8.362 -1.432 -0.696) 8.512 9.462 ( 5.123 5.822 -2.843) 8.260 9.603 ( -3.375 4.702 -5.060) 7.688 9.968 ( -8.010 1.643 1.117) 8.253 10.071 ( -9.317 1.763 -0.805) 9.516 10.842 ( 2.457 9.953 4.319) 11.125 10.916 ( -0.391 11.610 3.589) 12.158 11.247 ( 1.277 -1.628 5.305) 5.694 11.300 ( -0.954 0.842 3.265) 3.504 19.776 ( 3.259 6.234 -3.081) 7.680 19.949 ( -1.978 4.795 -8.669) 10.103 20.489 ( -11.279 -10.475 -0.024) 15.393 20.609 ( -12.679 -11.226 -3.524) 17.298 21.872 ( 5.260 12.237 2.051) 13.477 22.042 ( 0.620 10.491 -2.336) 10.765 22.266 ( -5.725 7.032 4.510) 10.128 22.351 ( -6.061 7.118 0.631) 9.370 23.127 ( 2.327 1.627 -1.740) 3.330 23.245 ( -2.918 -0.579 -1.332) 3.259 23.360 ( 1.414 -3.337 -4.356) 5.667 23.434 ( -0.887 -3.249 -5.054) 6.074 23.653 ( 7.574 4.167 2.056) 8.886 23.779 ( 3.932 5.962 2.571) 7.591 23.833 ( 5.881 2.213 -2.541) 6.778 23.927 ( 1.505 5.795 -0.602) 6.017 24.321 ( 9.261 -5.992 7.130) 13.135 24.611 ( 14.480 -12.786 -2.161) 19.438 24.868 ( -10.561 -7.117 6.277) 14.199 25.170 ( -9.437 -14.199 -3.102) 17.329 50.581 ( 0.881 1.072 -1.110) 1.777 50.611 ( 0.290 1.052 -2.022) 2.298 50.684 ( -1.819 -0.755 -0.779) 2.118 50.714 ( -2.100 -0.822 -1.454) 2.683 51.079 ( 5.099 5.569 2.240) 7.876 51.275 ( 2.610 2.084 -2.795) 4.355 51.356 ( -5.625 4.194 2.857) 7.576 51.533 ( -6.666 0.674 -1.110) 6.791 51.866 ( 1.379 -0.700 0.580) 1.652 51.884 ( 0.503 0.432 0.089) 0.669 52.038 ( 3.453 -4.314 1.065) 5.627 52.078 ( 1.111 -4.345 0.080) 4.485 52.977 ( 2.724 3.001 0.945) 4.162 53.059 ( -0.169 2.377 -1.639) 2.893 53.261 ( 0.893 -4.089 1.753) 4.538 53.361 ( -2.987 -5.096 -0.977) 5.987 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -5.434 14.621 11.301) 19.262 1.496 ( 5.434 14.621 11.301) 19.262 1.960 ( -3.676 5.671 3.441) 7.584 1.960 ( 3.676 5.671 3.441) 7.584 2.304 ( -2.251 -0.222 6.022) 6.432 2.304 ( 2.251 -0.222 6.022) 6.432 2.529 ( -2.740 -0.770 0.039) 2.846 2.529 ( 2.740 -0.770 0.039) 2.846 2.891 ( -16.288 -12.971 8.027) 22.315 2.891 ( 16.288 -12.971 8.027) 22.315 3.134 ( -3.948 3.356 13.265) 14.241 3.134 ( 3.948 3.356 13.265) 14.241 3.439 ( -2.390 -5.230 0.770) 5.801 3.439 ( 2.390 -5.230 0.770) 5.801 3.587 ( -2.180 -3.491 3.183) 5.203 3.587 ( 2.180 -3.491 3.183) 5.203 4.159 ( -9.445 7.595 -1.658) 12.233 4.159 ( 9.445 7.595 -1.658) 12.233 4.423 ( -5.509 -0.901 -6.058) 8.238 4.423 ( 5.509 -0.901 -6.058) 8.238 4.826 ( -3.697 -2.615 -6.052) 7.558 4.826 ( 3.697 -2.615 -6.052) 7.558 4.893 ( -4.950 -2.352 -4.021) 6.797 4.893 ( 4.950 -2.352 -4.021) 6.797 8.829 ( -23.135 -2.061 -6.563) 24.136 8.829 ( 23.135 -2.061 -6.563) 24.136 8.991 ( -20.255 -6.467 -8.227) 22.799 8.991 ( 20.255 -6.467 -8.227) 22.799 9.583 ( -4.138 8.936 -0.256) 9.851 9.583 ( 4.138 8.936 -0.256) 9.851 9.911 ( -4.531 -0.625 -0.191) 4.578 9.911 ( 4.531 -0.625 -0.191) 4.578 10.891 ( -2.154 11.462 4.344) 12.446 10.891 ( 2.154 11.462 4.344) 12.446 11.275 ( -1.537 0.064 4.643) 4.892 11.275 ( 1.537 0.064 4.643) 4.892 19.867 ( -5.637 7.363 -6.729) 11.458 19.867 ( 5.637 7.363 -6.729) 11.458 20.427 ( -4.559 -12.521 -0.221) 13.327 20.427 ( 4.559 -12.521 -0.221) 13.327 21.986 ( -5.786 12.764 -0.592) 14.026 21.986 ( 5.786 12.764 -0.592) 14.026 22.250 ( -3.580 5.771 3.347) 7.571 22.250 ( 3.580 5.771 3.347) 7.571 23.181 ( -3.230 0.594 -1.558) 3.635 23.181 ( 3.230 0.594 -1.558) 3.635 23.400 ( -2.272 -3.545 -5.273) 6.748 23.400 ( 2.272 -3.545 -5.273) 6.748 23.758 ( -3.369 6.356 3.026) 7.804 23.758 ( 3.369 6.356 3.026) 7.804 23.929 ( -1.898 4.160 -1.885) 4.946 23.929 ( 1.898 4.160 -1.885) 4.946 24.565 ( -14.028 -5.505 6.096) 16.256 24.565 ( 14.028 -5.505 6.096) 16.256 24.945 ( -13.341 -16.104 -2.993) 21.125 24.945 ( 13.341 -16.104 -2.993) 21.125 50.602 ( -1.136 1.511 -1.818) 2.622 50.602 ( 1.136 1.511 -1.818) 2.622 50.679 ( -1.193 -1.273 -1.360) 2.212 50.679 ( 1.193 -1.273 -1.360) 2.212 51.192 ( -6.458 6.283 3.758) 9.763 51.192 ( 6.458 6.283 3.758) 9.763 51.407 ( -6.110 0.270 -2.467) 6.594 51.407 ( 6.110 0.270 -2.467) 6.594 51.885 ( -0.468 0.110 0.440) 0.652 51.885 ( 0.468 0.110 0.440) 0.652 52.080 ( -0.933 -4.530 0.514) 4.654 52.080 ( 0.933 -4.530 0.514) 4.654 53.030 ( -2.510 3.214 -0.016) 4.078 53.030 ( 2.510 3.214 -0.016) 4.078 53.301 ( -2.923 -5.411 -0.186) 6.153 53.301 ( 2.923 -5.411 -0.186) 6.153 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 4.710 -2.863) 5.512 1.312 ( 0.000 -13.449 0.904) 13.479 1.772 ( 0.000 3.653 -12.077) 12.617 1.889 ( 0.000 -5.007 -1.598) 5.255 2.124 ( 0.000 -1.326 7.344) 7.462 2.196 ( 0.000 -6.804 8.040) 10.533 2.595 ( 0.000 16.685 4.663) 17.325 2.746 ( 0.000 2.087 0.292) 2.107 2.795 ( 0.000 8.939 6.054) 10.796 2.953 ( 0.000 -4.350 6.721) 8.006 3.138 ( 0.000 -0.774 14.916) 14.936 3.223 ( 0.000 1.103 16.868) 16.904 3.253 ( 0.000 7.146 3.974) 8.177 3.438 ( 0.000 5.823 1.657) 6.055 3.617 ( 0.000 -12.917 5.837) 14.175 3.682 ( 0.000 -10.919 3.873) 11.586 3.972 ( 0.000 3.665 -1.151) 3.842 4.057 ( 0.000 -4.349 -6.717) 8.002 4.550 ( 0.000 -0.253 -3.258) 3.268 4.563 ( 0.000 -1.831 -2.260) 2.908 4.774 ( 0.000 0.678 -1.916) 2.033 4.786 ( 0.000 -0.327 0.595) 0.678 4.926 ( 0.000 3.929 -5.406) 6.683 4.988 ( 0.000 -1.824 -6.159) 6.424 7.825 ( 0.000 1.202 -12.858) 12.914 7.900 ( 0.000 -6.079 -14.170) 15.419 9.180 ( 0.000 2.286 1.393) 2.677 9.212 ( 0.000 -0.742 1.602) 1.765 9.723 ( 0.000 3.678 -9.027) 9.747 9.797 ( 0.000 -2.740 -8.832) 9.248 10.297 ( 0.000 4.450 4.697) 6.470 10.334 ( 0.000 1.378 1.807) 2.273 10.931 ( 0.000 5.859 3.566) 6.859 11.020 ( 0.000 -0.654 1.627) 1.753 11.178 ( 0.000 2.456 5.991) 6.474 11.268 ( 0.000 -4.097 2.379) 4.737 19.835 ( 0.000 4.826 -0.889) 4.908 19.922 ( 0.000 -3.510 -2.338) 4.218 20.847 ( 0.000 -2.836 -11.563) 11.905 20.854 ( 0.000 -3.455 -10.173) 10.744 21.978 ( 0.000 7.739 3.273) 8.403 22.063 ( 0.000 -0.292 1.573) 1.600 22.592 ( 0.000 4.333 -2.037) 4.788 22.629 ( 0.000 0.773 -3.711) 3.791 23.165 ( 0.000 1.895 -0.511) 1.963 23.180 ( 0.000 0.030 -2.540) 2.540 23.339 ( 0.000 -1.618 0.426) 1.673 23.343 ( 0.000 -1.635 -1.669) 2.336 23.384 ( 0.000 1.270 -1.175) 1.731 23.410 ( 0.000 -1.521 -1.338) 2.026 23.922 ( 0.000 4.925 2.955) 5.744 23.963 ( 0.000 1.859 2.619) 3.212 24.101 ( 0.000 -2.544 4.067) 4.797 24.120 ( 0.000 -3.607 5.404) 6.497 25.060 ( 0.000 0.515 2.911) 2.956 25.147 ( 0.000 -7.843 0.233) 7.847 50.582 ( 0.000 0.815 -0.480) 0.946 50.596 ( 0.000 -0.474 -0.735) 0.874 50.761 ( 0.000 0.028 0.517) 0.518 50.763 ( 0.000 -0.154 0.328) 0.362 51.065 ( 0.000 4.932 -3.864) 6.266 51.148 ( 0.000 -3.030 -6.056) 6.771 51.674 ( 0.000 3.683 2.227) 4.304 51.734 ( 0.000 -1.306 1.610) 2.073 51.793 ( 0.000 -0.702 1.588) 1.736 51.807 ( 0.000 -1.470 3.602) 3.890 51.893 ( 0.000 1.655 -1.323) 2.119 51.943 ( 0.000 -3.231 -1.625) 3.616 52.973 ( 0.000 2.654 0.898) 2.802 53.017 ( 0.000 -1.483 -0.274) 1.508 53.284 ( 0.000 1.905 1.105) 2.203 53.343 ( 0.000 -3.738 -0.303) 3.751 ======================= Grid point 155 (58/80) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 15.037 7.373 0.401) 16.752 1.505 ( 17.404 -12.885 2.662) 21.817 1.824 ( 5.471 6.152 -7.001) 10.807 1.983 ( 8.376 -7.462 -1.962) 11.388 2.105 ( -0.924 2.147 9.482) 9.766 2.228 ( 2.468 -8.961 5.526) 10.813 2.452 ( -11.602 18.986 6.570) 23.200 2.692 ( -5.715 -1.403 1.143) 5.995 2.782 ( -2.239 8.252 5.358) 10.090 2.943 ( -0.923 -5.651 5.189) 7.727 3.124 ( -0.092 -0.343 14.384) 14.388 3.209 ( -2.697 -9.257 12.200) 15.550 3.339 ( 6.461 11.534 8.221) 15.568 3.395 ( -3.596 4.572 1.600) 6.032 3.600 ( -1.881 -4.633 7.271) 8.825 3.665 ( -1.879 -10.012 3.127) 10.655 3.999 ( 3.224 3.881 -3.221) 5.986 4.100 ( 4.505 -5.653 -5.650) 9.175 4.569 ( 0.881 -0.032 -4.895) 4.974 4.580 ( 1.148 -1.673 -3.107) 3.711 4.729 ( -3.515 1.707 -1.901) 4.345 4.752 ( -2.843 -0.174 1.332) 3.145 4.911 ( -1.475 2.880 -6.371) 7.146 4.973 ( -1.617 -2.477 -5.880) 6.582 7.974 ( 14.790 1.191 -12.178) 19.195 8.046 ( 14.529 -5.817 -13.437) 20.627 9.233 ( 4.551 2.438 1.806) 5.469 9.268 ( 4.805 -0.942 1.824) 5.225 9.632 ( -8.337 4.124 -9.185) 13.073 9.718 ( -7.472 -3.552 -9.429) 12.544 10.216 ( -7.574 4.632 3.803) 9.658 10.265 ( -6.996 0.238 1.378) 7.134 10.958 ( 2.715 6.720 3.845) 8.204 11.050 ( 2.793 0.332 2.001) 3.452 11.184 ( 0.493 1.945 6.421) 6.727 11.272 ( 0.265 -3.983 3.219) 5.128 19.846 ( 1.357 5.033 -1.371) 5.390 19.934 ( 1.431 -3.298 -2.817) 4.567 20.680 ( -15.090 -1.719 -9.675) 18.008 20.712 ( -13.155 -4.620 -9.092) 16.645 22.004 ( 2.721 7.906 3.243) 8.968 22.090 ( 2.741 -0.206 1.732) 3.249 22.535 ( -5.898 4.476 -1.093) 7.484 22.565 ( -5.547 1.758 -2.542) 6.350 23.154 ( 0.474 3.121 -2.616) 4.100 23.218 ( 1.596 -3.025 -3.513) 4.903 23.328 ( -1.748 -0.053 -0.827) 1.934 23.366 ( -0.130 -3.149 -2.874) 4.265 23.506 ( 12.719 2.123 0.291) 12.898 23.538 ( 13.105 -1.017 -0.568) 13.156 23.934 ( 0.909 5.532 3.005) 6.360 23.984 ( 1.872 1.968 2.256) 3.531 24.127 ( 3.087 -1.766 4.565) 5.787 24.182 ( 6.445 -5.955 4.263) 9.756 24.993 ( -6.851 0.698 2.897) 7.471 25.089 ( -6.048 -8.444 -0.020) 10.387 50.586 ( 0.487 0.853 -0.719) 1.218 50.601 ( 0.538 -0.480 -0.974) 1.212 50.734 ( -2.347 0.358 -0.400) 2.407 50.743 ( -1.916 -0.443 -0.583) 2.051 51.099 ( 3.341 4.832 -2.277) 6.300 51.180 ( 3.137 -2.876 -4.684) 6.328 51.592 ( -6.682 3.822 2.993) 8.259 51.650 ( -6.172 -1.672 1.969) 6.691 51.826 ( 2.624 0.925 0.775) 2.888 51.866 ( 3.192 -2.229 0.850) 3.985 51.912 ( 1.981 1.349 0.001) 2.396 51.966 ( 1.757 -3.472 -0.820) 3.977 52.991 ( 1.833 2.793 0.827) 3.442 53.037 ( 2.002 -1.450 -0.442) 2.511 53.263 ( -2.041 1.633 1.079) 2.828 53.322 ( -2.125 -3.841 -0.378) 4.406 ======================= Grid point 156 (59/80) ======================= q-point: ( 0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 15.352 13.819 6.160) 21.555 1.867 ( 16.501 -8.513 5.470) 19.357 1.972 ( 8.817 9.153 -0.169) 12.710 2.090 ( -2.456 9.092 10.317) 13.969 2.154 ( 7.501 -8.533 1.731) 11.493 2.216 ( -5.323 3.520 9.278) 11.261 2.287 ( -0.740 -2.467 4.570) 5.246 2.549 ( -8.430 -8.991 1.362) 12.400 2.737 ( -0.916 8.266 2.786) 8.771 2.920 ( -0.343 -8.201 5.174) 9.702 3.058 ( -10.355 -4.020 7.803) 13.575 3.140 ( -1.941 -4.479 12.123) 13.069 3.364 ( 1.373 3.740 2.056) 4.484 3.438 ( 3.486 2.548 5.991) 7.385 3.550 ( -3.177 0.067 7.247) 7.914 3.610 ( -3.469 -4.504 6.579) 8.695 4.112 ( 8.448 5.808 -4.313) 11.123 4.228 ( 8.176 -5.032 -4.753) 10.712 4.501 ( -8.051 3.758 -3.727) 9.635 4.544 ( -5.990 -1.073 -4.887) 7.805 4.719 ( 3.301 0.840 -3.319) 4.755 4.750 ( 3.158 -1.869 -1.118) 3.836 4.869 ( -2.860 1.224 -6.649) 7.341 4.922 ( -3.642 -3.146 -5.446) 7.268 8.355 ( 23.221 1.292 -10.492) 25.514 8.422 ( 22.951 -5.265 -11.624) 26.260 9.215 ( -13.428 0.925 -3.599) 13.932 9.239 ( -11.234 -1.328 -2.828) 11.660 9.566 ( 6.353 4.266 -3.844) 8.564 9.628 ( 3.607 -1.570 -5.601) 6.844 10.028 ( -11.355 3.524 2.212) 12.093 10.079 ( -11.567 -1.162 0.254) 11.628 11.026 ( 4.000 7.898 4.806) 10.073 11.106 ( 2.033 4.987 3.454) 6.398 11.193 ( 0.758 -1.641 6.443) 6.691 11.267 ( -1.049 -3.965 4.458) 6.057 19.900 ( 4.586 5.829 -2.861) 7.949 19.987 ( 4.109 -1.627 -4.400) 6.237 20.359 ( -15.826 -1.447 -6.087) 17.018 20.423 ( -14.838 -6.796 -6.774) 17.671 22.084 ( 5.469 7.962 2.596) 10.002 22.165 ( 4.798 0.724 1.421) 5.056 22.388 ( -8.387 4.991 0.655) 9.781 22.436 ( -7.422 0.875 -0.322) 7.480 23.178 ( 1.828 3.425 -3.145) 4.996 23.245 ( 0.784 -1.022 -3.876) 4.085 23.290 ( -1.360 -1.254 -2.958) 3.488 23.347 ( -1.648 -4.554 -4.424) 6.559 23.752 ( 10.742 4.820 1.947) 11.934 23.819 ( 12.613 -1.192 -0.205) 12.671 23.941 ( -0.554 6.245 3.087) 6.989 24.011 ( 0.262 0.838 1.670) 1.887 24.247 ( 10.239 0.661 4.670) 11.273 24.371 ( 12.875 -10.100 1.237) 16.410 24.800 ( -12.722 1.008 2.961) 13.101 24.916 ( -11.537 -9.961 -0.537) 15.251 50.602 ( 1.165 0.985 -1.281) 1.992 50.617 ( 1.206 -0.400 -1.551) 2.005 50.683 ( -2.659 0.544 -1.457) 3.081 50.698 ( -2.490 -0.796 -1.675) 3.105 51.186 ( 5.499 4.828 0.263) 7.322 51.264 ( 5.335 -2.545 -2.182) 6.301 51.451 ( -7.510 4.406 2.978) 9.202 51.519 ( -7.101 -2.151 1.152) 7.508 51.878 ( 2.454 1.967 0.360) 3.165 51.909 ( 1.268 1.415 -0.574) 1.984 51.956 ( 2.129 -2.904 0.958) 3.726 51.991 ( 0.627 -3.946 -0.162) 3.999 53.042 ( 3.223 3.253 0.621) 4.621 53.089 ( 2.997 -0.471 -0.817) 3.142 53.211 ( -2.982 0.149 1.058) 3.168 53.265 ( -3.546 -4.202 -0.471) 5.519 ======================= Grid point 157 (60/80) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -12.426 19.863 10.304) 25.595 1.862 ( 12.426 19.863 10.304) 25.595 2.090 ( -2.698 5.460 1.798) 6.350 2.090 ( 2.698 5.460 1.798) 6.350 2.215 ( -5.635 -6.482 12.658) 15.297 2.215 ( 5.635 -6.482 12.658) 15.297 2.366 ( -10.662 -16.143 0.709) 19.359 2.366 ( 10.662 -16.143 0.709) 19.359 2.807 ( -8.680 7.786 3.680) 12.228 2.807 ( 8.680 7.786 3.680) 12.228 3.036 ( -7.051 -12.157 4.943) 14.897 3.036 ( 7.051 -12.157 4.943) 14.897 3.434 ( -4.530 5.552 5.313) 8.921 3.434 ( 4.530 5.552 5.313) 8.921 3.540 ( -3.369 -3.782 7.496) 9.047 3.540 ( 3.369 -3.782 7.496) 9.047 4.307 ( -10.821 6.290 -3.227) 12.926 4.307 ( 10.821 6.290 -3.227) 12.926 4.395 ( -8.545 -2.395 -4.728) 10.055 4.395 ( 8.545 -2.395 -4.728) 10.055 4.799 ( -3.830 0.337 -5.409) 6.636 4.799 ( 3.830 0.337 -5.409) 6.636 4.838 ( -4.625 -2.901 -4.300) 6.950 4.838 ( 4.625 -2.901 -4.300) 6.950 8.823 ( -23.755 1.403 -8.212) 25.173 8.823 ( 23.755 1.403 -8.212) 25.173 8.881 ( -22.954 -4.265 -8.862) 24.972 8.881 ( 22.954 -4.265 -8.862) 24.972 9.747 ( -5.462 7.052 -0.383) 8.928 9.747 ( 5.462 7.052 -0.383) 8.928 9.862 ( -5.581 -4.165 -0.336) 6.972 9.862 ( 5.581 -4.165 -0.336) 6.972 11.096 ( -2.697 8.597 5.419) 10.514 11.096 ( 2.697 8.597 5.419) 10.514 11.230 ( -2.519 -4.484 5.044) 7.203 11.230 ( 2.519 -4.484 5.044) 7.203 20.020 ( -5.606 8.009 -5.946) 11.442 20.020 ( 5.606 8.009 -5.946) 11.442 20.200 ( -5.114 -9.931 -3.600) 11.736 20.200 ( 5.114 -9.931 -3.600) 11.736 22.205 ( -5.823 8.273 0.731) 10.143 22.205 ( 5.823 8.273 0.731) 10.143 22.302 ( -4.981 -1.015 1.996) 5.461 22.302 ( 4.981 -1.015 1.996) 5.461 23.220 ( -2.328 3.307 -3.088) 5.089 23.220 ( 2.328 3.307 -3.088) 5.089 23.308 ( -2.134 -5.015 -4.812) 7.271 23.308 ( 2.134 -5.015 -4.812) 7.271 23.896 ( -4.347 6.480 3.180) 8.426 23.896 ( 4.347 6.480 3.180) 8.426 23.977 ( -4.165 -0.593 0.908) 4.304 23.977 ( 4.165 -0.593 0.908) 4.304 24.513 ( -15.118 1.798 3.126) 15.542 24.513 ( 15.118 1.798 3.126) 15.542 24.656 ( -14.382 -11.598 -0.326) 18.479 24.656 ( 14.382 -11.598 -0.326) 18.479 50.631 ( -1.424 1.320 -1.878) 2.702 50.631 ( 1.424 1.320 -1.878) 2.702 50.655 ( -1.438 -1.152 -1.732) 2.529 50.655 ( 1.438 -1.152 -1.732) 2.529 51.307 ( -6.697 4.930 2.093) 8.575 51.307 ( 6.697 4.930 2.093) 8.575 51.384 ( -6.496 -2.555 -0.214) 6.984 51.384 ( 6.496 -2.555 -0.214) 6.984 51.913 ( -0.940 2.679 0.094) 2.841 51.913 ( 0.940 2.679 0.094) 2.841 51.987 ( -1.003 -4.412 0.229) 4.530 51.987 ( 1.003 -4.412 0.229) 4.530 53.105 ( -2.558 4.138 0.005) 4.865 53.105 ( 2.558 4.138 0.005) 4.865 53.197 ( -2.726 -4.875 0.012) 5.586 53.197 ( 2.726 -4.875 0.012) 5.586 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 0.000 13.942) 13.942 1.331 ( 0.000 0.000 -10.794) 10.794 1.456 ( 0.000 0.000 18.666) 18.666 1.796 ( 0.000 0.000 -14.717) 14.717 2.184 ( 0.000 0.000 2.946) 2.946 2.260 ( 0.000 0.000 -4.403) 4.403 2.593 ( 0.000 0.000 13.089) 13.089 2.623 ( 0.000 0.000 17.250) 17.250 3.029 ( 0.000 0.000 13.640) 13.640 3.253 ( 0.000 0.000 1.949) 1.949 3.450 ( 0.000 0.000 -2.113) 2.113 3.563 ( 0.000 0.000 -7.982) 7.982 3.601 ( 0.000 0.000 1.804) 1.804 3.647 ( 0.000 0.000 -2.685) 2.685 3.675 ( 0.000 0.000 8.686) 8.686 3.911 ( 0.000 0.000 -9.661) 9.661 3.954 ( 0.000 0.000 5.509) 5.509 4.056 ( 0.000 0.000 -4.502) 4.502 4.175 ( 0.000 0.000 -0.040) 0.040 4.263 ( 0.000 0.000 -5.815) 5.815 4.659 ( 0.000 0.000 -2.461) 2.461 4.671 ( 0.000 0.000 -4.459) 4.459 5.007 ( 0.000 0.000 2.204) 2.204 5.098 ( 0.000 0.000 -5.240) 5.240 8.365 ( 0.000 0.000 2.793) 2.793 8.480 ( 0.000 0.000 -8.300) 8.300 8.949 ( 0.000 0.000 2.917) 2.917 8.985 ( 0.000 0.000 -1.010) 1.010 9.155 ( 0.000 0.000 8.280) 8.280 9.381 ( 0.000 0.000 -12.155) 12.155 10.187 ( 0.000 0.000 10.542) 10.542 10.360 ( 0.000 0.000 4.536) 4.536 10.403 ( 0.000 0.000 -8.213) 8.213 10.476 ( 0.000 0.000 -6.637) 6.637 11.078 ( 0.000 0.000 6.893) 6.893 11.221 ( 0.000 0.000 -5.762) 5.762 19.516 ( 0.000 0.000 0.917) 0.917 19.529 ( 0.000 0.000 -0.335) 0.335 21.343 ( 0.000 0.000 4.715) 4.715 21.453 ( 0.000 0.000 -5.939) 5.939 21.736 ( 0.000 0.000 2.262) 2.262 21.789 ( 0.000 0.000 -2.851) 2.851 21.951 ( 0.000 0.000 9.370) 9.370 22.120 ( 0.000 0.000 -7.115) 7.115 23.128 ( 0.000 0.000 7.929) 7.929 23.257 ( 0.000 0.000 -2.653) 2.653 23.343 ( 0.000 0.000 2.442) 2.442 23.377 ( 0.000 0.000 -2.640) 2.640 23.387 ( 0.000 0.000 -5.459) 5.459 23.401 ( 0.000 0.000 -3.103) 3.103 23.569 ( 0.000 0.000 3.737) 3.737 23.639 ( 0.000 0.000 -3.061) 3.061 24.496 ( 0.000 0.000 3.358) 3.358 24.563 ( 0.000 0.000 -3.115) 3.115 25.554 ( 0.000 0.000 7.570) 7.570 25.700 ( 0.000 0.000 -6.656) 6.656 50.543 ( 0.000 0.000 0.514) 0.514 50.548 ( 0.000 0.000 0.061) 0.061 50.802 ( 0.000 0.000 -0.133) 0.133 50.803 ( 0.000 0.000 -0.238) 0.238 50.874 ( 0.000 0.000 4.826) 4.826 50.985 ( 0.000 0.000 -6.113) 6.113 51.488 ( 0.000 0.000 1.547) 1.547 51.522 ( 0.000 0.000 -1.761) 1.761 51.872 ( 0.000 0.000 2.927) 2.927 51.917 ( 0.000 0.000 -1.487) 1.487 52.072 ( 0.000 0.000 2.910) 2.910 52.134 ( 0.000 0.000 -3.057) 3.057 52.872 ( 0.000 0.000 2.721) 2.721 52.931 ( 0.000 0.000 -3.053) 3.053 53.432 ( 0.000 0.000 5.426) 5.426 53.541 ( 0.000 0.000 -5.181) 5.181 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 11.660 0.000 12.046) 16.765 1.426 ( 9.209 0.000 -9.845) 13.480 1.547 ( 8.865 0.000 16.696) 18.903 1.841 ( 4.475 0.000 -11.673) 12.501 2.138 ( -4.685 0.000 3.847) 6.062 2.232 ( -3.286 0.000 -5.226) 6.173 2.504 ( -3.939 0.000 17.978) 18.404 2.665 ( -0.626 0.000 3.068) 3.131 2.910 ( -11.663 0.000 14.023) 18.239 3.140 ( -10.654 0.000 -4.999) 11.769 3.401 ( 1.170 0.000 9.205) 9.279 3.611 ( 2.196 0.000 1.058) 2.438 3.619 ( 1.919 0.000 1.595) 2.495 3.658 ( 1.314 0.000 -2.176) 2.542 3.751 ( 6.012 0.000 2.353) 6.457 3.928 ( -2.597 0.000 5.015) 5.647 3.971 ( 3.603 0.000 -10.901) 11.481 4.023 ( -3.371 0.000 -4.219) 5.400 4.236 ( 5.061 0.000 3.959) 6.426 4.377 ( 10.007 0.000 -8.640) 13.221 4.619 ( -2.386 0.000 0.778) 2.510 4.688 ( 1.195 0.000 -6.146) 6.262 4.980 ( -2.390 0.000 1.995) 3.113 5.081 ( -1.956 0.000 -6.384) 6.677 8.518 ( 15.197 0.000 3.536) 15.603 8.644 ( 16.107 0.000 -8.577) 18.248 8.982 ( 3.003 0.000 2.718) 4.050 9.019 ( 3.560 0.000 -0.841) 3.658 9.157 ( 0.117 0.000 8.331) 8.332 9.375 ( -0.799 0.000 -11.017) 11.045 10.162 ( -2.164 0.000 8.734) 8.998 10.250 ( -11.056 0.000 5.136) 12.190 10.360 ( -4.241 0.000 -8.402) 9.412 10.376 ( -10.162 0.000 -7.030) 12.357 11.096 ( 1.739 0.000 6.655) 6.878 11.222 ( -0.018 0.000 -4.695) 4.695 19.518 ( 0.205 0.000 0.838) 0.863 19.530 ( 0.032 0.000 -0.251) 0.253 21.343 ( 0.043 0.000 3.698) 3.698 21.436 ( -1.684 0.000 -5.224) 5.489 21.730 ( -0.493 0.000 1.898) 1.961 21.775 ( -1.255 0.000 -2.465) 2.766 21.783 ( -14.563 0.000 6.958) 16.140 21.858 ( -20.870 0.000 0.576) 20.878 23.095 ( 0.784 0.000 6.057) 6.107 23.241 ( -0.745 0.000 -7.330) 7.367 23.352 ( 0.821 0.000 2.202) 2.350 23.402 ( 0.029 0.000 -2.498) 2.498 23.504 ( 8.189 0.000 0.649) 8.215 23.560 ( 10.151 0.000 -4.608) 11.148 23.576 ( 0.654 0.000 3.053) 3.123 23.637 ( -0.255 0.000 -2.786) 2.798 24.560 ( 7.057 0.000 6.282) 9.448 24.703 ( 13.112 0.000 -8.135) 15.430 25.514 ( -4.019 0.000 8.071) 9.016 25.673 ( -2.800 0.000 -7.552) 8.055 50.543 ( 0.033 0.000 0.484) 0.485 50.547 ( -0.031 0.000 0.092) 0.097 50.802 ( 0.004 0.000 -0.140) 0.140 50.803 ( -0.012 0.000 -0.231) 0.232 50.879 ( 0.555 0.000 5.066) 5.097 50.992 ( 0.475 0.000 -5.949) 5.968 51.373 ( -8.224 0.000 5.296) 9.782 51.470 ( -5.563 0.000 -4.412) 7.100 51.898 ( 1.863 0.000 1.947) 2.695 51.930 ( 0.996 0.000 -1.126) 1.503 52.125 ( 4.264 0.000 1.852) 4.649 52.167 ( 2.806 0.000 -2.266) 3.607 52.883 ( 1.103 0.000 2.489) 2.722 52.937 ( 0.537 0.000 -2.836) 2.887 53.447 ( 1.402 0.000 4.168) 4.398 53.537 ( -0.361 0.000 -4.550) 4.565 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 15.734 0.000 8.820) 18.038 1.654 ( 13.367 0.000 -8.069) 15.614 1.767 ( 12.702 0.000 11.795) 17.334 1.951 ( 5.852 0.000 -5.513) 8.040 2.003 ( -9.358 0.000 5.193) 10.702 2.120 ( -8.360 0.000 -6.199) 10.407 2.440 ( -3.682 0.000 13.521) 14.013 2.600 ( -8.985 0.000 2.605) 9.356 2.681 ( -4.812 0.000 8.285) 9.581 2.916 ( -11.075 0.000 -8.275) 13.825 3.482 ( 5.340 0.000 15.332) 16.236 3.628 ( -0.808 0.000 6.482) 6.532 3.673 ( 3.505 0.000 1.564) 3.838 3.706 ( 3.619 0.000 -1.578) 3.948 3.860 ( -4.078 0.000 3.732) 5.528 3.867 ( 5.712 0.000 1.392) 5.879 3.934 ( -5.501 0.000 -3.413) 6.474 4.009 ( 0.247 0.000 -9.261) 9.264 4.326 ( 3.440 0.000 6.315) 7.191 4.462 ( -2.738 0.000 -4.380) 5.166 4.684 ( 9.212 0.000 -3.571) 9.880 4.739 ( 4.515 0.000 -6.401) 7.834 4.923 ( -3.412 0.000 0.624) 3.468 5.017 ( -4.742 0.000 -7.538) 8.906 8.907 ( 23.211 0.000 4.653) 23.673 9.045 ( 22.948 0.000 -8.666) 24.530 9.048 ( 3.534 0.000 3.296) 4.832 9.108 ( 3.978 0.000 -2.350) 4.620 9.163 ( 1.536 0.000 8.642) 8.778 9.341 ( -2.967 0.000 -7.184) 7.773 9.957 ( -17.988 0.000 5.937) 18.942 10.095 ( -18.228 0.000 -7.442) 19.688 10.128 ( -0.571 0.000 3.291) 3.341 10.256 ( -5.883 0.000 -7.463) 9.503 11.139 ( 2.494 0.000 5.064) 5.645 11.214 ( -0.933 0.000 -1.831) 2.055 19.523 ( 0.274 0.000 0.616) 0.674 19.530 ( -0.033 0.000 -0.017) 0.037 21.348 ( 0.597 0.000 1.241) 1.377 21.393 ( -2.598 0.000 -2.306) 3.474 21.493 ( -12.826 0.000 6.721) 14.480 21.518 ( -11.922 0.000 3.024) 12.300 21.722 ( -0.257 0.000 0.957) 0.991 21.747 ( -1.469 0.000 -1.489) 2.091 23.149 ( 3.952 0.000 3.843) 5.512 23.245 ( 0.218 0.000 -4.541) 4.547 23.371 ( 1.074 0.000 1.528) 1.867 23.400 ( -0.274 0.000 -1.062) 1.096 23.593 ( 1.033 0.000 1.366) 1.713 23.600 ( 2.779 0.000 0.340) 2.799 23.628 ( -0.609 0.000 -1.938) 2.031 23.673 ( 1.288 0.000 -6.193) 6.325 24.764 ( 12.821 0.000 9.883) 16.188 24.968 ( 10.736 0.000 -9.655) 14.439 25.422 ( -3.871 0.000 6.089) 7.216 25.588 ( -5.996 0.000 -9.227) 11.004 50.544 ( 0.056 0.000 0.401) 0.405 50.546 ( -0.054 0.000 0.175) 0.183 50.802 ( 0.009 0.000 -0.160) 0.160 50.803 ( -0.017 0.000 -0.212) 0.213 50.900 ( 1.712 0.000 5.136) 5.413 50.989 ( -1.195 0.000 -2.752) 3.000 51.249 ( -3.371 0.000 3.793) 5.075 51.348 ( -6.181 0.000 -5.185) 8.067 51.930 ( 1.353 0.000 1.094) 1.740 51.946 ( 0.561 0.000 -0.453) 0.720 52.198 ( 2.800 0.000 0.666) 2.878 52.216 ( 1.749 0.000 -1.043) 2.036 52.910 ( 1.492 0.000 1.602) 2.189 52.944 ( 0.005 0.000 -1.752) 1.752 53.479 ( 1.684 0.000 1.524) 2.271 53.527 ( -0.752 0.000 -2.990) 3.083 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -13.660 0.000 6.404) 15.086 1.774 ( 13.660 0.000 6.404) 15.086 1.914 ( -12.357 0.000 -6.693) 14.053 1.914 ( 12.357 0.000 -6.693) 14.053 1.975 ( -6.031 0.000 2.979) 6.727 1.975 ( 6.031 0.000 2.979) 6.727 2.416 ( -4.632 0.000 11.772) 12.650 2.416 ( 4.632 0.000 11.772) 12.650 2.737 ( -7.009 0.000 -5.160) 8.704 2.737 ( 7.009 0.000 -5.160) 8.704 3.577 ( -4.127 0.000 11.336) 12.064 3.577 ( 4.127 0.000 11.336) 12.064 3.744 ( -2.758 0.000 1.606) 3.191 3.744 ( 2.758 0.000 1.606) 3.191 3.829 ( -3.945 0.000 -1.452) 4.204 3.829 ( 3.945 0.000 -1.452) 4.204 3.969 ( -4.260 0.000 -1.134) 4.409 3.969 ( 4.260 0.000 -1.134) 4.409 4.389 ( -3.690 0.000 0.471) 3.720 4.389 ( 3.690 0.000 0.471) 3.720 4.814 ( -3.091 0.000 -4.285) 5.284 4.814 ( 3.091 0.000 -4.285) 5.284 4.903 ( -5.692 0.000 -5.478) 7.900 4.903 ( 5.692 0.000 -5.478) 7.900 9.107 ( -2.270 0.000 3.618) 4.271 9.107 ( 2.270 0.000 3.618) 4.271 9.256 ( -5.606 0.000 -1.317) 5.759 9.256 ( 5.606 0.000 -1.317) 5.759 9.299 ( -9.099 0.000 0.204) 9.101 9.299 ( 9.099 0.000 0.204) 9.101 9.755 ( -9.111 0.000 -2.597) 9.474 9.755 ( 9.111 0.000 -2.597) 9.474 10.158 ( -3.646 0.000 -3.440) 5.012 10.158 ( 3.646 0.000 -3.440) 5.012 11.185 ( -2.054 0.000 1.868) 2.776 11.185 ( 2.054 0.000 1.868) 2.776 19.528 ( -0.179 0.000 0.303) 0.352 19.528 ( 0.179 0.000 0.303) 0.352 21.353 ( -0.745 0.000 3.789) 3.862 21.353 ( 0.745 0.000 3.789) 3.862 21.389 ( -2.276 0.000 0.556) 2.342 21.389 ( 2.276 0.000 0.556) 2.342 21.725 ( -0.670 0.000 -0.259) 0.718 21.725 ( 0.670 0.000 -0.259) 0.718 23.221 ( -2.834 0.000 0.615) 2.900 23.221 ( 2.834 0.000 0.615) 2.900 23.390 ( -0.771 0.000 0.427) 0.881 23.390 ( 0.771 0.000 0.427) 0.881 23.613 ( -0.964 0.000 -0.498) 1.085 23.613 ( 0.964 0.000 -0.498) 1.085 23.649 ( -2.511 0.000 -4.004) 4.727 23.649 ( 2.511 0.000 -4.004) 4.727 24.990 ( -8.188 0.000 5.744) 10.001 24.990 ( 8.188 0.000 5.744) 10.001 25.454 ( -6.693 0.000 -7.215) 9.841 25.454 ( 6.693 0.000 -7.215) 9.841 50.545 ( -0.064 0.000 0.288) 0.295 50.545 ( 0.064 0.000 0.288) 0.295 50.803 ( -0.015 0.000 -0.186) 0.187 50.803 ( 0.015 0.000 -0.186) 0.187 50.945 ( -2.794 0.000 3.244) 4.282 50.945 ( 2.794 0.000 3.244) 4.282 51.253 ( -3.197 0.000 -2.709) 4.191 51.253 ( 3.197 0.000 -2.709) 4.191 51.948 ( -0.430 0.000 0.345) 0.552 51.948 ( 0.430 0.000 0.345) 0.552 52.229 ( -0.432 0.000 -0.122) 0.449 52.229 ( 0.432 0.000 -0.122) 0.449 52.935 ( -0.964 0.000 0.014) 0.964 52.935 ( 0.964 0.000 0.014) 0.964 53.508 ( -1.234 0.000 -0.959) 1.563 53.508 ( 1.234 0.000 -0.959) 1.563 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 18.809 10.030) 21.316 1.443 ( 0.000 7.534 0.767) 7.573 1.623 ( 0.000 16.547 5.220) 17.351 1.763 ( 0.000 -4.374 -5.311) 6.880 2.145 ( 0.000 -0.386 -1.273) 1.331 2.166 ( 0.000 -7.358 -3.497) 8.147 2.548 ( 0.000 -4.104 12.756) 13.400 2.600 ( 0.000 -2.029 15.421) 15.554 2.945 ( 0.000 -10.518 3.140) 10.977 3.012 ( 0.000 -17.231 -1.149) 17.269 3.265 ( 0.000 -9.407 6.646) 11.518 3.459 ( 0.000 0.038 -6.061) 6.061 3.633 ( 0.000 0.540 11.212) 11.225 3.761 ( 0.000 4.453 0.850) 4.533 3.976 ( 0.000 1.739 4.187) 4.534 3.978 ( 0.000 3.854 -0.959) 3.971 4.040 ( 0.000 19.858 -5.690) 20.657 4.065 ( 0.000 0.121 -0.710) 0.720 4.159 ( 0.000 2.335 -5.770) 6.224 4.214 ( 0.000 -4.405 -6.192) 7.599 4.644 ( 0.000 -1.253 -2.667) 2.946 4.662 ( 0.000 -0.645 -4.608) 4.653 4.982 ( 0.000 -2.296 0.778) 2.424 5.044 ( 0.000 -5.041 -4.081) 6.486 8.194 ( 0.000 -13.316 2.610) 13.570 8.321 ( 0.000 -12.935 -9.418) 16.000 9.009 ( 0.000 4.427 2.310) 4.993 9.046 ( 0.000 4.824 -1.330) 5.004 9.317 ( 0.000 13.348 7.990) 15.556 9.504 ( 0.000 9.328 -9.005) 12.965 10.053 ( 0.000 -6.502 7.120) 9.642 10.256 ( 0.000 -8.082 -11.526) 14.077 10.534 ( 0.000 11.276 5.521) 12.555 10.614 ( 0.000 7.933 -0.418) 7.944 11.142 ( 0.000 5.344 4.137) 6.758 11.245 ( 0.000 2.050 -4.485) 4.931 19.556 ( 0.000 3.683 1.603) 4.017 19.600 ( 0.000 6.198 -2.884) 6.836 21.399 ( 0.000 3.275 4.729) 5.753 21.498 ( 0.000 -6.799 -3.491) 7.643 21.544 ( 0.000 -13.253 0.182) 13.255 21.548 ( 0.000 -2.875 -1.727) 3.354 22.141 ( 0.000 10.459 4.775) 11.498 22.244 ( 0.000 8.100 -5.026) 9.532 23.140 ( 0.000 1.175 7.595) 7.685 23.261 ( 0.000 0.519 -2.016) 2.081 23.312 ( 0.000 -2.062 0.151) 2.068 23.352 ( 0.000 -1.433 -3.231) 3.534 23.423 ( 0.000 1.811 -2.820) 3.351 23.430 ( 0.000 1.547 -2.188) 2.680 23.589 ( 0.000 2.441 3.235) 4.053 23.656 ( 0.000 1.929 -3.090) 3.643 24.465 ( 0.000 -3.064 3.123) 4.375 24.517 ( 0.000 -4.163 -1.860) 4.560 25.506 ( 0.000 -4.624 7.307) 8.647 25.645 ( 0.000 -5.319 -6.215) 8.180 50.548 ( 0.000 0.504 0.095) 0.513 50.549 ( 0.000 0.119 0.094) 0.152 50.789 ( 0.000 -1.044 0.029) 1.044 50.791 ( 0.000 -0.888 -0.233) 0.918 50.888 ( 0.000 1.264 4.531) 4.704 50.997 ( 0.000 1.109 -6.133) 6.233 51.512 ( 0.000 2.239 1.828) 2.890 51.553 ( 0.000 2.733 -2.160) 3.483 51.876 ( 0.000 0.272 2.513) 2.528 51.913 ( 0.000 -0.479 -1.130) 1.227 52.051 ( 0.000 -1.992 3.052) 3.644 52.113 ( 0.000 -1.978 -2.920) 3.527 52.881 ( 0.000 0.946 2.615) 2.781 52.938 ( 0.000 0.729 -2.947) 3.036 53.418 ( 0.000 -1.379 5.153) 5.334 53.519 ( 0.000 -2.065 -4.690) 5.124 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.427 9.911 13.352) 16.805 1.544 ( 5.850 8.685 -9.170) 13.919 1.716 ( 10.247 14.439 8.503) 19.641 1.802 ( 3.391 -4.326 -0.358) 5.508 2.107 ( -3.337 -3.742 0.127) 5.016 2.156 ( -1.105 -0.915 -4.406) 4.633 2.499 ( -2.187 -0.227 15.061) 15.221 2.636 ( 0.509 -2.822 3.203) 4.299 2.899 ( -4.687 -3.614 8.086) 10.021 3.005 ( -1.151 -11.760 -2.617) 12.102 3.329 ( 6.420 -8.566 7.640) 13.151 3.470 ( 0.591 -1.016 -1.542) 1.939 3.575 ( -3.074 -1.316 8.816) 9.429 3.740 ( -2.260 0.886 -2.882) 3.768 3.890 ( -5.059 5.650 0.914) 7.639 3.969 ( -1.089 4.195 6.694) 7.974 3.992 ( -3.151 3.077 -6.256) 7.650 4.140 ( 3.580 7.057 -4.670) 9.188 4.187 ( 3.440 -3.810 1.455) 5.335 4.362 ( 9.534 -0.155 -9.913) 13.755 4.611 ( -1.286 -0.518 1.176) 1.818 4.688 ( 1.899 0.270 -6.088) 6.383 4.952 ( -2.579 -2.567 1.071) 3.793 5.031 ( -1.674 -4.573 -5.488) 7.337 8.338 ( 14.233 -13.546 3.197) 19.907 8.472 ( 14.787 -13.448 -9.414) 22.094 9.046 ( 3.470 4.789 2.131) 6.286 9.084 ( 3.775 4.930 -1.510) 6.390 9.317 ( -0.010 12.564 7.742) 14.758 9.486 ( -2.153 7.601 -7.306) 10.760 10.001 ( -5.159 -6.052 5.583) 9.717 10.183 ( -7.422 -7.996 -10.918) 15.435 10.472 ( -5.777 12.989 5.489) 15.238 10.560 ( -5.229 9.361 -1.618) 10.844 11.156 ( 1.353 5.081 4.384) 6.846 11.248 ( 0.168 2.202 -3.561) 4.190 19.555 ( -0.141 3.371 1.333) 3.628 19.593 ( -0.737 5.582 -2.558) 6.185 21.392 ( -2.426 -4.305 3.083) 5.824 21.414 ( -9.422 -17.907 1.418) 20.284 21.454 ( -6.543 -5.468 1.601) 8.676 21.522 ( -1.478 5.424 -5.274) 7.709 22.064 ( -6.143 12.300 2.972) 14.066 22.099 ( -10.056 12.226 0.233) 15.832 23.100 ( 0.271 0.462 5.883) 5.908 23.237 ( -0.914 -0.327 -6.621) 6.691 23.373 ( 1.598 1.675 1.584) 2.805 23.410 ( -0.182 0.483 -1.737) 1.812 23.500 ( 7.555 -0.543 0.095) 7.575 23.536 ( 8.877 -1.541 -2.501) 9.350 23.608 ( 1.871 2.778 1.327) 3.603 23.660 ( 0.717 2.448 -2.803) 3.790 24.525 ( 6.662 -3.380 5.714) 9.406 24.646 ( 12.211 -5.304 -6.308) 14.732 25.462 ( -4.391 -4.936 7.840) 10.252 25.614 ( -3.210 -5.710 -7.037) 9.614 50.548 ( -0.042 0.430 0.092) 0.442 50.548 ( -0.050 0.123 0.089) 0.160 50.779 ( -0.995 -1.722 0.160) 1.995 50.782 ( -0.735 -1.628 -0.239) 1.802 50.907 ( 1.844 2.325 4.502) 5.392 51.014 ( 1.590 1.944 -5.880) 6.394 51.408 ( -7.959 3.151 4.770) 9.799 51.497 ( -5.603 2.443 -4.088) 7.354 51.895 ( 1.438 -0.333 1.666) 2.225 51.921 ( 0.717 -0.912 -0.824) 1.423 52.107 ( 4.444 -1.707 1.948) 5.144 52.149 ( 2.979 -1.774 -2.101) 4.053 52.893 ( 1.109 0.955 2.398) 2.810 52.945 ( 0.584 0.774 -2.748) 2.914 53.428 ( 0.994 -1.797 4.087) 4.574 53.513 ( -0.565 -2.266 -4.135) 4.748 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 8.273 -0.737 12.412) 14.934 1.639 ( 3.871 -2.051 -8.124) 9.230 1.827 ( -1.743 -4.278 4.524) 6.466 1.919 ( 3.756 1.553 -2.950) 5.023 2.066 ( 3.078 5.145 6.185) 8.614 2.161 ( 2.970 9.256 -2.104) 9.946 2.467 ( -1.311 2.386 12.139) 12.441 2.634 ( -0.446 1.233 -3.383) 3.628 2.780 ( -5.944 8.329 9.577) 14.015 2.937 ( -5.931 0.487 -4.205) 7.287 3.455 ( 3.192 -1.226 11.559) 12.054 3.504 ( 5.002 -8.694 1.804) 10.191 3.570 ( 2.103 -5.760 3.351) 6.988 3.688 ( -2.561 -6.224 -2.435) 7.158 3.823 ( -1.790 1.585 4.447) 5.049 3.913 ( -4.365 1.160 4.538) 6.403 3.971 ( 1.480 4.509 -1.851) 5.094 4.140 ( -2.897 5.657 -9.780) 11.664 4.273 ( 3.859 -4.478 6.052) 8.460 4.417 ( -3.036 -3.946 -5.075) 7.109 4.691 ( 8.498 0.590 -2.815) 8.971 4.741 ( 3.639 0.565 -5.585) 6.690 4.897 ( -2.899 -2.120 0.098) 3.593 4.974 ( -4.157 -3.663 -6.683) 8.681 8.697 ( 21.111 -13.661 4.243) 25.501 8.836 ( 20.706 -13.655 -8.483) 26.214 9.121 ( 3.278 4.454 2.042) 5.896 9.173 ( 4.645 5.064 -2.455) 7.297 9.310 ( -0.924 7.851 5.267) 9.499 9.397 ( -7.795 0.964 -2.352) 8.199 9.870 ( -7.348 -1.203 2.617) 7.892 9.984 ( -12.105 -4.940 -8.062) 15.360 10.358 ( -4.429 15.669 3.300) 16.614 10.436 ( -6.681 12.406 -3.196) 14.449 11.190 ( 1.978 4.375 3.881) 6.173 11.246 ( -0.545 2.709 -1.146) 2.991 19.553 ( 0.047 2.841 0.580) 2.900 19.575 ( -0.991 4.150 -1.662) 4.579 21.208 ( -9.094 -18.610 4.150) 21.125 21.230 ( -9.207 -17.616 1.727) 19.952 21.431 ( 0.985 7.942 1.554) 8.152 21.492 ( -1.683 7.706 -4.369) 9.017 21.954 ( -3.961 13.421 2.829) 14.277 21.968 ( -4.049 13.183 1.162) 13.840 23.144 ( 3.497 -0.450 3.774) 5.164 23.238 ( 0.091 -0.640 -4.424) 4.471 23.386 ( -0.097 0.595 0.671) 0.902 23.399 ( -0.382 0.117 -0.837) 0.927 23.597 ( 3.085 0.408 0.351) 3.132 23.626 ( 1.200 2.714 2.264) 3.732 23.645 ( 1.546 1.818 -3.542) 4.270 23.695 ( 1.348 2.189 -4.582) 5.253 24.720 ( 12.477 -4.207 9.137) 16.027 24.905 ( 11.399 -5.921 -8.789) 15.564 25.357 ( -5.016 -6.173 6.658) 10.373 25.518 ( -6.641 -6.709 -8.536) 12.727 50.547 ( -0.040 0.283 0.086) 0.298 50.547 ( -0.052 0.132 0.082) 0.164 50.761 ( -0.666 -2.818 0.219) 2.904 50.766 ( -0.781 -2.662 -0.326) 2.793 50.955 ( 2.996 4.183 4.603) 6.904 51.044 ( 0.751 4.350 -3.444) 5.599 51.275 ( -4.408 2.485 4.087) 6.505 51.372 ( -6.459 2.245 -4.903) 8.414 51.921 ( 1.169 -0.826 0.944) 1.714 51.934 ( 0.533 -1.121 -0.302) 1.278 52.182 ( 2.892 -1.517 0.761) 3.353 52.200 ( 1.861 -1.549 -0.919) 2.590 52.920 ( 1.505 0.985 1.558) 2.380 52.953 ( 0.074 0.908 -1.721) 1.948 53.452 ( 1.346 -2.550 1.680) 3.337 53.498 ( -0.959 -2.680 -2.712) 3.931 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -8.312 -8.913 6.648) 13.882 1.598 ( 8.312 -8.913 6.648) 13.882 1.848 ( -5.388 -2.633 -5.333) 8.025 1.848 ( 5.388 -2.633 -5.333) 8.025 2.184 ( -3.777 9.843 3.608) 11.143 2.184 ( 3.777 9.843 3.608) 11.143 2.522 ( -8.045 8.331 8.386) 14.299 2.522 ( 8.045 8.331 8.386) 14.299 2.805 ( -6.542 6.835 -2.665) 9.829 2.805 ( 6.542 6.835 -2.665) 9.829 3.510 ( -3.021 -3.408 6.104) 7.616 3.510 ( 3.021 -3.408 6.104) 7.616 3.649 ( -2.960 -9.745 0.451) 10.195 3.649 ( 2.960 -9.745 0.451) 10.195 3.831 ( -2.994 1.147 6.428) 7.183 3.831 ( 2.994 1.147 6.428) 7.183 4.045 ( -5.588 3.634 -3.777) 7.662 4.045 ( 5.588 3.634 -3.777) 7.662 4.343 ( -3.784 -3.918 -0.553) 5.475 4.343 ( 3.784 -3.918 -0.553) 5.475 4.806 ( -1.487 -0.887 -4.309) 4.644 4.806 ( 1.487 -0.887 -4.309) 4.644 4.877 ( -4.446 -1.823 -4.453) 6.551 4.877 ( 4.446 -1.823 -4.453) 6.551 9.066 ( -13.032 -7.437 4.145) 15.566 9.066 ( 13.032 -7.437 4.145) 15.566 9.177 ( -12.755 -6.097 -2.857) 14.423 9.177 ( 12.755 -6.097 -2.857) 14.423 9.262 ( -3.832 1.356 -2.448) 4.745 9.262 ( 3.832 1.356 -2.448) 4.745 9.803 ( -3.261 4.121 -0.897) 5.331 9.803 ( 3.261 4.121 -0.897) 5.331 10.339 ( -2.506 14.962 -1.502) 15.244 10.339 ( 2.506 14.962 -1.502) 15.244 11.225 ( -1.553 3.501 1.766) 4.217 11.225 ( 1.553 3.501 1.766) 4.217 19.559 ( -0.594 2.978 -0.497) 3.077 19.559 ( 0.594 2.978 -0.497) 3.077 21.124 ( -0.839 -17.585 3.423) 17.935 21.124 ( 0.839 -17.585 3.423) 17.935 21.458 ( -1.693 8.328 -1.588) 8.645 21.458 ( 1.693 8.328 -1.588) 8.645 21.923 ( -0.503 12.879 1.835) 13.019 21.923 ( 0.503 12.879 1.835) 13.019 23.211 ( -2.885 -0.872 0.744) 3.104 23.211 ( 2.885 -0.872 0.744) 3.104 23.390 ( -0.595 -0.265 -0.878) 1.094 23.390 ( 0.595 -0.265 -0.878) 1.094 23.630 ( -0.619 1.904 0.984) 2.231 23.630 ( 0.619 1.904 0.984) 2.231 23.682 ( -2.022 3.050 -4.169) 5.547 23.682 ( 2.022 3.050 -4.169) 5.547 24.943 ( -7.987 -4.494 5.335) 10.604 24.943 ( 7.987 -4.494 5.335) 10.604 25.373 ( -6.896 -7.717 -6.223) 12.076 25.373 ( 6.896 -7.717 -6.223) 12.076 50.546 ( -0.006 0.173 0.082) 0.192 50.546 ( 0.006 0.173 0.082) 0.192 50.756 ( -0.181 -3.182 -0.082) 3.188 50.756 ( 0.181 -3.182 -0.082) 3.188 51.018 ( -3.077 5.689 3.026) 7.140 51.018 ( 3.077 5.689 3.026) 7.140 51.270 ( -3.454 1.588 -2.753) 4.693 51.270 ( 3.454 1.588 -2.753) 4.693 51.937 ( -0.346 -1.042 0.337) 1.148 51.937 ( 0.346 -1.042 0.337) 1.148 52.214 ( -0.428 -1.450 -0.027) 1.512 52.214 ( 0.428 -1.450 -0.027) 1.512 52.945 ( -0.948 0.999 0.009) 1.377 52.945 ( 0.948 0.999 0.009) 1.377 53.477 ( -1.215 -2.888 -0.749) 3.221 53.477 ( 1.215 -2.888 -0.749) 3.221 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 -11.258 3.352) 11.747 1.528 ( 0.000 -1.337 -5.391) 5.554 1.866 ( 0.000 17.129 9.188) 19.438 1.962 ( 0.000 7.042 2.365) 7.428 2.113 ( 0.000 8.273 8.646) 11.966 2.258 ( 0.000 10.840 -3.247) 11.316 2.480 ( 0.000 1.347 2.990) 3.280 2.553 ( 0.000 -2.824 7.732) 8.232 2.644 ( 0.000 -15.036 -5.653) 16.063 2.682 ( 0.000 -13.712 -1.163) 13.762 3.187 ( 0.000 -0.255 13.648) 13.651 3.423 ( 0.000 -3.264 -5.600) 6.481 3.640 ( 0.000 -0.663 12.303) 12.320 3.772 ( 0.000 -4.662 2.773) 5.424 3.931 ( 0.000 -3.869 0.906) 3.974 3.978 ( 0.000 -3.047 0.294) 3.061 4.070 ( 0.000 -0.067 2.619) 2.620 4.118 ( 0.000 -3.382 -5.904) 6.804 4.334 ( 0.000 10.037 -2.338) 10.306 4.384 ( 0.000 13.030 -4.504) 13.786 4.627 ( 0.000 0.194 -3.175) 3.181 4.662 ( 0.000 1.091 -5.497) 5.604 4.916 ( 0.000 -6.763 -1.358) 6.898 4.925 ( 0.000 -2.830 -2.496) 3.773 7.924 ( 0.000 -12.230 1.072) 12.277 8.043 ( 0.000 -13.313 -10.168) 16.751 9.100 ( 0.000 4.135 2.643) 4.907 9.146 ( 0.000 4.596 -1.610) 4.870 9.582 ( 0.000 10.476 3.350) 10.998 9.623 ( 0.000 0.738 -0.548) 0.919 10.044 ( 0.000 6.381 0.303) 6.388 10.143 ( 0.000 -1.702 -8.623) 8.789 10.755 ( 0.000 10.197 3.581) 10.808 10.772 ( 0.000 7.488 3.156) 8.126 11.250 ( 0.000 4.524 0.854) 4.604 11.285 ( 0.000 1.357 -1.445) 1.982 19.649 ( 0.000 5.081 2.601) 5.708 19.736 ( 0.000 6.329 -6.087) 8.781 21.164 ( 0.000 -17.134 -0.646) 17.146 21.170 ( 0.000 -16.129 -1.084) 16.165 21.620 ( 0.000 11.111 4.450) 11.969 21.718 ( 0.000 11.086 -5.009) 12.165 22.325 ( 0.000 7.749 2.533) 8.152 22.387 ( 0.000 5.936 -3.607) 6.946 23.171 ( 0.000 1.565 6.417) 6.605 23.264 ( 0.000 -2.327 1.756) 2.915 23.284 ( 0.000 1.418 -3.034) 3.349 23.327 ( 0.000 -0.993 -3.351) 3.495 23.429 ( 0.000 -1.105 -0.578) 1.247 23.442 ( 0.000 -0.573 -1.594) 1.694 23.682 ( 0.000 6.409 1.660) 6.620 23.729 ( 0.000 5.309 -2.616) 5.919 24.378 ( 0.000 -5.222 2.753) 5.903 24.410 ( 0.000 -6.012 -0.025) 6.012 25.379 ( 0.000 -7.565 6.444) 9.937 25.496 ( 0.000 -8.975 -4.985) 10.267 50.554 ( 0.000 0.404 0.219) 0.460 50.562 ( 0.000 0.796 -0.648) 1.026 50.772 ( 0.000 -0.619 -0.017) 0.620 50.774 ( 0.000 -0.690 -0.296) 0.751 50.923 ( 0.000 2.145 4.005) 4.543 51.025 ( 0.000 1.531 -6.017) 6.209 51.570 ( 0.000 3.394 2.239) 4.066 51.618 ( 0.000 3.507 -2.432) 4.268 51.878 ( 0.000 -0.230 1.358) 1.378 51.894 ( 0.000 -1.400 -0.283) 1.428 51.997 ( 0.000 -3.162 3.304) 4.573 52.058 ( 0.000 -3.343 -2.579) 4.222 52.909 ( 0.000 1.786 2.316) 2.924 52.960 ( 0.000 1.356 -2.616) 2.947 53.380 ( 0.000 -2.254 4.384) 4.929 53.463 ( 0.000 -3.330 -3.635) 4.930 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.973 -4.281 5.248) 7.396 1.551 ( 0.787 -0.432 -0.881) 1.258 1.862 ( -0.047 9.515 4.296) 10.440 1.956 ( -2.209 7.466 -2.351) 8.133 2.134 ( 3.808 7.559 9.884) 13.013 2.254 ( 2.312 8.213 -1.638) 8.688 2.508 ( -1.212 -1.470 6.815) 7.077 2.578 ( 3.997 -1.107 0.780) 4.220 2.745 ( 8.440 -9.970 -2.310) 13.265 2.751 ( 7.785 -7.592 -1.148) 10.934 3.218 ( 3.485 -1.262 13.857) 14.344 3.429 ( 0.447 -4.348 -3.780) 5.779 3.588 ( -4.604 1.317 11.191) 12.172 3.727 ( -3.999 -2.925 -0.589) 4.990 3.930 ( -2.893 -4.738 1.475) 5.745 3.949 ( -3.833 -0.426 2.588) 4.644 4.038 ( -0.164 -3.210 4.102) 5.211 4.136 ( 0.699 -1.074 -5.781) 5.921 4.260 ( -3.004 7.438 -1.393) 8.142 4.427 ( -0.731 4.778 -11.289) 12.280 4.616 ( 1.906 1.291 2.206) 3.188 4.710 ( 2.983 1.854 -5.688) 6.685 4.885 ( -1.951 -4.207 -0.423) 4.657 4.929 ( -0.605 -4.047 -4.046) 5.755 8.071 ( 14.532 -11.861 1.409) 18.811 8.192 ( 14.639 -13.178 -9.925) 22.056 9.145 ( 4.155 4.581 2.464) 6.657 9.192 ( 4.417 5.227 -1.788) 7.073 9.535 ( -5.927 4.138 2.469) 7.639 9.562 ( -5.674 2.177 0.028) 6.078 10.007 ( -3.651 5.871 -0.029) 6.913 10.086 ( -5.330 -0.128 -7.399) 9.119 10.724 ( -2.650 11.170 3.675) 12.054 10.750 ( -2.131 9.676 1.981) 10.104 11.261 ( 1.018 4.509 1.264) 4.792 11.292 ( 0.600 1.666 -0.853) 1.965 19.642 ( -0.611 4.956 2.072) 5.407 19.720 ( -1.599 6.238 -5.734) 8.623 21.040 ( -10.942 -17.656 1.174) 20.804 21.067 ( -9.602 -16.867 -1.447) 19.462 21.624 ( 0.636 11.843 4.038) 12.528 21.717 ( -0.085 11.760 -5.021) 12.787 22.277 ( -4.220 8.841 2.132) 10.026 22.306 ( -6.332 8.262 -0.467) 10.419 23.113 ( -0.808 0.770 5.099) 5.220 23.228 ( -1.287 -0.674 -5.541) 5.728 23.399 ( 1.352 0.018 0.236) 1.372 23.404 ( -0.541 -0.919 -0.234) 1.091 23.479 ( 8.956 -1.105 0.450) 9.035 23.515 ( 10.319 -0.230 -2.470) 10.613 23.697 ( 1.164 5.984 1.384) 6.252 23.740 ( 1.227 5.448 -2.455) 6.101 24.431 ( 5.701 -5.683 4.584) 9.264 24.510 ( 9.865 -7.572 -3.080) 12.812 25.326 ( -5.246 -8.001 6.936) 11.817 25.455 ( -4.240 -9.576 -5.621) 11.886 50.553 ( -0.037 0.427 0.159) 0.457 50.561 ( -0.091 0.820 -0.666) 1.061 50.746 ( -2.188 -1.324 0.101) 2.559 50.752 ( -1.714 -1.156 -0.472) 2.121 50.962 ( 3.546 3.009 3.930) 6.089 51.059 ( 3.191 2.263 -5.540) 6.782 51.486 ( -7.182 4.263 3.883) 9.210 51.559 ( -5.614 3.429 -3.322) 7.369 51.883 ( 0.651 -0.856 0.891) 1.397 51.893 ( 0.339 -1.703 -0.133) 1.741 52.058 ( 4.624 -2.985 2.074) 5.881 52.098 ( 3.196 -3.210 -1.713) 4.843 52.921 ( 1.167 1.837 2.145) 3.056 52.968 ( 0.769 1.486 -2.485) 2.996 53.380 ( 0.017 -2.834 3.723) 4.679 53.452 ( -1.058 -3.619 -3.257) 4.982 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.624 6.505 8.616) 10.814 1.549 ( -0.631 -2.919 3.761) 4.803 1.853 ( -0.926 -0.241 -1.816) 2.053 1.893 ( -3.038 8.624 -4.024) 9.990 2.228 ( 4.744 4.623 7.562) 10.053 2.343 ( 2.893 6.947 -2.930) 8.076 2.512 ( 3.927 0.399 9.349) 10.149 2.635 ( 1.772 -2.458 -2.117) 3.697 2.905 ( 7.993 -0.555 3.570) 8.771 2.947 ( 9.042 6.084 0.027) 10.898 3.318 ( 5.928 -5.259 10.186) 12.906 3.442 ( 1.081 -7.439 -1.090) 7.596 3.498 ( -3.171 2.904 9.725) 10.633 3.633 ( -6.059 0.854 -2.985) 6.808 3.805 ( -6.201 -7.042 4.645) 10.470 3.856 ( -6.471 -4.566 1.056) 7.990 4.056 ( 1.048 0.321 2.467) 2.700 4.127 ( -1.450 -0.264 0.984) 1.772 4.246 ( 0.794 0.154 -5.926) 5.981 4.353 ( -5.027 -0.851 -8.498) 9.910 4.700 ( 5.271 -0.056 -0.624) 5.308 4.760 ( 1.965 0.632 -4.783) 5.210 4.855 ( -1.066 -2.159 -0.566) 2.474 4.900 ( -2.223 -2.643 -4.579) 5.735 8.444 ( 22.539 -10.763 2.123) 25.067 8.565 ( 22.341 -12.341 -9.159) 27.117 9.196 ( -3.905 1.458 2.503) 4.862 9.271 ( -1.925 1.986 -4.216) 5.042 9.363 ( -5.164 0.262 3.546) 6.269 9.425 ( -6.752 3.860 -2.231) 8.091 9.919 ( -4.483 3.930 0.570) 5.989 9.967 ( -6.126 2.951 -3.966) 7.872 10.677 ( -1.652 14.747 2.628) 15.070 10.702 ( -2.432 13.640 0.765) 13.877 11.283 ( 1.094 4.108 1.810) 4.621 11.302 ( 0.278 2.321 0.443) 2.379 19.633 ( -0.156 4.857 0.492) 4.884 19.681 ( -2.264 5.870 -4.354) 7.651 20.831 ( -8.498 -17.953 2.758) 20.053 20.866 ( -9.310 -17.472 -0.812) 19.814 21.649 ( 1.875 12.868 2.151) 13.180 21.711 ( -0.638 13.002 -3.944) 13.602 22.189 ( -3.810 9.575 2.772) 10.671 22.203 ( -3.962 9.777 1.111) 10.607 23.135 ( 2.494 -0.304 3.389) 4.219 23.221 ( -0.298 -0.982 -4.028) 4.157 23.366 ( -1.435 -2.095 0.161) 2.545 23.399 ( -1.245 -1.163 -2.525) 3.046 23.626 ( 5.549 2.727 2.261) 6.583 23.695 ( 6.370 3.091 -3.985) 8.125 23.712 ( 0.230 5.537 2.152) 5.945 23.768 ( 1.147 5.178 -2.787) 5.991 24.603 ( 11.563 -7.013 7.446) 15.438 24.746 ( 12.282 -9.307 -6.563) 16.750 25.191 ( -7.707 -9.671 7.006) 14.213 25.332 ( -8.250 -11.109 -6.752) 15.396 50.553 ( 0.048 0.538 -0.032) 0.541 50.559 ( -0.157 0.851 -0.613) 1.060 50.709 ( -1.391 -2.181 0.106) 2.589 50.718 ( -1.598 -1.983 -0.732) 2.650 51.046 ( 4.948 4.611 4.247) 7.986 51.135 ( 4.018 4.183 -4.247) 7.188 51.343 ( -6.523 4.032 4.311) 8.797 51.430 ( -7.012 3.242 -4.097) 8.745 51.900 ( 0.879 -1.185 0.554) 1.575 51.905 ( 0.627 -1.597 0.039) 1.716 52.136 ( 2.938 -3.109 0.903) 4.372 52.152 ( 1.984 -3.210 -0.649) 3.829 52.950 ( 1.606 1.993 1.440) 2.937 52.981 ( 0.340 1.862 -1.641) 2.506 53.383 ( 0.436 -4.025 1.914) 4.478 53.426 ( -1.512 -4.270 -2.162) 5.019 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -1.609 2.242 7.388) 7.886 1.524 ( 1.609 2.242 7.388) 7.886 1.851 ( -1.151 3.487 -4.116) 5.516 1.851 ( 1.151 3.487 -4.116) 5.516 2.314 ( -3.874 3.939 3.729) 6.665 2.314 ( 3.874 3.939 3.729) 6.665 2.621 ( -4.012 -0.513 1.908) 4.473 2.621 ( 4.012 -0.513 1.908) 4.473 3.016 ( -2.416 12.375 4.188) 13.287 3.016 ( 2.416 12.375 4.188) 13.287 3.422 ( -4.719 -10.714 5.000) 12.730 3.422 ( 4.719 -10.714 5.000) 12.730 3.518 ( -4.292 3.291 1.108) 5.520 3.518 ( 4.292 3.291 1.108) 5.520 3.755 ( -2.097 -10.007 2.757) 10.590 3.755 ( 2.097 -10.007 2.757) 10.590 4.085 ( -2.288 1.766 1.135) 3.106 4.085 ( 2.288 1.766 1.135) 3.106 4.278 ( -2.599 -1.885 -5.800) 6.629 4.278 ( 2.599 -1.885 -5.800) 6.629 4.774 ( -1.312 -2.118 -3.729) 4.485 4.774 ( 1.312 -2.118 -3.729) 4.485 4.854 ( -1.631 -0.503 -2.415) 2.958 4.854 ( 1.631 -0.503 -2.415) 2.958 8.883 ( -19.539 -8.592 1.333) 21.386 8.883 ( 19.539 -8.592 1.333) 21.386 9.005 ( -18.204 -9.055 -5.659) 21.105 9.005 ( 18.204 -9.055 -5.659) 21.105 9.392 ( -0.920 8.800 -0.336) 8.854 9.392 ( 0.920 8.800 -0.336) 8.854 9.882 ( -1.582 2.957 -0.202) 3.359 9.882 ( 1.582 2.957 -0.202) 3.359 10.669 ( -0.777 16.326 1.101) 16.381 10.669 ( 0.777 16.326 1.102) 16.381 11.300 ( -0.503 3.209 1.559) 3.602 11.300 ( 0.503 3.209 1.559) 3.602 19.643 ( -1.336 5.227 -1.927) 5.729 19.643 ( 1.336 5.227 -1.927) 5.729 20.757 ( -1.182 -17.829 1.320) 17.917 20.757 ( 1.182 -17.829 1.320) 17.917 21.687 ( -1.799 13.517 -1.034) 13.675 21.687 ( 1.799 13.517 -1.034) 13.675 22.157 ( -0.527 9.667 2.147) 9.917 22.157 ( 0.527 9.667 2.147) 9.917 23.191 ( -2.724 -1.043 0.827) 3.032 23.191 ( 2.724 -1.043 0.827) 3.032 23.368 ( -1.438 -1.997 -2.651) 3.618 23.368 ( 1.438 -1.997 -2.651) 3.618 23.697 ( -2.024 4.723 2.383) 5.665 23.697 ( 2.024 4.723 2.383) 5.665 23.767 ( -1.544 5.231 -3.451) 6.454 23.767 ( 1.544 5.231 -3.451) 6.454 24.820 ( -7.668 -7.250 4.413) 11.438 24.820 ( 7.668 -7.250 4.413) 11.438 25.160 ( -7.280 -12.685 -4.107) 15.192 25.160 ( 7.280 -12.685 -4.107) 15.192 50.555 ( -0.164 0.743 -0.345) 0.835 50.555 ( 0.164 0.743 -0.345) 0.835 50.698 ( -0.294 -2.430 -0.373) 2.476 50.698 ( 0.294 -2.430 -0.373) 2.476 51.144 ( -4.202 6.362 3.114) 8.236 51.144 ( 4.202 6.362 3.114) 8.236 51.310 ( -4.282 2.240 -2.823) 5.596 51.310 ( 4.282 2.240 -2.823) 5.596 51.911 ( -0.145 -1.352 0.311) 1.395 51.911 ( 0.145 -1.352 0.311) 1.395 52.168 ( -0.394 -3.180 0.142) 3.207 52.168 ( 0.394 -3.180 0.142) 3.207 52.976 ( -0.911 2.104 -0.002) 2.293 52.976 ( 0.911 2.104 -0.002) 2.293 53.399 ( -1.167 -4.633 -0.349) 4.791 53.399 ( 1.167 -4.633 -0.349) 4.791 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 -8.416 7.702) 11.408 1.432 ( 0.000 -5.502 -13.830) 14.885 1.820 ( 0.000 -14.970 9.721) 17.850 1.986 ( 0.000 -9.491 -4.939) 10.699 2.375 ( 0.000 13.351 7.943) 15.535 2.407 ( 0.000 -1.013 9.613) 9.666 2.489 ( 0.000 -4.956 5.599) 7.478 2.564 ( 0.000 8.347 -1.290) 8.446 2.602 ( 0.000 12.770 -1.071) 12.815 2.731 ( 0.000 18.129 -8.494) 20.020 3.232 ( 0.000 4.709 9.217) 10.350 3.363 ( 0.000 -1.483 -1.629) 2.203 3.580 ( 0.000 -5.315 10.120) 11.431 3.580 ( 0.000 -12.011 7.347) 14.080 3.865 ( 0.000 -6.940 -3.878) 7.950 3.891 ( 0.000 -2.239 -4.911) 5.397 4.020 ( 0.000 -4.448 6.862) 8.178 4.059 ( 0.000 -3.405 -0.493) 3.441 4.476 ( 0.000 3.677 0.800) 3.763 4.546 ( 0.000 2.597 -2.661) 3.718 4.665 ( 0.000 3.195 -2.966) 4.359 4.700 ( 0.000 1.976 -6.674) 6.961 4.827 ( 0.000 -0.513 1.296) 1.394 4.888 ( 0.000 -0.651 -4.570) 4.617 7.724 ( 0.000 -7.217 -1.449) 7.361 7.809 ( 0.000 -9.476 -9.419) 13.361 9.170 ( 0.000 2.893 2.782) 4.013 9.219 ( 0.000 2.410 -1.183) 2.685 9.595 ( 0.000 -1.713 0.909) 1.940 9.676 ( 0.000 -0.536 -5.569) 5.595 10.219 ( 0.000 7.849 -0.248) 7.852 10.225 ( 0.000 9.248 -0.719) 9.276 10.908 ( 0.000 5.783 3.995) 7.028 10.937 ( 0.000 7.502 0.740) 7.538 11.289 ( 0.000 -0.873 1.765) 1.969 11.307 ( 0.000 0.946 -0.455) 1.050 19.750 ( 0.000 4.718 2.528) 5.352 19.837 ( 0.000 3.383 -5.760) 6.680 20.858 ( 0.000 -12.412 -1.935) 12.562 20.876 ( 0.000 -12.231 -3.431) 12.703 21.857 ( 0.000 11.258 4.279) 12.044 21.940 ( 0.000 9.750 -3.617) 10.400 22.461 ( 0.000 5.834 0.415) 5.849 22.491 ( 0.000 4.489 -2.694) 5.235 23.183 ( 0.000 -0.817 2.667) 2.789 23.206 ( 0.000 -3.170 0.233) 3.178 23.323 ( 0.000 0.880 -1.142) 1.441 23.326 ( 0.000 2.361 -1.012) 2.568 23.394 ( 0.000 -1.991 0.666) 2.100 23.415 ( 0.000 -1.692 -1.385) 2.187 23.827 ( 0.000 7.457 1.222) 7.557 23.858 ( 0.000 6.893 -1.647) 7.087 24.265 ( 0.000 -5.689 2.585) 6.249 24.287 ( 0.000 -5.948 0.719) 5.992 25.222 ( 0.000 -7.267 4.825) 8.722 25.303 ( 0.000 -9.414 -3.117) 9.916 50.565 ( 0.000 0.659 0.300) 0.724 50.577 ( 0.000 0.592 -0.863) 1.046 50.764 ( 0.000 -0.206 -0.181) 0.274 50.765 ( 0.000 -0.279 -0.268) 0.387 50.973 ( 0.000 2.741 2.569) 3.756 51.053 ( 0.000 0.964 -5.132) 5.221 51.644 ( 0.000 3.782 2.347) 4.451 51.689 ( 0.000 3.384 -1.960) 3.911 51.858 ( 0.000 -2.063 0.725) 2.187 51.866 ( 0.000 -0.766 -0.148) 0.780 51.931 ( 0.000 -3.239 3.119) 4.496 51.984 ( 0.000 -3.854 -2.112) 4.395 52.951 ( 0.000 2.212 1.820) 2.865 52.989 ( 0.000 1.428 -1.946) 2.414 53.334 ( 0.000 -2.074 3.133) 3.758 53.392 ( 0.000 -3.512 -2.446) 4.280 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 10.901 -4.201 7.372) 13.814 1.526 ( 7.791 -1.701 -11.483) 13.980 1.933 ( 10.426 -11.088 9.783) 18.093 2.076 ( 6.696 -2.168 -2.184) 7.370 2.219 ( -7.387 10.268 8.316) 15.138 2.411 ( -4.931 3.821 -6.141) 8.753 2.425 ( -2.607 -0.838 7.165) 7.671 2.546 ( -0.626 -0.953 -1.279) 1.714 2.689 ( 7.830 8.791 8.257) 14.379 2.862 ( 9.089 9.586 -6.024) 14.519 3.276 ( 4.467 6.661 7.434) 10.936 3.352 ( -0.957 -1.406 1.783) 2.464 3.540 ( -2.532 -7.880 5.663) 10.029 3.584 ( -1.734 -8.543 5.441) 10.276 3.831 ( -2.648 -4.778 0.977) 5.549 3.900 ( -3.196 -4.305 1.579) 5.589 3.972 ( -1.709 -2.294 6.115) 6.751 4.080 ( 2.438 -4.242 -5.843) 7.621 4.414 ( -5.164 6.114 -1.985) 8.245 4.504 ( -5.530 2.470 -8.168) 10.168 4.648 ( 1.116 1.665 1.960) 2.803 4.739 ( 1.606 0.515 -5.961) 6.196 4.811 ( -0.973 -1.490 2.287) 2.898 4.890 ( -0.194 -0.689 -4.908) 4.960 7.879 ( 15.350 -6.826 -1.218) 16.843 7.962 ( 15.193 -9.153 -9.003) 19.891 9.224 ( 4.641 3.319 2.944) 6.420 9.281 ( 6.052 3.354 -1.498) 7.080 9.497 ( -9.847 -2.454 1.508) 10.260 9.598 ( -7.673 -1.663 -6.686) 10.312 10.148 ( -6.239 7.422 1.380) 9.794 10.183 ( -5.133 6.849 -1.923) 8.772 10.907 ( 0.490 7.592 4.202) 8.691 10.949 ( 0.970 8.758 0.266) 8.815 11.300 ( 1.017 -0.463 2.150) 2.423 11.323 ( 1.264 1.045 -0.169) 1.649 19.745 ( -0.371 5.044 2.056) 5.460 19.827 ( -0.948 4.057 -5.835) 7.170 20.726 ( -11.663 -12.785 -0.345) 17.309 20.761 ( -10.522 -12.843 -3.586) 16.986 21.873 ( 1.636 11.821 4.049) 12.602 21.954 ( 1.327 10.588 -3.767) 11.316 22.425 ( -3.715 5.823 0.725) 6.945 22.442 ( -4.129 5.376 -1.089) 6.865 23.126 ( -1.224 0.386 3.145) 3.397 23.203 ( -0.781 -1.917 -4.092) 4.585 23.360 ( -2.351 -2.348 0.414) 3.348 23.377 ( -0.449 -2.328 -1.425) 2.766 23.486 ( 12.494 1.562 1.658) 12.700 23.521 ( 12.192 0.593 -1.639) 12.316 23.838 ( 0.838 7.482 1.447) 7.667 23.871 ( 1.243 7.036 -1.702) 7.345 24.307 ( 4.573 -6.164 3.667) 8.506 24.356 ( 7.073 -7.309 -0.958) 10.216 25.161 ( -6.179 -7.663 5.147) 11.108 25.249 ( -5.478 -10.014 -3.539) 11.950 50.565 ( 0.051 0.705 0.217) 0.740 50.577 ( 0.047 0.674 -0.960) 1.174 50.727 ( -2.987 -0.552 -0.056) 3.038 50.735 ( -2.477 -0.593 -0.767) 2.660 51.026 ( 4.680 3.134 2.680) 6.237 51.098 ( 4.300 1.449 -4.466) 6.366 51.572 ( -6.463 4.088 3.107) 8.254 51.627 ( -5.768 3.033 -2.204) 6.879 51.856 ( 0.673 -1.579 0.772) 1.882 51.867 ( 0.504 -0.687 -0.352) 0.922 51.991 ( 4.201 -3.560 1.937) 5.837 52.024 ( 3.046 -3.926 -1.319) 5.141 52.965 ( 1.362 2.345 1.726) 3.214 53.002 ( 1.192 1.678 -1.945) 2.832 53.322 ( -1.129 -2.632 2.864) 4.050 53.375 ( -1.644 -3.800 -2.268) 4.721 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 9.549 4.438 7.125) 12.714 1.672 ( 6.111 7.395 -5.350) 10.984 1.990 ( -6.195 12.319 9.844) 16.942 2.089 ( -1.277 7.436 3.265) 8.221 2.297 ( 5.569 3.434 -0.523) 6.564 2.365 ( 4.814 -4.820 -6.654) 9.523 2.441 ( 3.314 -5.291 6.676) 9.140 2.539 ( 0.029 -4.374 -2.675) 5.127 2.845 ( 9.433 -4.037 12.607) 16.255 3.041 ( 8.385 -1.092 -5.400) 10.033 3.343 ( 0.737 2.257 8.433) 8.761 3.373 ( 3.166 3.415 4.097) 6.202 3.471 ( -4.077 -7.714 3.010) 9.230 3.511 ( -5.417 -9.909 0.526) 11.305 3.703 ( -7.736 1.114 8.265) 11.375 3.799 ( -6.933 -1.035 2.115) 7.322 4.011 ( 5.319 -1.470 4.076) 6.860 4.154 ( 4.527 -1.974 -8.350) 9.701 4.293 ( -6.996 5.911 -2.779) 9.571 4.378 ( -6.601 2.350 -8.984) 11.393 4.687 ( 2.459 -0.737 0.670) 2.653 4.750 ( -0.297 -1.203 -5.113) 5.261 4.809 ( 0.755 -2.038 1.862) 2.862 4.873 ( -1.562 -1.273 -4.186) 4.646 8.274 ( 24.015 -5.878 -0.601) 24.731 8.354 ( 23.815 -8.262 -8.068) 26.467 9.180 ( -16.217 -1.686 0.866) 16.328 9.230 ( -15.379 -3.170 -3.165) 16.018 9.444 ( 8.738 4.854 1.399) 10.093 9.505 ( 3.528 3.396 -4.228) 6.470 10.000 ( -8.216 3.797 1.898) 9.248 10.040 ( -8.784 3.086 -1.953) 9.513 10.934 ( 2.058 10.908 3.825) 11.740 10.969 ( 0.820 11.674 0.736) 11.725 11.321 ( 1.020 -0.170 2.300) 2.521 11.341 ( 0.362 0.988 0.518) 1.173 19.744 ( 0.490 6.053 0.402) 6.087 19.802 ( -1.599 5.938 -5.308) 8.123 20.501 ( -9.331 -14.257 1.285) 17.087 20.542 ( -10.234 -14.176 -2.783) 17.704 21.919 ( 2.954 12.904 2.663) 13.503 21.980 ( 0.933 12.535 -3.310) 12.999 22.338 ( -4.100 5.040 2.292) 6.889 22.359 ( -4.144 5.567 -0.066) 6.940 23.134 ( 1.608 0.199 2.271) 2.790 23.200 ( -0.152 -1.084 -3.450) 3.620 23.311 ( -1.869 -3.095 0.148) 3.618 23.349 ( -2.047 -3.355 -3.208) 5.073 23.703 ( 8.836 4.494 2.705) 10.275 23.760 ( 9.961 3.157 -2.797) 10.817 23.848 ( -0.043 7.472 2.382) 7.843 23.895 ( 0.832 6.917 -2.148) 7.290 24.451 ( 10.377 -7.544 5.642) 14.015 24.549 ( 11.947 -9.742 -3.951) 15.914 24.993 ( -10.581 -9.127 5.721) 15.099 25.095 ( -10.219 -11.588 -4.350) 16.051 50.568 ( 0.300 0.898 -0.070) 0.950 50.579 ( 0.047 0.998 -1.094) 1.482 50.674 ( -2.083 -1.227 -0.027) 2.417 50.686 ( -2.267 -1.209 -1.123) 2.804 51.135 ( 6.371 4.006 3.154) 8.160 51.203 ( 6.188 2.425 -3.560) 7.540 51.429 ( -7.704 4.199 3.579) 9.476 51.493 ( -7.504 2.668 -2.696) 8.408 51.878 ( 1.202 -0.690 0.490) 1.470 51.884 ( 0.897 -0.257 -0.114) 0.940 52.059 ( 2.586 -4.303 0.911) 5.102 52.073 ( 1.769 -4.384 -0.474) 4.751 52.999 ( 1.977 2.788 1.259) 3.642 53.027 ( 1.050 2.543 -1.497) 3.132 53.298 ( -0.941 -4.105 1.857) 4.603 53.334 ( -2.293 -4.562 -1.617) 5.356 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -5.210 12.646 5.970) 14.924 1.683 ( 5.210 12.646 5.970) 14.924 1.984 ( -5.632 8.890 -0.571) 10.539 1.984 ( 5.632 8.890 -0.571) 10.539 2.379 ( -2.727 2.794 1.668) 4.246 2.379 ( 2.727 2.794 1.668) 4.246 2.531 ( -2.696 -7.003 0.106) 7.505 2.531 ( 2.696 -7.003 0.106) 7.505 3.056 ( -9.306 -10.105 6.146) 15.049 3.056 ( 9.306 -10.105 6.146) 15.049 3.376 ( -3.259 -6.887 4.665) 8.934 3.376 ( 3.259 -6.887 4.665) 8.934 3.423 ( -2.259 -0.564 2.724) 3.583 3.423 ( 2.259 -0.564 2.724) 3.583 3.670 ( -4.675 4.107 2.600) 6.744 3.670 ( 4.675 4.107 2.600) 6.744 4.141 ( -7.275 3.419 1.230) 8.132 4.141 ( 7.275 3.419 1.230) 8.132 4.260 ( -5.314 -0.001 -8.593) 10.103 4.260 ( 5.314 -0.001 -8.593) 10.103 4.731 ( -1.752 -1.802 -2.666) 3.664 4.731 ( 1.752 -1.802 -2.666) 3.664 4.836 ( -1.914 -1.769 -1.433) 2.974 4.836 ( 1.914 -1.769 -1.433) 2.974 8.749 ( -19.438 -4.443 -1.171) 19.973 8.749 ( 19.438 -4.443 -1.171) 19.974 8.842 ( -18.822 -6.733 -5.246) 20.667 8.842 ( 18.822 -6.733 -5.246) 20.667 9.576 ( -1.762 8.899 -0.232) 9.075 9.576 ( 1.762 8.899 -0.232) 9.075 9.907 ( -1.814 -0.685 -0.154) 1.945 9.907 ( 1.814 -0.685 -0.154) 1.945 10.968 ( -1.045 12.872 2.441) 13.143 10.968 ( 1.045 12.872 2.441) 13.143 11.337 ( -0.615 0.267 1.510) 1.652 11.337 ( 0.615 0.267 1.510) 1.652 19.767 ( -1.762 7.035 -2.671) 7.728 19.767 ( 1.762 7.035 -2.671) 7.728 20.420 ( -1.440 -15.258 -0.293) 15.329 20.420 ( 1.440 -15.258 -0.293) 15.329 21.972 ( -1.959 13.778 -0.492) 13.925 21.972 ( 1.959 13.778 -0.492) 13.925 22.303 ( -0.926 4.574 1.523) 4.910 22.303 ( 0.926 4.574 1.523) 4.910 23.175 ( -2.221 -0.365 0.536) 2.314 23.175 ( 2.221 -0.365 0.536) 2.314 23.310 ( -1.568 -3.576 -3.020) 4.937 23.310 ( 1.568 -3.576 -3.020) 4.937 23.816 ( -3.138 6.772 2.543) 7.885 23.816 ( 3.138 6.772 2.543) 7.885 23.883 ( -2.661 5.862 -2.332) 6.847 23.883 ( 2.661 5.862 -2.332) 6.847 24.668 ( -7.929 -7.129 3.383) 11.187 24.668 ( 7.929 -7.129 3.383) 11.187 24.887 ( -7.778 -13.587 -2.167) 15.805 24.887 ( 7.778 -13.587 -2.167) 15.805 50.576 ( -0.370 1.222 -0.668) 1.441 50.576 ( 0.370 1.222 -0.668) 1.441 50.658 ( -0.436 -1.642 -0.624) 1.810 50.658 ( 0.436 -1.642 -0.624) 1.810 51.263 ( -5.785 5.189 2.933) 8.306 51.263 ( 5.785 5.189 2.933) 8.306 51.354 ( -5.733 1.811 -2.474) 6.501 51.354 ( 5.733 1.811 -2.474) 6.501 51.892 ( -0.159 -0.170 0.224) 0.323 51.892 ( 0.159 -0.170 0.224) 0.323 52.088 ( -0.348 -4.614 0.193) 4.631 52.088 ( 0.348 -4.614 0.193) 4.631 53.030 ( -0.887 3.216 -0.009) 3.336 53.030 ( 0.887 3.216 -0.009) 3.336 53.298 ( -1.083 -5.116 -0.083) 5.230 53.298 ( 1.083 -5.116 -0.083) 5.230 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 4.279 6.828) 8.058 1.317 ( 0.000 -8.320 -4.915) 9.663 1.580 ( 0.000 -2.997 -1.197) 3.228 1.711 ( 0.000 -12.864 -10.212) 16.425 2.400 ( 0.000 -0.237 12.059) 12.062 2.409 ( 0.000 -1.462 9.947) 10.054 2.631 ( 0.000 7.878 -1.185) 7.967 2.671 ( 0.000 3.204 -5.973) 6.778 2.923 ( 0.000 13.217 6.083) 14.549 3.014 ( 0.000 6.639 -1.498) 6.806 3.316 ( 0.000 -0.720 3.760) 3.828 3.349 ( 0.000 -8.659 5.808) 10.427 3.427 ( 0.000 8.486 0.213) 8.489 3.511 ( 0.000 3.078 2.764) 4.137 3.696 ( 0.000 -9.180 2.927) 9.636 3.756 ( 0.000 -10.477 3.024) 10.905 3.968 ( 0.000 -0.166 1.230) 1.242 3.992 ( 0.000 -2.476 -0.742) 2.585 4.510 ( 0.000 0.699 -0.065) 0.702 4.533 ( 0.000 -1.775 -1.147) 2.113 4.726 ( 0.000 2.189 -2.247) 3.137 4.737 ( 0.000 1.123 -3.832) 3.993 4.860 ( 0.000 2.065 -0.590) 2.148 4.885 ( 0.000 -0.314 -3.222) 3.237 7.637 ( 0.000 -1.339 -4.442) 4.639 7.668 ( 0.000 -4.329 -7.337) 8.518 9.219 ( 0.000 1.885 2.208) 2.903 9.241 ( 0.000 -0.140 0.585) 0.602 9.585 ( 0.000 0.952 -3.041) 3.186 9.629 ( 0.000 -2.963 -6.549) 7.189 10.362 ( 0.000 4.412 1.642) 4.708 10.366 ( 0.000 3.891 0.991) 4.015 11.006 ( 0.000 3.835 3.062) 4.907 11.038 ( 0.000 1.668 -0.113) 1.672 11.270 ( 0.000 -0.121 2.828) 2.830 11.295 ( 0.000 -1.723 0.174) 1.731 19.833 ( 0.000 3.241 0.886) 3.360 19.870 ( 0.000 -0.154 -2.509) 2.514 20.685 ( 0.000 -4.166 -3.830) 5.659 20.696 ( 0.000 -5.101 -4.668) 6.915 22.037 ( 0.000 5.771 2.485) 6.283 22.071 ( 0.000 2.588 -0.707) 2.683 22.555 ( 0.000 3.035 -1.053) 3.213 22.564 ( 0.000 2.191 -2.035) 2.991 23.149 ( 0.000 -1.855 -0.691) 1.979 23.149 ( 0.000 -1.668 -0.647) 1.789 23.346 ( 0.000 0.805 1.045) 1.319 23.359 ( 0.000 -0.683 0.360) 0.772 23.371 ( 0.000 1.194 0.332) 1.240 23.388 ( 0.000 -0.742 -0.914) 1.177 23.961 ( 0.000 5.004 1.153) 5.135 23.978 ( 0.000 3.869 -0.474) 3.898 24.167 ( 0.000 -3.164 2.190) 3.848 24.181 ( 0.000 -4.037 0.931) 4.143 25.116 ( 0.000 -2.335 2.337) 3.303 25.146 ( 0.000 -5.206 -0.610) 5.242 50.578 ( 0.000 0.524 0.072) 0.529 50.583 ( 0.000 0.010 -0.454) 0.454 50.761 ( 0.000 -0.057 -0.243) 0.249 50.761 ( 0.000 -0.049 -0.238) 0.243 51.026 ( 0.000 2.273 0.013) 2.273 51.057 ( 0.000 -0.649 -2.956) 3.026 51.717 ( 0.000 3.158 1.923) 3.697 51.745 ( 0.000 1.335 -0.554) 1.445 51.823 ( 0.000 -0.639 1.452) 1.587 51.848 ( 0.000 -1.641 -0.433) 1.697 51.881 ( 0.000 -0.667 1.107) 1.293 51.911 ( 0.000 -2.983 -1.493) 3.336 52.992 ( 0.000 1.638 0.912) 1.875 53.008 ( 0.000 0.173 -0.631) 0.654 53.307 ( 0.000 -0.219 1.204) 1.223 53.330 ( 0.000 -2.319 -0.935) 2.500 ======================= Grid point 218 (78/80) ======================= q-point: ( 0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 17.393 6.576 6.534) 19.709 1.512 ( 16.919 -3.672 -6.310) 18.427 1.700 ( 11.988 -4.611 2.033) 13.004 1.837 ( 12.148 -12.900 -8.684) 19.733 2.390 ( -0.688 0.796 12.451) 12.495 2.416 ( 0.193 -1.420 8.948) 9.062 2.544 ( -7.731 11.789 1.861) 14.220 2.633 ( -3.878 3.608 -6.217) 8.167 2.879 ( -4.740 7.864 4.294) 10.136 2.959 ( -3.112 -0.042 -2.829) 4.206 3.298 ( -2.946 -4.665 4.327) 7.012 3.343 ( -1.945 -8.018 0.906) 8.300 3.478 ( 2.825 10.040 6.550) 12.316 3.552 ( 3.408 8.915 4.391) 10.505 3.696 ( 1.523 -9.531 4.055) 10.470 3.759 ( -0.128 -9.194 4.594) 10.279 3.960 ( -0.045 0.686 -0.441) 0.817 3.996 ( 1.345 -3.140 -3.889) 5.176 4.486 ( -2.506 1.617 -2.205) 3.709 4.511 ( -2.803 -1.089 -3.654) 4.732 4.701 ( -1.247 3.293 0.327) 3.537 4.747 ( 0.223 -0.538 -2.764) 2.825 4.820 ( -3.318 2.022 -0.401) 3.906 4.868 ( -1.770 -1.896 -4.143) 4.888 7.798 ( 15.854 -1.238 -4.142) 16.433 7.827 ( 15.746 -4.116 -6.915) 17.683 9.283 ( 5.324 2.478 3.135) 6.657 9.315 ( 7.096 -0.228 1.646) 7.288 9.480 ( -10.425 1.228 -3.956) 11.218 9.536 ( -8.517 -3.587 -7.554) 11.936 10.272 ( -8.480 3.842 1.659) 9.457 10.285 ( -8.141 2.550 0.307) 8.536 11.036 ( 3.103 4.872 3.197) 6.602 11.071 ( 3.222 2.396 -0.198) 4.020 11.285 ( 1.196 -0.032 3.228) 3.443 11.312 ( 1.334 -1.783 0.472) 2.277 19.837 ( 0.587 3.658 0.691) 3.769 19.874 ( 0.615 0.319 -2.748) 2.834 20.548 ( -12.527 -4.192 -2.879) 13.519 20.567 ( -11.882 -5.812 -4.516) 13.977 22.064 ( 2.618 6.237 2.574) 7.238 22.100 ( 2.731 2.966 -0.769) 4.105 22.513 ( -4.472 2.692 -0.673) 5.263 22.521 ( -3.957 2.031 -1.489) 4.690 23.130 ( -0.135 0.341 0.178) 0.408 23.156 ( 0.380 -2.245 -2.301) 3.237 23.326 ( -2.940 -0.650 0.291) 3.025 23.335 ( -2.223 -1.441 -0.669) 2.732 23.520 ( 13.471 1.363 0.798) 13.563 23.531 ( 13.358 0.194 -0.316) 13.363 23.977 ( 1.250 5.399 1.350) 5.704 23.997 ( 1.536 4.131 -0.558) 4.442 24.202 ( 3.770 -3.311 2.591) 5.647 24.226 ( 4.718 -5.047 0.311) 6.916 25.050 ( -6.794 -2.444 2.410) 7.612 25.083 ( -6.517 -5.579 -0.814) 8.618 50.579 ( 0.155 0.563 -0.006) 0.584 50.585 ( 0.185 0.027 -0.557) 0.587 50.723 ( -3.241 0.022 -0.430) 3.269 50.726 ( -3.000 -0.313 -0.757) 3.110 51.082 ( 5.086 2.268 0.450) 5.587 51.110 ( 4.919 -0.387 -2.295) 5.441 51.643 ( -6.419 2.633 1.948) 7.206 51.667 ( -6.472 0.489 -0.305) 6.498 51.843 ( 1.995 0.595 0.873) 2.257 51.861 ( 1.522 -0.270 -0.886) 1.781 51.928 ( 3.107 -1.770 1.170) 3.762 51.949 ( 2.583 -3.078 -0.871) 4.112 53.009 ( 1.721 1.793 0.887) 2.639 53.026 ( 1.759 0.325 -0.706) 1.923 53.286 ( -2.110 -0.502 1.161) 2.460 53.308 ( -2.176 -2.495 -0.927) 3.437 ======================= Grid point 219 (79/80) ======================= q-point: ( 0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 17.654 11.760 5.891) 22.015 1.841 ( 15.306 8.010 -6.888) 18.597 1.997 ( 15.342 -8.491 5.717) 18.443 2.112 ( 13.253 -11.788 -4.967) 18.419 2.345 ( -5.883 9.220 10.605) 15.234 2.392 ( -4.658 7.185 4.169) 9.524 2.412 ( -0.679 -1.370 7.055) 7.219 2.538 ( -5.557 1.993 -4.086) 7.180 2.804 ( -0.924 1.141 5.185) 5.388 2.922 ( -0.213 -7.611 -4.438) 8.813 3.161 ( -10.993 -7.507 3.889) 13.868 3.234 ( -9.417 -11.930 -2.411) 15.389 3.524 ( 3.419 9.899 11.131) 15.283 3.607 ( 2.329 5.828 5.888) 8.606 3.728 ( -3.024 -1.321 7.919) 8.579 3.741 ( 0.180 -3.607 5.294) 6.408 4.020 ( 7.615 2.354 -3.082) 8.546 4.088 ( 7.820 -3.818 -8.101) 11.889 4.396 ( -7.276 3.018 -4.422) 9.034 4.415 ( -6.734 0.740 -5.981) 9.037 4.697 ( 0.780 2.059 1.034) 2.432 4.748 ( -0.207 -0.292 -2.673) 2.696 4.765 ( -1.511 -0.510 0.372) 1.637 4.825 ( -2.478 -3.402 -4.028) 5.826 8.206 ( 24.837 -0.958 -3.406) 25.088 8.233 ( 24.750 -3.671 -5.997) 25.729 9.160 ( -19.662 -0.078 -1.138) 19.695 9.178 ( -19.040 -1.821 -2.618) 19.305 9.520 ( 12.073 2.548 -0.495) 12.348 9.543 ( 10.811 0.340 -2.695) 11.147 10.061 ( -12.579 2.058 1.164) 12.799 10.077 ( -12.548 0.533 -0.449) 12.568 11.115 ( 4.547 6.572 3.357) 8.668 11.147 ( 3.952 4.861 0.336) 6.274 11.299 ( 0.021 -1.101 3.497) 3.667 11.325 ( -0.342 -2.294 0.925) 2.497 19.867 ( 2.763 5.379 -0.063) 6.048 19.902 ( 2.376 2.794 -3.379) 4.987 20.282 ( -12.848 -6.009 -1.204) 14.235 20.310 ( -12.771 -7.946 -3.822) 15.519 22.133 ( 4.374 7.251 2.211) 8.752 22.168 ( 4.004 4.522 -1.000) 6.122 22.402 ( -6.172 1.910 0.887) 6.521 22.422 ( -5.777 0.615 -0.960) 5.889 23.146 ( 1.622 1.099 0.054) 1.960 23.175 ( 1.482 -1.457 -2.682) 3.393 23.262 ( -3.205 -0.916 0.026) 3.333 23.283 ( -2.851 -2.616 -2.002) 4.357 23.787 ( 12.037 3.159 1.426) 12.526 23.809 ( 12.754 1.093 -0.750) 12.823 23.991 ( -0.273 5.650 1.794) 5.934 24.017 ( 0.017 3.735 -0.758) 3.812 24.329 ( 9.883 -3.240 3.191) 10.879 24.373 ( 10.648 -6.844 -1.106) 12.706 24.860 ( -12.454 -2.914 2.631) 13.058 24.900 ( -12.046 -6.643 -1.281) 13.816 50.586 ( 0.637 0.729 -0.240) 0.998 50.592 ( 0.641 0.204 -0.838) 1.075 50.660 ( -2.851 -0.148 -0.532) 2.904 50.667 ( -2.806 -0.698 -1.133) 3.106 51.202 ( 6.969 2.445 1.127) 7.471 51.228 ( 6.928 -0.041 -1.449) 7.078 51.500 ( -7.869 2.585 1.879) 8.493 51.525 ( -7.811 0.235 -0.524) 7.832 51.887 ( 2.226 1.645 0.521) 2.817 51.898 ( 1.811 1.413 -0.552) 2.362 51.974 ( 1.510 -3.434 0.761) 3.828 51.986 ( 1.033 -3.823 -0.409) 3.982 53.056 ( 2.941 2.475 0.774) 3.921 53.072 ( 2.818 1.278 -0.826) 3.203 53.232 ( -3.146 -1.736 1.027) 3.737 53.251 ( -3.414 -3.207 -0.835) 4.758 ======================= Grid point 220 (80/80) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -7.627 15.243 2.114) 17.175 1.984 ( 7.627 15.243 2.114) 17.175 2.149 ( -5.641 3.747 2.539) 7.232 2.149 ( 5.641 3.747 2.539) 7.232 2.374 ( -2.087 -4.598 3.062) 5.905 2.374 ( 2.087 -4.598 3.062) 5.905 2.409 ( -6.487 -3.073 2.456) 7.587 2.409 ( 6.487 -3.073 2.456) 7.587 2.889 ( -8.263 -1.645 4.182) 9.406 2.889 ( 8.263 -1.645 4.182) 9.406 3.044 ( -6.715 -14.644 -2.744) 16.342 3.044 ( 6.715 -14.644 -2.744) 16.342 3.605 ( -3.803 7.853 8.546) 12.213 3.605 ( 3.803 7.853 8.546) 12.213 3.704 ( -2.137 -1.661 6.232) 6.795 3.704 ( 2.137 -1.661 6.232) 6.795 4.214 ( -10.344 3.468 -4.003) 11.621 4.214 ( 10.344 3.468 -4.003) 11.621 4.261 ( -8.614 -0.796 -6.991) 11.122 4.261 ( 8.614 -0.796 -6.991) 11.122 4.723 ( -1.628 1.417 -1.789) 2.804 4.723 ( 1.628 1.417 -1.789) 2.804 4.780 ( -1.946 -3.467 -1.328) 4.192 4.780 ( 1.946 -3.468 -1.328) 4.192 8.703 ( -18.942 -0.161 -3.011) 19.180 8.703 ( 18.942 -0.161 -3.011) 19.180 8.738 ( -18.764 -3.498 -4.311) 19.568 8.738 ( 18.764 -3.498 -4.311) 19.568 9.739 ( -2.120 7.050 -0.249) 7.367 9.739 ( 2.120 7.050 -0.249) 7.367 9.855 ( -2.079 -4.278 -0.210) 4.761 9.855 ( 2.079 -4.278 -0.210) 4.761 11.183 ( -1.325 8.252 2.489) 8.720 11.183 ( 1.325 8.252 2.489) 8.720 11.303 ( -1.180 -3.736 1.908) 4.358 11.303 ( 1.180 -3.736 1.908) 4.358 19.930 ( -1.810 9.170 -2.463) 9.666 19.930 ( 1.810 9.170 -2.463) 9.666 20.144 ( -1.661 -12.016 -1.586) 12.234 20.144 ( 1.661 -12.016 -1.586) 12.234 22.213 ( -1.961 9.322 0.109) 9.527 22.213 ( 1.961 9.322 0.109) 9.527 22.331 ( -1.582 -2.130 0.758) 2.759 22.331 ( 1.582 -2.130 0.758) 2.759 23.184 ( -1.730 1.455 -0.547) 2.326 23.184 ( 1.730 1.455 -0.547) 2.326 23.235 ( -1.529 -3.432 -2.135) 4.321 23.235 ( 1.529 -3.432 -2.135) 4.321 23.947 ( -4.437 5.081 1.776) 6.976 23.947 ( 4.437 5.081 1.776) 6.976 23.977 ( -4.478 2.370 -0.683) 5.112 23.977 ( 4.478 2.370 -0.683) 5.112 24.568 ( -9.137 -1.502 1.817) 9.436 24.568 ( 9.137 -1.502 1.817) 9.436 24.647 ( -8.850 -9.013 -0.509) 12.641 24.647 ( 8.850 -9.013 -0.509) 12.641 50.602 ( -0.507 1.316 -0.784) 1.614 50.602 ( 0.507 1.316 -0.784) 1.614 50.628 ( -0.525 -1.315 -0.758) 1.606 50.628 ( 0.525 -1.315 -0.758) 1.606 51.345 ( -7.020 2.786 1.551) 7.710 51.345 ( 7.020 2.786 1.551) 7.710 51.374 ( -6.997 -0.063 -0.817) 7.044 51.374 ( 6.997 -0.063 -0.817) 7.044 51.915 ( -0.341 2.544 0.084) 2.569 51.915 ( 0.341 2.544 0.084) 2.569 51.991 ( -0.359 -4.629 0.102) 4.644 51.991 ( 0.359 -4.629 0.102) 4.644 53.105 ( -0.907 4.161 -0.002) 4.259 53.105 ( 0.907 4.161 -0.002) 4.259 53.197 ( -0.980 -4.836 -0.001) 4.934 53.197 ( 0.980 -4.836 -0.001) 4.934 =================== 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 82.440 128.345 94.679 0.000 0.000 0.000 3/27216 20.0 13.887 21.036 18.340 0.000 0.000 -0.000 3/27216 30.0 6.104 9.213 7.834 0.000 0.000 -0.000 3/27216 40.0 3.713 5.608 4.682 0.000 0.000 -0.000 3/27216 50.0 2.656 4.010 3.317 0.000 0.000 -0.000 3/27216 60.0 2.080 3.130 2.577 0.000 0.000 -0.000 3/27216 70.0 1.721 2.573 2.114 0.000 0.000 -0.000 3/27216 80.0 1.475 2.189 1.796 0.000 0.000 -0.000 3/27216 90.0 1.296 1.907 1.562 0.000 0.000 -0.000 3/27216 100.0 1.159 1.690 1.384 0.000 0.000 -0.000 3/27216 110.0 1.051 1.519 1.243 0.000 0.000 -0.000 3/27216 120.0 0.963 1.381 1.128 0.000 0.000 -0.000 3/27216 130.0 0.890 1.266 1.033 0.000 0.000 -0.000 3/27216 140.0 0.828 1.170 0.954 0.000 0.000 -0.000 3/27216 150.0 0.776 1.088 0.886 0.000 0.000 -0.000 3/27216 160.0 0.731 1.018 0.827 0.000 0.000 -0.000 3/27216 170.0 0.691 0.957 0.776 0.000 0.000 -0.000 3/27216 180.0 0.657 0.904 0.732 0.000 0.000 -0.000 3/27216 190.0 0.626 0.857 0.692 0.000 0.000 -0.000 3/27216 200.0 0.599 0.816 0.657 0.000 0.000 -0.000 3/27216 210.0 0.575 0.778 0.625 0.000 0.000 -0.000 3/27216 220.0 0.553 0.744 0.597 0.000 0.000 -0.000 3/27216 230.0 0.533 0.714 0.571 0.000 0.000 -0.000 3/27216 240.0 0.514 0.686 0.547 0.000 0.000 -0.000 3/27216 250.0 0.497 0.661 0.526 0.000 0.000 -0.000 3/27216 260.0 0.482 0.638 0.506 0.000 0.000 -0.000 3/27216 270.0 0.468 0.616 0.488 0.000 0.000 -0.000 3/27216 280.0 0.454 0.596 0.471 0.000 0.000 -0.000 3/27216 290.0 0.442 0.577 0.455 0.000 0.000 -0.000 3/27216 300.0 0.430 0.560 0.440 0.000 0.000 -0.000 3/27216 310.0 0.419 0.544 0.427 0.000 0.000 -0.000 3/27216 320.0 0.409 0.529 0.414 0.000 0.000 -0.000 3/27216 330.0 0.399 0.514 0.402 0.000 0.000 -0.000 3/27216 340.0 0.389 0.501 0.390 0.000 0.000 -0.000 3/27216 350.0 0.381 0.488 0.380 0.000 0.000 -0.000 3/27216 360.0 0.372 0.476 0.370 0.000 0.000 -0.000 3/27216 370.0 0.364 0.465 0.360 0.000 0.000 -0.000 3/27216 380.0 0.357 0.454 0.351 0.000 0.000 -0.000 3/27216 390.0 0.349 0.443 0.342 0.000 0.000 -0.000 3/27216 400.0 0.342 0.433 0.334 0.000 0.000 -0.000 3/27216 410.0 0.336 0.424 0.327 0.000 0.000 -0.000 3/27216 420.0 0.329 0.415 0.319 0.000 0.000 -0.000 3/27216 430.0 0.323 0.406 0.312 0.000 0.000 -0.000 3/27216 440.0 0.317 0.398 0.305 0.000 0.000 -0.000 3/27216 450.0 0.311 0.390 0.299 0.000 0.000 -0.000 3/27216 460.0 0.306 0.383 0.293 0.000 0.000 -0.000 3/27216 470.0 0.300 0.375 0.287 0.000 0.000 -0.000 3/27216 480.0 0.295 0.368 0.281 0.000 0.000 -0.000 3/27216 490.0 0.290 0.362 0.276 0.000 0.000 -0.000 3/27216 500.0 0.285 0.355 0.270 0.000 0.000 -0.000 3/27216 510.0 0.281 0.349 0.265 0.000 0.000 -0.000 3/27216 520.0 0.276 0.343 0.260 0.000 0.000 -0.000 3/27216 530.0 0.272 0.337 0.256 0.000 0.000 -0.000 3/27216 540.0 0.268 0.331 0.251 0.000 0.000 -0.000 3/27216 550.0 0.264 0.326 0.247 0.000 0.000 -0.000 3/27216 560.0 0.260 0.321 0.243 0.000 0.000 -0.000 3/27216 570.0 0.256 0.315 0.239 0.000 0.000 -0.000 3/27216 580.0 0.252 0.310 0.235 0.000 0.000 -0.000 3/27216 590.0 0.248 0.306 0.231 0.000 0.000 -0.000 3/27216 600.0 0.245 0.301 0.227 0.000 0.000 -0.000 3/27216 610.0 0.242 0.297 0.224 0.000 0.000 -0.000 3/27216 620.0 0.238 0.292 0.220 0.000 0.000 -0.000 3/27216 630.0 0.235 0.288 0.217 0.000 0.000 -0.000 3/27216 640.0 0.232 0.284 0.214 0.000 0.000 -0.000 3/27216 650.0 0.229 0.280 0.211 0.000 0.000 -0.000 3/27216 660.0 0.226 0.276 0.208 0.000 0.000 -0.000 3/27216 670.0 0.223 0.272 0.205 0.000 0.000 -0.000 3/27216 680.0 0.220 0.268 0.202 0.000 0.000 -0.000 3/27216 690.0 0.217 0.265 0.199 0.000 0.000 -0.000 3/27216 700.0 0.214 0.261 0.196 0.000 0.000 -0.000 3/27216 710.0 0.212 0.258 0.194 0.000 0.000 -0.000 3/27216 720.0 0.209 0.255 0.191 0.000 0.000 -0.000 3/27216 730.0 0.207 0.251 0.189 0.000 0.000 -0.000 3/27216 740.0 0.204 0.248 0.186 0.000 0.000 -0.000 3/27216 750.0 0.202 0.245 0.184 0.000 0.000 -0.000 3/27216 760.0 0.200 0.242 0.181 0.000 0.000 -0.000 3/27216 770.0 0.197 0.239 0.179 0.000 0.000 -0.000 3/27216 780.0 0.195 0.236 0.177 0.000 0.000 -0.000 3/27216 790.0 0.193 0.234 0.175 0.000 0.000 -0.000 3/27216 800.0 0.191 0.231 0.173 0.000 0.000 -0.000 3/27216 810.0 0.189 0.228 0.171 0.000 0.000 -0.000 3/27216 820.0 0.186 0.226 0.169 0.000 0.000 -0.000 3/27216 830.0 0.184 0.223 0.167 0.000 0.000 -0.000 3/27216 840.0 0.183 0.221 0.165 0.000 0.000 -0.000 3/27216 850.0 0.181 0.218 0.163 0.000 0.000 -0.000 3/27216 860.0 0.179 0.216 0.161 0.000 0.000 -0.000 3/27216 870.0 0.177 0.214 0.159 0.000 0.000 -0.000 3/27216 880.0 0.175 0.211 0.158 0.000 0.000 -0.000 3/27216 890.0 0.173 0.209 0.156 0.000 0.000 -0.000 3/27216 900.0 0.172 0.207 0.154 0.000 0.000 -0.000 3/27216 910.0 0.170 0.205 0.153 0.000 0.000 -0.000 3/27216 920.0 0.168 0.203 0.151 0.000 0.000 -0.000 3/27216 930.0 0.166 0.201 0.149 0.000 0.000 -0.000 3/27216 940.0 0.165 0.199 0.148 0.000 0.000 -0.000 3/27216 950.0 0.163 0.197 0.146 0.000 0.000 -0.000 3/27216 960.0 0.162 0.195 0.145 0.000 0.000 -0.000 3/27216 970.0 0.160 0.193 0.143 0.000 0.000 -0.000 3/27216 980.0 0.159 0.191 0.142 0.000 0.000 -0.000 3/27216 990.0 0.157 0.189 0.141 0.000 0.000 -0.000 3/27216 1000.0 0.156 0.187 0.139 0.000 0.000 -0.000 3/27216 Thermal conductivity related properties were written into "kappa-m697.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:03:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|