----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.331187540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.044735200000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 3 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 4 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 *5 Se 0.68185563894817 0.75000000000000 0.99398102770566 78.960 6 Se 0.18185563894817 0.75000000000000 0.50601897229434 78.960 7 Se 0.81814436105183 0.25000000000000 0.49398102770566 78.960 8 Se 0.31814436105183 0.25000000000000 0.00601897229434 78.960 *9 O 0.85825790799398 0.75000000000000 0.97198155326936 15.999 *10 O 0.62870771228357 0.94266381816142 0.85661078831987 15.999 11 O 0.62870771228357 0.55733618183858 0.85661078831987 15.999 *12 O 0.87171462415762 0.25000000000000 0.81121228955155 15.999 13 O 0.37171462415762 0.25000000000000 0.68878771044845 15.999 14 O 0.12870771228357 0.94266381816142 0.64338921168013 15.999 15 O 0.12870771228357 0.55733618183858 0.64338921168013 15.999 16 O 0.35825790799398 0.75000000000000 0.52801844673064 15.999 17 O 0.64174209200602 0.25000000000000 0.47198155326936 15.999 18 O 0.87129228771643 0.44266381816142 0.35661078831987 15.999 19 O 0.87129228771643 0.05733618183858 0.35661078831987 15.999 20 O 0.62828537584238 0.75000000000000 0.31121228955155 15.999 21 O 0.12828537584238 0.75000000000000 0.18878771044845 15.999 22 O 0.37129228771643 0.44266381816142 0.14338921168013 15.999 23 O 0.37129228771643 0.05733618183858 0.14338921168013 15.999 24 O 0.14174209200602 0.25000000000000 0.02801844673064 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.331187540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.044735200000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 2 3 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 3 4 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 4 *5 Se 0.68185563894817 0.75000000000000 0.99398102770566 78.960 > 5 6 Se 0.18185563894817 0.75000000000000 0.50601897229434 78.960 > 6 7 Se 0.81814436105183 0.25000000000000 0.49398102770566 78.960 > 7 8 Se 0.31814436105183 0.25000000000000 0.00601897229434 78.960 > 8 *9 O 0.85825790799398 0.75000000000000 0.97198155326936 15.999 > 9 *10 O 0.62870771228357 0.94266381816142 0.85661078831987 15.999 > 10 11 O 0.62870771228357 0.55733618183858 0.85661078831987 15.999 > 11 *12 O 0.87171462415762 0.25000000000000 0.81121228955155 15.999 > 12 13 O 0.37171462415762 0.25000000000000 0.68878771044845 15.999 > 13 14 O 0.12870771228357 0.94266381816142 0.64338921168013 15.999 > 14 15 O 0.12870771228357 0.55733618183858 0.64338921168013 15.999 > 15 16 O 0.35825790799398 0.75000000000000 0.52801844673064 15.999 > 16 17 O 0.64174209200602 0.25000000000000 0.47198155326936 15.999 > 17 18 O 0.87129228771643 0.44266381816142 0.35661078831987 15.999 > 18 19 O 0.87129228771643 0.05733618183858 0.35661078831987 15.999 > 19 20 O 0.62828537584238 0.75000000000000 0.31121228955155 15.999 > 20 21 O 0.12828537584238 0.75000000000000 0.18878771044845 15.999 > 21 22 O 0.37129228771643 0.44266381816142 0.14338921168013 15.999 > 22 23 O 0.37129228771643 0.05733618183858 0.14338921168013 15.999 > 23 24 O 0.14174209200602 0.25000000000000 0.02801844673064 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.662375080000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.089470400000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 2 6 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 2 7 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 2 8 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 2 9 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 3 10 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 3 11 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 3 12 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 3 13 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 4 14 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 4 15 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 4 16 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 4 *17 Se 0.68185563894817 0.37500000000000 0.49699051385283 78.960 > 5 18 Se 0.68185563894817 0.87500000000000 0.49699051385283 78.960 > 5 19 Se 0.68185563894817 0.37500000000000 0.99699051385283 78.960 > 5 20 Se 0.68185563894817 0.87500000000000 0.99699051385283 78.960 > 5 21 Se 0.18185563894817 0.37500000000000 0.25300948614717 78.960 > 6 22 Se 0.18185563894817 0.87500000000000 0.25300948614717 78.960 > 6 23 Se 0.18185563894817 0.37500000000000 0.75300948614717 78.960 > 6 24 Se 0.18185563894817 0.87500000000000 0.75300948614717 78.960 > 6 25 Se 0.81814436105183 0.12500000000000 0.24699051385283 78.960 > 7 26 Se 0.81814436105183 0.62500000000000 0.24699051385283 78.960 > 7 27 Se 0.81814436105183 0.12500000000000 0.74699051385283 78.960 > 7 28 Se 0.81814436105183 0.62500000000000 0.74699051385283 78.960 > 7 29 Se 0.31814436105183 0.12500000000000 0.00300948614717 78.960 > 8 30 Se 0.31814436105183 0.62500000000000 0.00300948614717 78.960 > 8 31 Se 0.31814436105183 0.12500000000000 0.50300948614717 78.960 > 8 32 Se 0.31814436105183 0.62500000000000 0.50300948614717 78.960 > 8 *33 O 0.85825790799398 0.37500000000000 0.48599077663468 15.999 > 9 34 O 0.85825790799398 0.87500000000000 0.48599077663468 15.999 > 9 35 O 0.85825790799398 0.37500000000000 0.98599077663468 15.999 > 9 36 O 0.85825790799398 0.87500000000000 0.98599077663468 15.999 > 9 *37 O 0.62870771228357 0.47133190908071 0.42830539415993 15.999 > 10 38 O 0.62870771228357 0.97133190908071 0.42830539415993 15.999 > 10 39 O 0.62870771228357 0.47133190908071 0.92830539415993 15.999 > 10 40 O 0.62870771228357 0.97133190908071 0.92830539415993 15.999 > 10 41 O 0.62870771228357 0.27866809091929 0.42830539415993 15.999 > 11 42 O 0.62870771228357 0.77866809091929 0.42830539415993 15.999 > 11 43 O 0.62870771228357 0.27866809091929 0.92830539415993 15.999 > 11 44 O 0.62870771228357 0.77866809091929 0.92830539415993 15.999 > 11 *45 O 0.87171462415762 0.12500000000000 0.40560614477578 15.999 > 12 46 O 0.87171462415762 0.62500000000000 0.40560614477578 15.999 > 12 47 O 0.87171462415762 0.12500000000000 0.90560614477578 15.999 > 12 48 O 0.87171462415762 0.62500000000000 0.90560614477578 15.999 > 12 49 O 0.37171462415762 0.12500000000000 0.34439385522422 15.999 > 13 50 O 0.37171462415762 0.62500000000000 0.34439385522422 15.999 > 13 51 O 0.37171462415762 0.12500000000000 0.84439385522422 15.999 > 13 52 O 0.37171462415762 0.62500000000000 0.84439385522422 15.999 > 13 53 O 0.12870771228357 0.47133190908071 0.32169460584007 15.999 > 14 54 O 0.12870771228357 0.97133190908071 0.32169460584007 15.999 > 14 55 O 0.12870771228357 0.47133190908071 0.82169460584007 15.999 > 14 56 O 0.12870771228357 0.97133190908071 0.82169460584007 15.999 > 14 57 O 0.12870771228357 0.27866809091929 0.32169460584007 15.999 > 15 58 O 0.12870771228357 0.77866809091929 0.32169460584007 15.999 > 15 59 O 0.12870771228357 0.27866809091929 0.82169460584007 15.999 > 15 60 O 0.12870771228357 0.77866809091929 0.82169460584007 15.999 > 15 61 O 0.35825790799398 0.37500000000000 0.26400922336532 15.999 > 16 62 O 0.35825790799398 0.87500000000000 0.26400922336532 15.999 > 16 63 O 0.35825790799398 0.37500000000000 0.76400922336532 15.999 > 16 64 O 0.35825790799398 0.87500000000000 0.76400922336532 15.999 > 16 65 O 0.64174209200602 0.12500000000000 0.23599077663468 15.999 > 17 66 O 0.64174209200602 0.62500000000000 0.23599077663468 15.999 > 17 67 O 0.64174209200602 0.12500000000000 0.73599077663468 15.999 > 17 68 O 0.64174209200602 0.62500000000000 0.73599077663468 15.999 > 17 69 O 0.87129228771643 0.22133190908071 0.17830539415993 15.999 > 18 70 O 0.87129228771643 0.72133190908071 0.17830539415993 15.999 > 18 71 O 0.87129228771643 0.22133190908071 0.67830539415993 15.999 > 18 72 O 0.87129228771643 0.72133190908071 0.67830539415993 15.999 > 18 73 O 0.87129228771643 0.02866809091929 0.17830539415993 15.999 > 19 74 O 0.87129228771643 0.52866809091929 0.17830539415993 15.999 > 19 75 O 0.87129228771643 0.02866809091929 0.67830539415993 15.999 > 19 76 O 0.87129228771643 0.52866809091929 0.67830539415993 15.999 > 19 77 O 0.62828537584238 0.37500000000000 0.15560614477578 15.999 > 20 78 O 0.62828537584238 0.87500000000000 0.15560614477578 15.999 > 20 79 O 0.62828537584238 0.37500000000000 0.65560614477578 15.999 > 20 80 O 0.62828537584238 0.87500000000000 0.65560614477578 15.999 > 20 81 O 0.12828537584238 0.37500000000000 0.09439385522422 15.999 > 21 82 O 0.12828537584238 0.87500000000000 0.09439385522422 15.999 > 21 83 O 0.12828537584238 0.37500000000000 0.59439385522422 15.999 > 21 84 O 0.12828537584238 0.87500000000000 0.59439385522422 15.999 > 21 85 O 0.37129228771643 0.22133190908071 0.07169460584006 15.999 > 22 86 O 0.37129228771643 0.72133190908071 0.07169460584006 15.999 > 22 87 O 0.37129228771643 0.22133190908071 0.57169460584007 15.999 > 22 88 O 0.37129228771643 0.72133190908071 0.57169460584007 15.999 > 22 89 O 0.37129228771643 0.02866809091929 0.07169460584006 15.999 > 23 90 O 0.37129228771643 0.52866809091929 0.07169460584006 15.999 > 23 91 O 0.37129228771643 0.02866809091929 0.57169460584007 15.999 > 23 92 O 0.37129228771643 0.52866809091929 0.57169460584007 15.999 > 23 93 O 0.14174209200602 0.12500000000000 0.01400922336532 15.999 > 24 94 O 0.14174209200602 0.62500000000000 0.01400922336532 15.999 > 24 95 O 0.14174209200602 0.12500000000000 0.51400922336532 15.999 > 24 96 O 0.14174209200602 0.62500000000000 0.51400922336532 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5669177 0.0000000 0.0000000 0.0000000 3.4317298 0.0000000 0.0000000 0.0000000 3.4844926 -------------------------- Born effective charges -------------------------- 1 Cd 2.6990719 0.2950965 -0.2055979 -0.2315075 2.6314338 0.2667365 -0.0055933 -0.3706749 2.5699756 2 Cd 2.6990719 -0.2950965 -0.2055979 0.2315075 2.6314338 -0.2667365 -0.0055933 0.3706749 2.5699756 3 Cd 2.6990719 0.2950965 0.2055979 -0.2315075 2.6314338 -0.2667365 0.0055933 0.3706749 2.5699756 4 Cd 2.6990719 -0.2950965 0.2055979 0.2315075 2.6314338 0.2667365 0.0055933 -0.3706749 2.5699756 5 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 6 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 7 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 8 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 9 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 10 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 11 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 12 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 13 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 14 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 15 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 16 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 17 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 18 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 19 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 20 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 21 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 22 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 23 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 24 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 ---------------------------------------------------------------------------- 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: 1413 Number of blocks in projector: 1413 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.571 Solver_block: 200 / 400 - Time: 1.567 Solver_block: 300 / 400 - Time: 1.564 Solver_block: 400 / 400 - Time: 1.566 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.301 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1413 Number of blocks in projector: 1413 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 254 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 193 Use standard eigh solver. Tree of FC basis block matrices: - (1413, 1380), data: False |-- (193, 188), data: True |-- (193, 188), data: True |-- (193, 188), data: True |-- (254, 250), data: True |-- (254, 250), data: True |-- (326, 316), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:37:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:37:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.331187540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.044735200000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 3 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 4 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 5 Se 0.68185563894817 0.75000000000000 0.99398102770566 78.960 6 Se 0.18185563894817 0.75000000000000 0.50601897229434 78.960 7 Se 0.81814436105183 0.25000000000000 0.49398102770566 78.960 8 Se 0.31814436105183 0.25000000000000 0.00601897229434 78.960 9 O 0.85825790799398 0.75000000000000 0.97198155326936 15.999 10 O 0.62870771228357 0.94266381816142 0.85661078831987 15.999 11 O 0.62870771228357 0.55733618183858 0.85661078831987 15.999 12 O 0.87171462415762 0.25000000000000 0.81121228955155 15.999 13 O 0.37171462415762 0.25000000000000 0.68878771044845 15.999 14 O 0.12870771228357 0.94266381816142 0.64338921168013 15.999 15 O 0.12870771228357 0.55733618183858 0.64338921168013 15.999 16 O 0.35825790799398 0.75000000000000 0.52801844673064 15.999 17 O 0.64174209200602 0.25000000000000 0.47198155326936 15.999 18 O 0.87129228771643 0.44266381816142 0.35661078831987 15.999 19 O 0.87129228771643 0.05733618183858 0.35661078831987 15.999 20 O 0.62828537584238 0.75000000000000 0.31121228955155 15.999 21 O 0.12828537584238 0.75000000000000 0.18878771044845 15.999 22 O 0.37129228771643 0.44266381816142 0.14338921168013 15.999 23 O 0.37129228771643 0.05733618183858 0.14338921168013 15.999 24 O 0.14174209200602 0.25000000000000 0.02801844673064 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.662375080000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.089470400000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 5 6 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 5 7 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 5 8 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 5 9 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 9 10 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 9 11 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 9 12 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 9 13 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 13 14 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 13 15 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 13 16 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 13 17 Se 0.68185563894817 0.37500000000000 0.49699051385283 78.960 > 17 18 Se 0.68185563894817 0.87500000000000 0.49699051385283 78.960 > 17 19 Se 0.68185563894817 0.37500000000000 0.99699051385283 78.960 > 17 20 Se 0.68185563894817 0.87500000000000 0.99699051385283 78.960 > 17 21 Se 0.18185563894817 0.37500000000000 0.25300948614717 78.960 > 21 22 Se 0.18185563894817 0.87500000000000 0.25300948614717 78.960 > 21 23 Se 0.18185563894817 0.37500000000000 0.75300948614717 78.960 > 21 24 Se 0.18185563894817 0.87500000000000 0.75300948614717 78.960 > 21 25 Se 0.81814436105183 0.12500000000000 0.24699051385283 78.960 > 25 26 Se 0.81814436105183 0.62500000000000 0.24699051385283 78.960 > 25 27 Se 0.81814436105183 0.12500000000000 0.74699051385283 78.960 > 25 28 Se 0.81814436105183 0.62500000000000 0.74699051385283 78.960 > 25 29 Se 0.31814436105183 0.12500000000000 0.00300948614717 78.960 > 29 30 Se 0.31814436105183 0.62500000000000 0.00300948614717 78.960 > 29 31 Se 0.31814436105183 0.12500000000000 0.50300948614717 78.960 > 29 32 Se 0.31814436105183 0.62500000000000 0.50300948614717 78.960 > 29 33 O 0.85825790799398 0.37500000000000 0.48599077663468 15.999 > 33 34 O 0.85825790799398 0.87500000000000 0.48599077663468 15.999 > 33 35 O 0.85825790799398 0.37500000000000 0.98599077663468 15.999 > 33 36 O 0.85825790799398 0.87500000000000 0.98599077663468 15.999 > 33 37 O 0.62870771228357 0.47133190908071 0.42830539415993 15.999 > 37 38 O 0.62870771228357 0.97133190908071 0.42830539415993 15.999 > 37 39 O 0.62870771228357 0.47133190908071 0.92830539415993 15.999 > 37 40 O 0.62870771228357 0.97133190908071 0.92830539415993 15.999 > 37 41 O 0.62870771228357 0.27866809091929 0.42830539415993 15.999 > 41 42 O 0.62870771228357 0.77866809091929 0.42830539415993 15.999 > 41 43 O 0.62870771228357 0.27866809091929 0.92830539415993 15.999 > 41 44 O 0.62870771228357 0.77866809091929 0.92830539415993 15.999 > 41 45 O 0.87171462415762 0.12500000000000 0.40560614477578 15.999 > 45 46 O 0.87171462415762 0.62500000000000 0.40560614477578 15.999 > 45 47 O 0.87171462415762 0.12500000000000 0.90560614477578 15.999 > 45 48 O 0.87171462415762 0.62500000000000 0.90560614477578 15.999 > 45 49 O 0.37171462415762 0.12500000000000 0.34439385522422 15.999 > 49 50 O 0.37171462415762 0.62500000000000 0.34439385522422 15.999 > 49 51 O 0.37171462415762 0.12500000000000 0.84439385522422 15.999 > 49 52 O 0.37171462415762 0.62500000000000 0.84439385522422 15.999 > 49 53 O 0.12870771228357 0.47133190908071 0.32169460584007 15.999 > 53 54 O 0.12870771228357 0.97133190908071 0.32169460584007 15.999 > 53 55 O 0.12870771228357 0.47133190908071 0.82169460584007 15.999 > 53 56 O 0.12870771228357 0.97133190908071 0.82169460584007 15.999 > 53 57 O 0.12870771228357 0.27866809091929 0.32169460584007 15.999 > 57 58 O 0.12870771228357 0.77866809091929 0.32169460584007 15.999 > 57 59 O 0.12870771228357 0.27866809091929 0.82169460584007 15.999 > 57 60 O 0.12870771228357 0.77866809091929 0.82169460584007 15.999 > 57 61 O 0.35825790799398 0.37500000000000 0.26400922336532 15.999 > 61 62 O 0.35825790799398 0.87500000000000 0.26400922336532 15.999 > 61 63 O 0.35825790799398 0.37500000000000 0.76400922336532 15.999 > 61 64 O 0.35825790799398 0.87500000000000 0.76400922336532 15.999 > 61 65 O 0.64174209200602 0.12500000000000 0.23599077663468 15.999 > 65 66 O 0.64174209200602 0.62500000000000 0.23599077663468 15.999 > 65 67 O 0.64174209200602 0.12500000000000 0.73599077663468 15.999 > 65 68 O 0.64174209200602 0.62500000000000 0.73599077663468 15.999 > 65 69 O 0.87129228771643 0.22133190908071 0.17830539415993 15.999 > 69 70 O 0.87129228771643 0.72133190908071 0.17830539415993 15.999 > 69 71 O 0.87129228771643 0.22133190908071 0.67830539415993 15.999 > 69 72 O 0.87129228771643 0.72133190908071 0.67830539415993 15.999 > 69 73 O 0.87129228771643 0.02866809091929 0.17830539415993 15.999 > 73 74 O 0.87129228771643 0.52866809091929 0.17830539415993 15.999 > 73 75 O 0.87129228771643 0.02866809091929 0.67830539415993 15.999 > 73 76 O 0.87129228771643 0.52866809091929 0.67830539415993 15.999 > 73 77 O 0.62828537584238 0.37500000000000 0.15560614477578 15.999 > 77 78 O 0.62828537584238 0.87500000000000 0.15560614477578 15.999 > 77 79 O 0.62828537584238 0.37500000000000 0.65560614477578 15.999 > 77 80 O 0.62828537584238 0.87500000000000 0.65560614477578 15.999 > 77 81 O 0.12828537584238 0.37500000000000 0.09439385522422 15.999 > 81 82 O 0.12828537584238 0.87500000000000 0.09439385522422 15.999 > 81 83 O 0.12828537584238 0.37500000000000 0.59439385522422 15.999 > 81 84 O 0.12828537584238 0.87500000000000 0.59439385522422 15.999 > 81 85 O 0.37129228771643 0.22133190908071 0.07169460584006 15.999 > 85 86 O 0.37129228771643 0.72133190908071 0.07169460584006 15.999 > 85 87 O 0.37129228771643 0.22133190908071 0.57169460584007 15.999 > 85 88 O 0.37129228771643 0.72133190908071 0.57169460584007 15.999 > 85 89 O 0.37129228771643 0.02866809091929 0.07169460584006 15.999 > 89 90 O 0.37129228771643 0.52866809091929 0.07169460584006 15.999 > 89 91 O 0.37129228771643 0.02866809091929 0.57169460584007 15.999 > 89 92 O 0.37129228771643 0.52866809091929 0.57169460584007 15.999 > 89 93 O 0.14174209200602 0.12500000000000 0.01400922336532 15.999 > 93 94 O 0.14174209200602 0.62500000000000 0.01400922336532 15.999 > 93 95 O 0.14174209200602 0.12500000000000 0.51400922336532 15.999 > 93 96 O 0.14174209200602 0.62500000000000 0.51400922336532 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5669177 0.0000000 0.0000000 0.0000000 3.4317298 0.0000000 0.0000000 0.0000000 3.4844926 -------------------------- Born effective charges -------------------------- 1 Cd 2.6990719 0.2950965 -0.2055979 -0.2315075 2.6314338 0.2667365 -0.0055933 -0.3706749 2.5699756 2 Cd 2.6990719 -0.2950965 -0.2055979 0.2315075 2.6314338 -0.2667365 -0.0055933 0.3706749 2.5699756 3 Cd 2.6990719 0.2950965 0.2055979 -0.2315075 2.6314338 -0.2667365 0.0055933 0.3706749 2.5699756 4 Cd 2.6990719 -0.2950965 0.2055979 0.2315075 2.6314338 0.2667365 0.0055933 -0.3706749 2.5699756 5 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 6 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 7 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 8 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 9 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 10 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 11 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 12 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 13 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 14 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 15 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 16 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 17 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 18 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 19 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 20 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 21 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 22 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 23 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 24 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 ---------------------------------------------------------------------------- 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[ 17, 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[ 37, 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[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000041 (xxx) -0.00000041 (xxx) -0.00000041 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zx) -0.00000005 (zx) 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 2026-01-09 03:37:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:37:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.331187540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.044735200000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 3 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 4 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 5 Se 0.68185563894817 0.75000000000000 0.99398102770566 78.960 6 Se 0.18185563894817 0.75000000000000 0.50601897229434 78.960 7 Se 0.81814436105183 0.25000000000000 0.49398102770566 78.960 8 Se 0.31814436105183 0.25000000000000 0.00601897229434 78.960 9 O 0.85825790799398 0.75000000000000 0.97198155326936 15.999 10 O 0.62870771228357 0.94266381816142 0.85661078831987 15.999 11 O 0.62870771228357 0.55733618183858 0.85661078831987 15.999 12 O 0.87171462415762 0.25000000000000 0.81121228955155 15.999 13 O 0.37171462415762 0.25000000000000 0.68878771044845 15.999 14 O 0.12870771228357 0.94266381816142 0.64338921168013 15.999 15 O 0.12870771228357 0.55733618183858 0.64338921168013 15.999 16 O 0.35825790799398 0.75000000000000 0.52801844673064 15.999 17 O 0.64174209200602 0.25000000000000 0.47198155326936 15.999 18 O 0.87129228771643 0.44266381816142 0.35661078831987 15.999 19 O 0.87129228771643 0.05733618183858 0.35661078831987 15.999 20 O 0.62828537584238 0.75000000000000 0.31121228955155 15.999 21 O 0.12828537584238 0.75000000000000 0.18878771044845 15.999 22 O 0.37129228771643 0.44266381816142 0.14338921168013 15.999 23 O 0.37129228771643 0.05733618183858 0.14338921168013 15.999 24 O 0.14174209200602 0.25000000000000 0.02801844673064 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.553554490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.662375080000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.089470400000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 5 6 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 5 7 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 5 8 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 5 9 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 9 10 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 9 11 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 9 12 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 9 13 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 13 14 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 13 15 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 13 16 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 13 17 Se 0.68185563894817 0.37500000000000 0.49699051385283 78.960 > 17 18 Se 0.68185563894817 0.87500000000000 0.49699051385283 78.960 > 17 19 Se 0.68185563894817 0.37500000000000 0.99699051385283 78.960 > 17 20 Se 0.68185563894817 0.87500000000000 0.99699051385283 78.960 > 17 21 Se 0.18185563894817 0.37500000000000 0.25300948614717 78.960 > 21 22 Se 0.18185563894817 0.87500000000000 0.25300948614717 78.960 > 21 23 Se 0.18185563894817 0.37500000000000 0.75300948614717 78.960 > 21 24 Se 0.18185563894817 0.87500000000000 0.75300948614717 78.960 > 21 25 Se 0.81814436105183 0.12500000000000 0.24699051385283 78.960 > 25 26 Se 0.81814436105183 0.62500000000000 0.24699051385283 78.960 > 25 27 Se 0.81814436105183 0.12500000000000 0.74699051385283 78.960 > 25 28 Se 0.81814436105183 0.62500000000000 0.74699051385283 78.960 > 25 29 Se 0.31814436105183 0.12500000000000 0.00300948614717 78.960 > 29 30 Se 0.31814436105183 0.62500000000000 0.00300948614717 78.960 > 29 31 Se 0.31814436105183 0.12500000000000 0.50300948614717 78.960 > 29 32 Se 0.31814436105183 0.62500000000000 0.50300948614717 78.960 > 29 33 O 0.85825790799398 0.37500000000000 0.48599077663468 15.999 > 33 34 O 0.85825790799398 0.87500000000000 0.48599077663468 15.999 > 33 35 O 0.85825790799398 0.37500000000000 0.98599077663468 15.999 > 33 36 O 0.85825790799398 0.87500000000000 0.98599077663468 15.999 > 33 37 O 0.62870771228357 0.47133190908071 0.42830539415993 15.999 > 37 38 O 0.62870771228357 0.97133190908071 0.42830539415993 15.999 > 37 39 O 0.62870771228357 0.47133190908071 0.92830539415993 15.999 > 37 40 O 0.62870771228357 0.97133190908071 0.92830539415993 15.999 > 37 41 O 0.62870771228357 0.27866809091929 0.42830539415993 15.999 > 41 42 O 0.62870771228357 0.77866809091929 0.42830539415993 15.999 > 41 43 O 0.62870771228357 0.27866809091929 0.92830539415993 15.999 > 41 44 O 0.62870771228357 0.77866809091929 0.92830539415993 15.999 > 41 45 O 0.87171462415762 0.12500000000000 0.40560614477578 15.999 > 45 46 O 0.87171462415762 0.62500000000000 0.40560614477578 15.999 > 45 47 O 0.87171462415762 0.12500000000000 0.90560614477578 15.999 > 45 48 O 0.87171462415762 0.62500000000000 0.90560614477578 15.999 > 45 49 O 0.37171462415762 0.12500000000000 0.34439385522422 15.999 > 49 50 O 0.37171462415762 0.62500000000000 0.34439385522422 15.999 > 49 51 O 0.37171462415762 0.12500000000000 0.84439385522422 15.999 > 49 52 O 0.37171462415762 0.62500000000000 0.84439385522422 15.999 > 49 53 O 0.12870771228357 0.47133190908071 0.32169460584007 15.999 > 53 54 O 0.12870771228357 0.97133190908071 0.32169460584007 15.999 > 53 55 O 0.12870771228357 0.47133190908071 0.82169460584007 15.999 > 53 56 O 0.12870771228357 0.97133190908071 0.82169460584007 15.999 > 53 57 O 0.12870771228357 0.27866809091929 0.32169460584007 15.999 > 57 58 O 0.12870771228357 0.77866809091929 0.32169460584007 15.999 > 57 59 O 0.12870771228357 0.27866809091929 0.82169460584007 15.999 > 57 60 O 0.12870771228357 0.77866809091929 0.82169460584007 15.999 > 57 61 O 0.35825790799398 0.37500000000000 0.26400922336532 15.999 > 61 62 O 0.35825790799398 0.87500000000000 0.26400922336532 15.999 > 61 63 O 0.35825790799398 0.37500000000000 0.76400922336532 15.999 > 61 64 O 0.35825790799398 0.87500000000000 0.76400922336532 15.999 > 61 65 O 0.64174209200602 0.12500000000000 0.23599077663468 15.999 > 65 66 O 0.64174209200602 0.62500000000000 0.23599077663468 15.999 > 65 67 O 0.64174209200602 0.12500000000000 0.73599077663468 15.999 > 65 68 O 0.64174209200602 0.62500000000000 0.73599077663468 15.999 > 65 69 O 0.87129228771643 0.22133190908071 0.17830539415993 15.999 > 69 70 O 0.87129228771643 0.72133190908071 0.17830539415993 15.999 > 69 71 O 0.87129228771643 0.22133190908071 0.67830539415993 15.999 > 69 72 O 0.87129228771643 0.72133190908071 0.67830539415993 15.999 > 69 73 O 0.87129228771643 0.02866809091929 0.17830539415993 15.999 > 73 74 O 0.87129228771643 0.52866809091929 0.17830539415993 15.999 > 73 75 O 0.87129228771643 0.02866809091929 0.67830539415993 15.999 > 73 76 O 0.87129228771643 0.52866809091929 0.67830539415993 15.999 > 73 77 O 0.62828537584238 0.37500000000000 0.15560614477578 15.999 > 77 78 O 0.62828537584238 0.87500000000000 0.15560614477578 15.999 > 77 79 O 0.62828537584238 0.37500000000000 0.65560614477578 15.999 > 77 80 O 0.62828537584238 0.87500000000000 0.65560614477578 15.999 > 77 81 O 0.12828537584238 0.37500000000000 0.09439385522422 15.999 > 81 82 O 0.12828537584238 0.87500000000000 0.09439385522422 15.999 > 81 83 O 0.12828537584238 0.37500000000000 0.59439385522422 15.999 > 81 84 O 0.12828537584238 0.87500000000000 0.59439385522422 15.999 > 81 85 O 0.37129228771643 0.22133190908071 0.07169460584006 15.999 > 85 86 O 0.37129228771643 0.72133190908071 0.07169460584006 15.999 > 85 87 O 0.37129228771643 0.22133190908071 0.57169460584007 15.999 > 85 88 O 0.37129228771643 0.72133190908071 0.57169460584007 15.999 > 85 89 O 0.37129228771643 0.02866809091929 0.07169460584006 15.999 > 89 90 O 0.37129228771643 0.52866809091929 0.07169460584006 15.999 > 89 91 O 0.37129228771643 0.02866809091929 0.57169460584007 15.999 > 89 92 O 0.37129228771643 0.52866809091929 0.57169460584007 15.999 > 89 93 O 0.14174209200602 0.12500000000000 0.01400922336532 15.999 > 93 94 O 0.14174209200602 0.62500000000000 0.01400922336532 15.999 > 93 95 O 0.14174209200602 0.12500000000000 0.51400922336532 15.999 > 93 96 O 0.14174209200602 0.62500000000000 0.51400922336532 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5669177 0.0000000 0.0000000 0.0000000 3.4317298 0.0000000 0.0000000 0.0000000 3.4844926 -------------------------- Born effective charges -------------------------- 1 Cd 2.6990719 0.2950965 -0.2055979 -0.2315075 2.6314338 0.2667365 -0.0055933 -0.3706749 2.5699756 2 Cd 2.6990719 -0.2950965 -0.2055979 0.2315075 2.6314338 -0.2667365 -0.0055933 0.3706749 2.5699756 3 Cd 2.6990719 0.2950965 0.2055979 -0.2315075 2.6314338 -0.2667365 0.0055933 0.3706749 2.5699756 4 Cd 2.6990719 -0.2950965 0.2055979 0.2315075 2.6314338 0.2667365 0.0055933 -0.3706749 2.5699756 5 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 6 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 7 Se 3.7249517 0.0000000 0.4465307 0.0000000 3.2058517 0.0000000 -0.3164240 0.0000000 3.6479206 8 Se 3.7249517 0.0000000 -0.4465307 0.0000000 3.2058517 0.0000000 0.3164240 0.0000000 3.6479206 9 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 10 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 11 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 12 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 13 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 14 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 15 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 16 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 17 O -2.7783716 0.0000000 -0.1866035 0.0000000 -1.3995639 0.0000000 0.1918967 0.0000000 -0.8760034 18 O -1.1869173 -0.4057942 0.3339258 -0.3815391 -1.5702967 0.5035714 0.4522400 0.6235419 -1.5313129 19 O -1.1869173 0.4057942 0.3339258 0.3815391 -1.5702967 -0.5035714 0.4522400 -0.6235419 -1.5313129 20 O -1.2718174 0.0000000 0.8047638 0.0000000 -1.2971282 0.0000000 0.6835773 0.0000000 -2.2792670 21 O -1.2718174 0.0000000 -0.8047638 0.0000000 -1.2971282 0.0000000 -0.6835773 0.0000000 -2.2792670 22 O -1.1869173 -0.4057942 -0.3339258 -0.3815391 -1.5702967 -0.5035714 -0.4522400 -0.6235419 -1.5313129 23 O -1.1869173 0.4057942 -0.3339258 0.3815391 -1.5702967 0.5035714 -0.4522400 0.6235419 -1.5313129 24 O -2.7783716 0.0000000 0.1866035 0.0000000 -1.3995639 0.0000000 -0.1918967 0.0000000 -0.8760034 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000041 (xxx) -0.00000041 (xxx) -0.00000041 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 10 ] 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: 0.59, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.965 ( 0.000 0.000 0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.548 ( 0.000 0.000 0.000) 0.000 13.443 ( 0.000 0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 22.319 ( 0.000 0.000 0.000) 0.000 22.761 ( 0.000 0.000 0.000) 0.000 22.872 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.180 ( 0.000 0.000 0.000) 0.000 23.518 ( 0.000 0.000 0.000) 0.000 23.827 ( 0.000 0.000 0.000) 0.000 24.360 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 25.197 ( 0.000 0.000 0.000) 0.000 25.411 ( 0.000 0.000 0.000) 0.000 25.799 ( 0.000 0.000 0.000) 0.000 26.048 ( 0.000 0.000 0.000) 0.000 26.077 ( 0.000 0.000 0.000) 0.000 26.274 ( 0.000 0.000 0.000) 0.000 26.514 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 16.119 0.000 0.000) 16.119 0.534 ( 23.602 0.000 0.000) 23.602 0.974 ( -3.625 0.000 0.000) 3.625 1.069 ( 49.886 0.000 0.000) 49.886 1.266 ( -1.773 0.000 0.000) 1.773 1.316 ( 5.776 0.000 0.000) 5.776 1.860 ( 14.039 0.000 0.000) 14.039 1.865 ( -2.898 0.000 0.000) 2.898 2.360 ( 16.002 0.000 0.000) 16.002 2.414 ( 0.853 0.000 0.000) 0.853 2.589 ( -3.449 0.000 0.000) 3.449 2.773 ( 3.471 0.000 0.000) 3.471 2.834 ( -7.788 0.000 0.000) 7.788 2.989 ( 2.067 0.000 0.000) 2.067 3.119 ( -0.822 0.000 0.000) 0.822 3.149 ( -4.251 0.000 0.000) 4.251 3.218 ( -3.652 0.000 0.000) 3.652 3.576 ( -0.507 0.000 0.000) 0.507 3.637 ( -7.959 0.000 0.000) 7.959 3.980 ( -4.235 0.000 0.000) 4.235 4.003 ( 12.948 0.000 0.000) 12.948 4.446 ( -23.160 0.000 0.000) 23.160 4.450 ( -10.667 0.000 0.000) 10.667 4.710 ( -11.704 0.000 0.000) 11.704 4.792 ( -13.204 0.000 0.000) 13.204 4.837 ( -5.773 0.000 0.000) 5.773 5.325 ( 7.671 0.000 0.000) 7.671 5.577 ( 10.743 0.000 0.000) 10.743 5.637 ( 15.527 0.000 0.000) 15.527 5.729 ( 10.240 0.000 0.000) 10.240 6.182 ( -2.717 0.000 0.000) 2.717 6.620 ( -5.384 0.000 0.000) 5.384 7.165 ( 10.206 0.000 0.000) 10.206 8.165 ( -10.160 0.000 0.000) 10.160 8.295 ( 0.712 0.000 0.000) 0.712 8.411 ( -2.093 0.000 0.000) 2.093 8.788 ( 4.710 0.000 0.000) 4.710 9.255 ( -6.642 0.000 0.000) 6.642 9.375 ( 1.876 0.000 0.000) 1.876 9.466 ( 0.974 0.000 0.000) 0.974 10.471 ( 0.969 0.000 0.000) 0.969 10.551 ( -0.893 0.000 0.000) 0.893 10.830 ( 0.168 0.000 0.000) 0.168 10.846 ( -0.412 0.000 0.000) 0.412 10.866 ( 4.045 0.000 0.000) 4.045 10.894 ( 1.964 0.000 0.000) 1.964 11.005 ( -0.611 0.000 0.000) 0.611 11.273 ( -4.844 0.000 0.000) 4.844 11.386 ( 2.202 0.000 0.000) 2.202 11.390 ( -0.343 0.000 0.000) 0.343 11.409 ( -0.749 0.000 0.000) 0.749 11.536 ( -1.193 0.000 0.000) 1.193 13.474 ( 2.862 0.000 0.000) 2.862 13.696 ( -2.058 0.000 0.000) 2.058 14.278 ( 0.018 0.000 0.000) 0.018 14.284 ( -0.117 0.000 0.000) 0.117 22.380 ( 5.430 0.000 0.000) 5.430 22.796 ( -4.786 0.000 0.000) 4.786 22.960 ( 3.368 0.000 0.000) 3.368 23.156 ( -2.130 0.000 0.000) 2.130 23.454 ( 3.213 0.000 0.000) 3.213 23.781 ( -4.111 0.000 0.000) 4.111 24.374 ( 1.263 0.000 0.000) 1.263 24.512 ( -2.056 0.000 0.000) 2.056 25.019 ( 2.477 0.000 0.000) 2.477 25.183 ( -1.358 0.000 0.000) 1.358 25.809 ( 0.945 0.000 0.000) 0.945 25.964 ( -4.064 0.000 0.000) 4.064 26.178 ( 5.684 0.000 0.000) 5.684 26.246 ( 0.140 0.000 0.000) 0.140 26.270 ( -0.385 0.000 0.000) 0.385 26.486 ( -2.650 0.000 0.000) 2.650 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 11.367 0.000 0.000) 11.367 0.859 ( -7.365 0.000 0.000) 7.365 0.947 ( 15.175 0.000 0.000) 15.175 1.175 ( -7.199 0.000 0.000) 7.199 1.498 ( 11.164 0.000 0.000) 11.164 1.732 ( -9.661 0.000 0.000) 9.661 2.044 ( 40.213 0.000 0.000) 40.213 2.203 ( 15.962 0.000 0.000) 15.962 2.447 ( 2.443 0.000 0.000) 2.443 2.513 ( -3.622 0.000 0.000) 3.622 2.628 ( -9.791 0.000 0.000) 9.791 2.776 ( 18.457 0.000 0.000) 18.457 2.854 ( 3.760 0.000 0.000) 3.760 2.902 ( -24.496 0.000 0.000) 24.496 3.048 ( 3.428 0.000 0.000) 3.428 3.068 ( 0.044 0.000 0.000) 0.044 3.117 ( -2.800 0.000 0.000) 2.800 3.356 ( -18.445 0.000 0.000) 18.445 3.665 ( 6.616 0.000 0.000) 6.616 3.832 ( -8.913 0.000 0.000) 8.913 4.059 ( -1.968 0.000 0.000) 1.968 4.199 ( -11.722 0.000 0.000) 11.722 4.362 ( 13.635 0.000 0.000) 13.635 4.534 ( -3.550 0.000 0.000) 3.550 4.571 ( -6.748 0.000 0.000) 6.748 4.646 ( -12.095 0.000 0.000) 12.095 5.544 ( 12.160 0.000 0.000) 12.160 5.760 ( -5.517 0.000 0.000) 5.517 5.776 ( 7.262 0.000 0.000) 7.262 5.851 ( 0.743 0.000 0.000) 0.743 6.235 ( 9.314 0.000 0.000) 9.314 6.457 ( -9.928 0.000 0.000) 9.928 7.474 ( 18.256 0.000 0.000) 18.256 7.866 ( -17.671 0.000 0.000) 17.671 8.319 ( 1.628 0.000 0.000) 1.628 8.362 ( -2.384 0.000 0.000) 2.384 8.922 ( 7.720 0.000 0.000) 7.720 9.094 ( -8.335 0.000 0.000) 8.335 9.422 ( 2.392 0.000 0.000) 2.392 9.463 ( -1.216 0.000 0.000) 1.216 10.497 ( 1.392 0.000 0.000) 1.392 10.526 ( -1.344 0.000 0.000) 1.344 10.835 ( 0.232 0.000 0.000) 0.232 10.840 ( -0.252 0.000 0.000) 0.252 10.940 ( 2.304 0.000 0.000) 2.304 10.983 ( -1.586 0.000 0.000) 1.586 10.985 ( 6.963 0.000 0.000) 6.963 11.140 ( -7.407 0.000 0.000) 7.407 11.385 ( -0.018 0.000 0.000) 0.018 11.392 ( -0.671 0.000 0.000) 0.671 11.442 ( 2.925 0.000 0.000) 2.925 11.499 ( -2.332 0.000 0.000) 2.332 13.551 ( 4.128 0.000 0.000) 4.128 13.635 ( -3.644 0.000 0.000) 3.644 14.279 ( 0.080 0.000 0.000) 0.080 14.281 ( -0.142 0.000 0.000) 0.142 22.523 ( 7.641 0.000 0.000) 7.641 22.677 ( -6.647 0.000 0.000) 6.647 23.031 ( 3.383 0.000 0.000) 3.383 23.099 ( -3.100 0.000 0.000) 3.100 23.546 ( 5.416 0.000 0.000) 5.416 23.670 ( -6.072 0.000 0.000) 6.072 24.411 ( 2.156 0.000 0.000) 2.156 24.461 ( -2.591 0.000 0.000) 2.591 25.081 ( 3.141 0.000 0.000) 3.141 25.142 ( -2.520 0.000 0.000) 2.520 25.839 ( 1.936 0.000 0.000) 1.936 25.890 ( -2.997 0.000 0.000) 2.997 26.251 ( 0.355 0.000 0.000) 0.355 26.260 ( -0.508 0.000 0.000) 0.508 26.298 ( 5.659 0.000 0.000) 5.659 26.408 ( -4.651 0.000 0.000) 4.651 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 22.730 0.000) 22.730 0.475 ( 0.000 24.304 0.000) 24.304 0.802 ( 0.000 38.964 0.000) 38.964 1.037 ( 0.000 6.980 0.000) 6.980 1.304 ( 0.000 4.618 0.000) 4.618 1.383 ( 0.000 10.263 0.000) 10.263 1.703 ( 0.000 1.361 0.000) 1.361 2.021 ( 0.000 13.581 0.000) 13.581 2.264 ( 0.000 6.065 0.000) 6.065 2.274 ( 0.000 -4.290 0.000) 4.290 2.333 ( 0.000 -7.612 0.000) 7.612 2.655 ( 0.000 -18.161 0.000) 18.161 2.754 ( 0.000 2.211 0.000) 2.211 3.038 ( 0.000 -3.913 0.000) 3.913 3.078 ( 0.000 -10.085 0.000) 10.085 3.098 ( 0.000 -3.023 0.000) 3.023 3.202 ( 0.000 -2.434 0.000) 2.434 3.712 ( 0.000 3.670 0.000) 3.670 3.764 ( 0.000 -2.538 0.000) 2.538 3.934 ( 0.000 -2.282 0.000) 2.282 4.145 ( 0.000 7.501 0.000) 7.501 4.562 ( 0.000 -4.612 0.000) 4.612 4.587 ( 0.000 1.733 0.000) 1.733 4.625 ( 0.000 -16.987 0.000) 16.987 5.051 ( 0.000 14.000 0.000) 14.000 5.061 ( 0.000 6.624 0.000) 6.624 5.095 ( 0.000 -10.630 0.000) 10.630 5.397 ( 0.000 3.883 0.000) 3.883 5.407 ( 0.000 -3.161 0.000) 3.161 5.640 ( 0.000 6.055 0.000) 6.055 5.936 ( 0.000 0.545 0.000) 0.545 6.147 ( 0.000 -7.227 0.000) 7.227 7.162 ( 0.000 9.874 0.000) 9.874 8.257 ( 0.000 -3.233 0.000) 3.233 8.295 ( 0.000 2.243 0.000) 2.243 8.685 ( 0.000 -4.014 0.000) 4.014 8.920 ( 0.000 4.310 0.000) 4.310 9.331 ( 0.000 -2.063 0.000) 2.063 9.336 ( 0.000 -0.414 0.000) 0.414 9.428 ( 0.000 -1.207 0.000) 1.207 10.467 ( 0.000 0.601 0.000) 0.601 10.551 ( 0.000 -0.923 0.000) 0.923 10.591 ( 0.000 -0.957 0.000) 0.957 10.784 ( 0.000 -4.632 0.000) 4.632 10.851 ( 0.000 2.798 0.000) 2.798 10.863 ( 0.000 0.682 0.000) 0.682 10.972 ( 0.000 -2.118 0.000) 2.118 11.050 ( 0.000 -0.956 0.000) 0.956 11.292 ( 0.000 -7.995 0.000) 7.995 11.362 ( 0.000 -2.496 0.000) 2.496 11.407 ( 0.000 6.554 0.000) 6.554 11.599 ( 0.000 3.226 0.000) 3.226 13.524 ( 0.000 7.723 0.000) 7.723 14.257 ( 0.000 -2.120 0.000) 2.120 14.316 ( 0.000 3.088 0.000) 3.088 14.837 ( 0.000 -2.759 0.000) 2.759 22.341 ( 0.000 2.217 0.000) 2.217 22.739 ( 0.000 -2.202 0.000) 2.202 22.876 ( 0.000 0.425 0.000) 0.425 22.902 ( 0.000 0.338 0.000) 0.338 23.196 ( 0.000 1.575 0.000) 1.575 23.500 ( 0.000 -1.754 0.000) 1.754 23.844 ( 0.000 1.873 0.000) 1.873 24.342 ( 0.000 -1.927 0.000) 1.927 25.001 ( 0.000 1.113 0.000) 1.113 25.199 ( 0.000 0.290 0.000) 0.290 25.371 ( 0.000 -3.835 0.000) 3.835 25.852 ( 0.000 -14.348 0.000) 14.348 26.120 ( 0.000 4.266 0.000) 4.266 26.392 ( 0.000 6.665 0.000) 6.665 26.561 ( 0.000 4.564 0.000) 4.564 27.076 ( 0.000 -1.924 0.000) 1.924 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 17.349 4.930 0.000) 18.036 0.563 ( 9.017 16.032 0.000) 18.394 0.998 ( -2.917 4.063 0.000) 5.002 1.243 ( 15.033 9.031 0.000) 17.537 1.356 ( -2.223 8.440 0.000) 8.728 1.510 ( 26.330 19.561 0.000) 32.801 1.708 ( -1.064 -4.017 0.000) 4.156 2.068 ( 3.910 9.011 0.000) 9.823 2.339 ( 1.217 -7.525 0.000) 7.622 2.422 ( 1.663 -10.219 0.000) 10.354 2.442 ( 15.813 7.916 0.000) 17.683 2.617 ( 1.344 -12.122 0.000) 12.196 2.839 ( 1.629 -4.203 0.000) 4.507 2.975 ( -5.791 -11.727 0.000) 13.079 3.089 ( 1.573 1.222 0.000) 1.992 3.161 ( -2.846 -1.257 0.000) 3.112 3.209 ( 3.677 0.742 0.000) 3.751 3.585 ( -15.713 3.540 0.000) 16.107 3.613 ( 0.016 2.797 0.000) 2.797 3.998 ( 13.625 -0.677 0.000) 13.642 4.119 ( -3.294 9.118 0.000) 9.694 4.362 ( -17.305 -6.788 0.000) 18.588 4.454 ( -9.811 0.394 0.000) 9.819 4.731 ( -0.162 -8.349 0.000) 8.351 4.848 ( -13.584 11.748 0.000) 17.959 4.931 ( -13.778 11.737 0.000) 18.099 5.187 ( 8.693 -12.134 0.000) 14.926 5.542 ( 14.840 -6.085 0.000) 16.039 5.581 ( 10.866 -0.400 0.000) 10.873 5.774 ( 5.534 1.498 0.000) 5.733 6.108 ( -2.671 -7.096 0.000) 7.582 6.258 ( 12.860 -19.253 0.000) 23.152 7.264 ( 9.661 9.493 0.000) 13.545 8.198 ( -9.936 2.504 0.000) 10.246 8.267 ( 0.990 -2.941 0.000) 3.103 8.521 ( -11.137 3.031 0.000) 11.542 8.848 ( 2.089 6.132 0.000) 6.478 9.257 ( -6.143 0.272 0.000) 6.149 9.353 ( 1.879 -2.172 0.000) 2.872 9.449 ( 0.744 -1.621 0.000) 1.784 10.458 ( 0.643 -0.892 0.000) 1.100 10.540 ( -0.978 -1.014 0.000) 1.409 10.725 ( 3.647 -7.094 0.000) 7.977 10.785 ( 0.009 -4.691 0.000) 4.691 10.876 ( 1.655 0.080 0.000) 1.657 10.943 ( 4.979 3.550 0.000) 6.115 10.967 ( -0.509 -2.099 0.000) 2.160 11.146 ( 6.979 -9.692 0.000) 11.944 11.263 ( -2.889 -6.377 0.000) 7.001 11.376 ( -2.601 4.720 0.000) 5.390 11.394 ( 2.715 -2.040 0.000) 3.396 11.582 ( -1.685 2.777 0.000) 3.248 13.564 ( 3.750 8.425 0.000) 9.222 14.211 ( -25.078 23.943 0.000) 34.672 14.262 ( 0.460 -1.646 0.000) 1.709 14.320 ( -3.016 5.384 0.000) 6.171 22.405 ( 5.702 2.544 0.000) 6.244 22.809 ( -4.278 1.329 0.000) 4.479 22.957 ( 3.057 -0.339 0.000) 3.075 23.121 ( 0.070 -4.910 0.000) 4.910 23.402 ( 9.034 -5.174 0.000) 10.410 23.796 ( -4.398 1.591 0.000) 4.677 23.871 ( 32.784 -32.739 0.000) 46.332 24.347 ( 0.344 -2.813 0.000) 2.834 25.021 ( 2.039 0.842 0.000) 2.206 25.186 ( -1.274 0.386 0.000) 1.331 25.439 ( 5.757 -10.123 0.000) 11.645 25.805 ( -3.911 -13.580 0.000) 14.132 26.162 ( 3.405 2.898 0.000) 4.471 26.409 ( 1.728 7.263 0.000) 7.465 26.503 ( -5.669 5.047 0.000) 7.590 26.787 ( -15.345 14.753 0.000) 21.286 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 7.690 8.264 0.000) 11.288 0.852 ( 2.691 -0.544 0.000) 2.745 0.987 ( 12.163 4.642 0.000) 13.019 1.261 ( -8.331 8.125 0.000) 11.637 1.435 ( 7.764 -2.538 0.000) 8.168 1.607 ( -8.016 -9.583 0.000) 12.494 2.134 ( 21.623 3.355 0.000) 21.882 2.192 ( 6.383 -2.773 0.000) 6.959 2.388 ( 3.472 -6.756 0.000) 7.596 2.395 ( -0.065 -8.229 0.000) 8.230 2.664 ( 2.223 -2.825 0.000) 3.595 2.803 ( 6.935 3.541 0.000) 7.786 2.836 ( 1.340 -0.364 0.000) 1.389 2.838 ( -0.029 -14.281 0.000) 14.281 3.011 ( -9.546 6.049 0.000) 11.301 3.066 ( -3.794 1.411 0.000) 4.048 3.272 ( 1.165 12.044 0.000) 12.101 3.339 ( -8.166 5.480 0.000) 9.835 3.724 ( 8.937 4.732 0.000) 10.112 3.960 ( -11.673 8.995 0.000) 14.737 4.090 ( -2.116 2.630 0.000) 3.375 4.222 ( -10.985 2.316 0.000) 11.226 4.317 ( 14.154 -3.271 0.000) 14.527 4.593 ( -11.176 -2.094 0.000) 11.370 4.639 ( -4.384 7.088 0.000) 8.334 4.680 ( -7.915 9.629 0.000) 12.464 5.437 ( 13.979 -10.172 0.000) 17.288 5.696 ( -7.650 -6.225 0.000) 9.863 5.770 ( 6.448 -0.926 0.000) 6.514 5.817 ( 2.638 -3.430 0.000) 4.327 6.140 ( 7.334 -8.927 0.000) 11.553 6.309 ( -5.466 -13.005 0.000) 14.107 7.547 ( 16.374 6.944 0.000) 17.786 7.904 ( -16.693 3.761 0.000) 17.112 8.301 ( 2.332 -2.011 0.000) 3.079 8.370 ( -4.507 0.043 0.000) 4.508 8.952 ( 6.807 3.084 0.000) 7.473 9.108 ( -7.666 1.492 0.000) 7.810 9.401 ( 2.422 -2.187 0.000) 3.263 9.443 ( -1.340 -2.021 0.000) 2.425 10.482 ( 1.464 -1.389 0.000) 2.018 10.514 ( -1.485 -1.244 0.000) 1.937 10.768 ( 1.144 -5.744 0.000) 5.857 10.782 ( -0.316 -4.995 0.000) 5.005 10.915 ( 1.907 -1.107 0.000) 2.205 10.949 ( -1.261 -1.849 0.000) 2.238 11.047 ( 5.532 3.644 0.000) 6.625 11.170 ( -5.687 -0.606 0.000) 5.720 11.255 ( 3.617 -7.988 0.000) 8.769 11.318 ( -2.748 -1.844 0.000) 3.310 11.461 ( 3.472 -0.301 0.000) 3.485 11.531 ( -3.021 1.517 0.000) 3.380 13.674 ( 6.704 11.017 0.000) 12.896 13.853 ( -11.041 17.180 0.000) 20.422 14.276 ( 0.833 -0.361 0.000) 0.908 14.295 ( -0.988 1.391 0.000) 1.706 22.552 ( 7.644 2.922 0.000) 8.184 22.701 ( -6.221 2.393 0.000) 6.666 23.021 ( 3.075 -0.992 0.000) 3.231 23.082 ( -2.661 -1.843 0.000) 3.236 23.536 ( 6.256 -0.794 0.000) 6.307 23.675 ( -6.655 0.668 0.000) 6.688 24.270 ( 8.137 -17.194 0.000) 19.022 24.346 ( -0.934 -6.478 0.000) 6.545 25.082 ( 3.375 0.368 0.000) 3.395 25.146 ( -2.553 0.487 0.000) 2.599 25.576 ( 6.647 -15.267 0.000) 16.651 25.704 ( -5.571 -14.390 0.000) 15.431 26.245 ( 4.485 3.105 0.000) 5.455 26.359 ( -6.610 5.642 0.000) 8.691 26.469 ( 4.042 8.690 0.000) 9.584 26.577 ( -6.502 11.411 0.000) 13.134 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 22.470 0.000) 22.470 0.945 ( 0.000 23.874 0.000) 23.874 1.213 ( 0.000 10.198 0.000) 10.198 1.318 ( 0.000 8.840 0.000) 8.840 1.595 ( 0.000 28.583 0.000) 28.583 1.625 ( 0.000 12.850 0.000) 12.850 1.785 ( 0.000 7.139 0.000) 7.139 2.114 ( 0.000 -13.964 0.000) 13.964 2.184 ( 0.000 -4.228 0.000) 4.228 2.274 ( 0.000 -20.562 0.000) 20.562 2.369 ( 0.000 20.647 0.000) 20.647 2.373 ( 0.000 3.951 0.000) 3.951 2.782 ( 0.000 -0.116 0.000) 0.116 2.834 ( 0.000 -14.376 0.000) 14.376 2.846 ( 0.000 -13.069 0.000) 13.069 3.023 ( 0.000 -4.194 0.000) 4.194 3.165 ( 0.000 -0.633 0.000) 0.633 3.680 ( 0.000 -6.739 0.000) 6.739 3.784 ( 0.000 3.444 0.000) 3.444 3.931 ( 0.000 1.612 0.000) 1.612 4.254 ( 0.000 -19.038 0.000) 19.038 4.329 ( 0.000 10.777 0.000) 10.777 4.417 ( 0.000 -10.314 0.000) 10.314 4.658 ( 0.000 5.832 0.000) 5.832 4.874 ( 0.000 -10.889 0.000) 10.889 5.232 ( 0.000 10.413 0.000) 10.413 5.280 ( 0.000 -9.402 0.000) 9.402 5.358 ( 0.000 16.135 0.000) 16.135 5.502 ( 0.000 6.621 0.000) 6.621 5.719 ( 0.000 1.221 0.000) 1.221 5.929 ( 0.000 -1.897 0.000) 1.897 5.968 ( 0.000 -10.496 0.000) 10.496 7.410 ( 0.000 14.703 0.000) 14.703 8.155 ( 0.000 -7.342 0.000) 7.342 8.354 ( 0.000 3.642 0.000) 3.642 8.602 ( 0.000 -4.401 0.000) 4.401 9.011 ( 0.000 4.839 0.000) 4.839 9.275 ( 0.000 -3.594 0.000) 3.594 9.330 ( 0.000 -0.102 0.000) 0.102 9.397 ( 0.000 -1.813 0.000) 1.813 10.483 ( 0.000 1.061 0.000) 1.061 10.530 ( 0.000 -0.978 0.000) 0.978 10.566 ( 0.000 -1.485 0.000) 1.485 10.671 ( 0.000 -6.097 0.000) 6.097 10.883 ( 0.000 1.381 0.000) 1.381 10.922 ( 0.000 3.795 0.000) 3.795 10.956 ( 0.000 0.220 0.000) 0.220 11.031 ( 0.000 -0.533 0.000) 0.533 11.138 ( 0.000 -7.015 0.000) 7.015 11.292 ( 0.000 -4.606 0.000) 4.606 11.534 ( 0.000 5.850 0.000) 5.850 11.648 ( 0.000 1.633 0.000) 1.633 13.710 ( 0.000 10.595 0.000) 10.595 14.193 ( 0.000 -4.548 0.000) 4.548 14.401 ( 0.000 5.421 0.000) 5.421 14.760 ( 0.000 -5.023 0.000) 5.023 22.403 ( 0.000 3.987 0.000) 3.987 22.678 ( 0.000 -3.969 0.000) 3.969 22.887 ( 0.000 0.668 0.000) 0.668 22.908 ( 0.000 0.238 0.000) 0.238 23.240 ( 0.000 2.920 0.000) 2.920 23.452 ( 0.000 -3.153 0.000) 3.153 23.906 ( 0.000 4.605 0.000) 4.605 24.280 ( 0.000 -4.586 0.000) 4.586 25.035 ( 0.000 2.329 0.000) 2.329 25.213 ( 0.000 1.225 0.000) 1.225 25.278 ( 0.000 -5.312 0.000) 5.312 25.575 ( 0.000 -13.047 0.000) 13.047 26.230 ( 0.000 6.509 0.000) 6.509 26.473 ( 0.000 1.449 0.000) 1.449 26.675 ( 0.000 6.697 0.000) 6.697 27.020 ( 0.000 -3.808 0.000) 3.808 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -5.176 21.728 0.000) 22.336 0.922 ( 2.914 19.876 0.000) 20.089 1.147 ( -2.914 10.640 0.000) 11.031 1.385 ( 4.152 5.861 0.000) 7.182 1.542 ( -5.908 9.417 0.000) 11.117 1.750 ( -6.233 8.534 0.000) 10.568 1.882 ( 17.500 13.983 0.000) 22.400 2.111 ( -1.499 -12.038 0.000) 12.131 2.169 ( -3.678 -2.476 0.000) 4.434 2.193 ( -3.883 -17.349 0.000) 17.778 2.353 ( 7.362 -10.043 0.000) 12.453 2.594 ( 0.845 -2.605 0.000) 2.738 2.753 ( 4.065 -1.125 0.000) 4.218 2.761 ( 6.051 -1.827 0.000) 6.321 3.047 ( 9.124 -2.077 0.000) 9.357 3.135 ( -0.534 -1.289 0.000) 1.395 3.261 ( 14.858 4.962 0.000) 15.664 3.649 ( 2.857 0.276 0.000) 2.870 3.738 ( -12.894 8.890 0.000) 15.662 3.977 ( 12.776 -1.201 0.000) 12.832 4.209 ( -3.923 -8.821 0.000) 9.654 4.296 ( -4.049 8.979 0.000) 9.850 4.412 ( -3.364 -7.453 0.000) 8.177 4.622 ( -2.546 -0.274 0.000) 2.560 4.937 ( 6.794 -11.320 0.000) 13.202 5.057 ( -12.889 6.629 0.000) 14.494 5.186 ( -12.304 13.609 0.000) 18.346 5.467 ( 8.292 -0.678 0.000) 8.320 5.567 ( 10.615 0.731 0.000) 10.640 5.755 ( -2.063 -3.534 0.000) 4.092 5.932 ( -2.002 -10.386 0.000) 10.577 6.012 ( 5.173 -8.569 0.000) 10.009 7.498 ( 7.954 13.583 0.000) 15.740 8.174 ( 1.805 -6.707 0.000) 6.946 8.260 ( -9.100 3.771 0.000) 9.850 8.504 ( -8.242 -3.167 0.000) 8.830 8.980 ( -0.177 6.681 0.000) 6.684 9.269 ( -4.784 1.089 0.000) 4.907 9.293 ( 1.693 -3.832 0.000) 4.190 9.406 ( 0.002 -2.663 0.000) 2.663 10.458 ( -0.676 1.070 0.000) 1.266 10.518 ( -1.109 -0.984 0.000) 1.482 10.624 ( 2.734 -3.895 0.000) 4.759 10.671 ( 0.042 -6.079 0.000) 6.079 10.885 ( 0.617 1.023 0.000) 1.195 10.949 ( -0.614 0.109 0.000) 0.623 11.023 ( 8.041 2.598 0.000) 8.451 11.035 ( 0.500 -1.428 0.000) 1.513 11.123 ( -1.422 -6.586 0.000) 6.738 11.335 ( 3.807 -3.972 0.000) 5.502 11.489 ( -4.127 5.628 0.000) 6.979 11.620 ( -2.616 1.096 0.000) 2.837 13.761 ( 4.765 10.806 0.000) 11.810 14.210 ( 1.642 -3.759 0.000) 4.102 14.369 ( -3.399 4.520 0.000) 5.655 14.516 ( -17.258 5.213 0.000) 18.029 22.478 ( 6.573 4.911 0.000) 8.204 22.844 ( -2.874 2.101 0.000) 3.561 22.940 ( 11.825 -11.210 0.000) 16.294 22.945 ( 2.166 -0.863 0.000) 2.332 23.337 ( 10.028 -0.120 0.000) 10.029 23.550 ( 12.027 -7.293 0.000) 14.066 23.851 ( -5.074 4.285 0.000) 6.641 24.261 ( -2.041 -6.021 0.000) 6.358 25.051 ( 1.618 2.230 0.000) 2.755 25.201 ( -1.147 1.255 0.000) 1.700 25.296 ( 1.756 -6.053 0.000) 6.303 25.538 ( -3.364 -12.489 0.000) 12.934 26.259 ( 2.767 6.246 0.000) 6.832 26.497 ( 2.365 1.620 0.000) 2.866 26.619 ( -5.191 6.636 0.000) 8.425 26.902 ( -9.183 0.232 0.000) 9.186 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 10.730 6.884 0.000) 12.748 0.972 ( 1.125 14.416 0.000) 14.460 1.142 ( 5.291 11.240 0.000) 12.423 1.439 ( 0.817 1.160 0.000) 1.419 1.447 ( -7.634 8.414 0.000) 11.361 1.467 ( -13.465 -2.095 0.000) 13.627 2.067 ( 0.054 -10.376 0.000) 10.376 2.072 ( -0.942 -10.010 0.000) 10.054 2.191 ( 3.628 -10.876 0.000) 11.465 2.193 ( 2.514 -11.065 0.000) 11.347 2.447 ( 3.084 -14.564 0.000) 14.887 2.516 ( -3.796 -16.720 0.000) 17.145 2.922 ( 7.087 7.309 0.000) 10.181 2.956 ( 6.388 9.346 0.000) 11.321 3.117 ( -0.144 3.771 0.000) 3.774 3.129 ( -0.286 4.206 0.000) 4.215 3.571 ( 8.903 16.784 0.000) 18.999 3.573 ( -0.269 16.100 0.000) 16.103 3.816 ( 12.321 4.448 0.000) 13.100 4.115 ( -13.131 7.138 0.000) 14.946 4.117 ( -0.011 -0.693 0.000) 0.693 4.259 ( -10.069 -0.342 0.000) 10.074 4.278 ( 13.600 -0.363 0.000) 13.605 4.525 ( -8.258 -2.671 0.000) 8.679 4.835 ( -5.216 10.182 0.000) 11.440 4.901 ( -10.601 12.210 0.000) 16.170 5.195 ( 16.581 -12.937 0.000) 21.031 5.538 ( -13.428 -9.302 0.000) 16.336 5.724 ( 7.210 -5.511 0.000) 9.076 5.735 ( 4.959 -2.369 0.000) 5.496 5.933 ( 2.700 -11.125 0.000) 11.448 6.037 ( -3.627 -13.493 0.000) 13.972 7.719 ( 12.558 10.074 0.000) 16.100 8.002 ( -13.991 6.048 0.000) 15.242 8.233 ( 3.840 -5.143 0.000) 6.419 8.340 ( -6.558 -3.222 0.000) 7.307 9.035 ( 4.756 5.152 0.000) 7.012 9.153 ( -5.985 3.043 0.000) 6.715 9.340 ( 2.494 -3.990 0.000) 4.705 9.387 ( -1.782 -3.588 0.000) 4.006 10.462 ( 0.909 -0.040 0.000) 0.910 10.489 ( -1.497 -0.802 0.000) 1.698 10.660 ( 0.953 -5.132 0.000) 5.220 10.671 ( -0.199 -5.837 0.000) 5.840 10.905 ( 1.200 0.267 0.000) 1.230 10.931 ( -1.128 -0.023 0.000) 1.128 11.053 ( 1.256 -3.351 0.000) 3.579 11.086 ( -1.814 -5.266 0.000) 5.570 11.205 ( 8.603 3.006 0.000) 9.113 11.370 ( -7.018 4.677 0.000) 8.434 11.435 ( 5.313 -2.298 0.000) 5.789 11.542 ( -4.658 -0.361 0.000) 4.672 13.906 ( 9.069 11.403 0.000) 14.569 14.144 ( -13.742 11.229 0.000) 17.746 14.259 ( 2.896 -1.583 0.000) 3.300 14.328 ( -3.681 1.600 0.000) 4.013 22.635 ( 7.467 5.538 0.000) 9.296 22.766 ( -4.851 4.121 0.000) 6.366 22.990 ( 2.029 -2.224 0.000) 3.011 23.021 ( -0.400 -4.627 0.000) 4.644 23.528 ( 8.391 0.373 0.000) 8.399 23.706 ( -8.263 2.883 0.000) 8.752 23.924 ( 17.184 -15.799 0.000) 23.343 24.173 ( -7.147 -10.573 0.000) 12.762 25.102 ( 3.034 1.703 0.000) 3.479 25.163 ( -2.490 1.341 0.000) 2.828 25.353 ( 3.718 -8.258 0.000) 9.056 25.447 ( -4.908 -10.918 0.000) 11.970 26.344 ( 5.355 6.275 0.000) 8.250 26.480 ( -7.269 6.693 0.000) 9.881 26.575 ( 5.212 2.137 0.000) 5.633 26.714 ( -7.987 2.605 0.000) 8.401 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 21.428 0.000) 21.428 1.364 ( 0.000 10.468 0.000) 10.468 1.413 ( 0.000 2.006 0.000) 2.006 1.425 ( 0.000 18.769 0.000) 18.769 1.689 ( 0.000 -13.992 0.000) 13.992 1.850 ( 0.000 -21.184 0.000) 21.184 1.941 ( 0.000 6.395 0.000) 6.395 1.945 ( 0.000 3.192 0.000) 3.192 2.057 ( 0.000 12.353 0.000) 12.353 2.135 ( 0.000 -0.676 0.000) 0.676 2.415 ( 0.000 2.082 0.000) 2.082 2.556 ( 0.000 -12.569 0.000) 12.569 2.654 ( 0.000 -2.986 0.000) 2.986 2.726 ( 0.000 -5.633 0.000) 5.633 2.757 ( 0.000 16.374 0.000) 16.374 2.943 ( 0.000 -4.682 0.000) 4.682 3.212 ( 0.000 7.137 0.000) 7.137 3.463 ( 0.000 -15.264 0.000) 15.264 3.851 ( 0.000 3.836 0.000) 3.836 3.966 ( 0.000 -9.416 0.000) 9.416 4.003 ( 0.000 6.330 0.000) 6.330 4.187 ( 0.000 -11.906 0.000) 11.906 4.527 ( 0.000 8.935 0.000) 8.935 4.689 ( 0.000 -8.355 0.000) 8.355 4.825 ( 0.000 11.076 0.000) 11.076 5.062 ( 0.000 -12.412 0.000) 12.412 5.452 ( 0.000 11.765 0.000) 11.765 5.639 ( 0.000 6.997 0.000) 6.997 5.646 ( 0.000 12.804 0.000) 12.804 5.661 ( 0.000 -7.992 0.000) 7.992 5.775 ( 0.000 -7.954 0.000) 7.954 5.843 ( 0.000 -7.228 0.000) 7.228 7.705 ( 0.000 14.856 0.000) 14.856 7.968 ( 0.000 -11.792 0.000) 11.792 8.432 ( 0.000 4.217 0.000) 4.217 8.516 ( 0.000 -4.387 0.000) 4.387 9.105 ( 0.000 4.785 0.000) 4.785 9.196 ( 0.000 -4.433 0.000) 4.433 9.337 ( 0.000 0.850 0.000) 0.850 9.362 ( 0.000 -1.659 0.000) 1.659 10.507 ( 0.000 1.376 0.000) 1.376 10.525 ( 0.000 0.820 0.000) 0.820 10.536 ( 0.000 -1.564 0.000) 1.564 10.570 ( 0.000 -3.862 0.000) 3.862 10.916 ( 0.000 1.855 0.000) 1.855 10.949 ( 0.000 -1.114 0.000) 1.114 10.975 ( 0.000 1.805 0.000) 1.805 11.031 ( 0.000 -4.051 0.000) 4.051 11.076 ( 0.000 5.135 0.000) 5.135 11.188 ( 0.000 -5.852 0.000) 5.852 11.624 ( 0.000 3.232 0.000) 3.232 11.660 ( 0.000 -0.527 0.000) 0.527 13.912 ( 0.000 9.685 0.000) 9.685 14.078 ( 0.000 -7.248 0.000) 7.248 14.519 ( 0.000 6.553 0.000) 6.553 14.648 ( 0.000 -6.380 0.000) 6.380 22.492 ( 0.000 4.961 0.000) 4.961 22.590 ( 0.000 -4.953 0.000) 4.953 22.900 ( 0.000 0.598 0.000) 0.598 22.909 ( 0.000 -0.215 0.000) 0.215 23.306 ( 0.000 3.769 0.000) 3.769 23.382 ( 0.000 -3.876 0.000) 3.876 24.022 ( 0.000 7.053 0.000) 7.053 24.164 ( 0.000 -7.068 0.000) 7.068 25.093 ( 0.000 3.660 0.000) 3.660 25.177 ( 0.000 -4.878 0.000) 4.878 25.257 ( 0.000 3.604 0.000) 3.604 25.367 ( 0.000 -8.074 0.000) 8.074 26.357 ( 0.000 6.116 0.000) 6.116 26.452 ( 0.000 -3.298 0.000) 3.298 26.808 ( 0.000 6.688 0.000) 6.688 26.928 ( 0.000 -5.509 0.000) 5.509 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -10.460 19.418 0.000) 22.056 1.316 ( -0.141 20.041 0.000) 20.041 1.386 ( -0.977 10.762 0.000) 10.806 1.443 ( -0.414 1.852 0.000) 1.898 1.640 ( -5.673 -7.404 0.000) 9.327 1.785 ( -4.179 -22.127 0.000) 22.519 1.885 ( -5.430 1.921 0.000) 5.760 1.998 ( 1.763 9.182 0.000) 9.350 2.031 ( 2.456 4.976 0.000) 5.549 2.069 ( -20.042 -4.936 0.000) 20.641 2.174 ( 0.424 -9.433 0.000) 9.443 2.318 ( -10.986 -16.647 0.000) 19.945 2.856 ( 18.218 9.161 0.000) 20.391 2.933 ( 7.875 10.150 0.000) 12.847 2.997 ( 14.771 -4.345 0.000) 15.397 3.080 ( 3.649 -4.936 0.000) 6.138 3.416 ( 19.749 10.243 0.000) 22.247 3.596 ( 11.518 -6.462 0.000) 13.207 3.923 ( -5.125 11.112 0.000) 12.237 3.969 ( 9.693 1.040 0.000) 9.748 4.043 ( 6.612 -6.876 0.000) 9.539 4.179 ( 0.145 -14.162 0.000) 14.163 4.461 ( -6.151 7.718 0.000) 9.870 4.600 ( -6.865 -5.686 0.000) 8.914 4.873 ( 3.669 6.286 0.000) 7.279 5.037 ( -2.861 -7.348 0.000) 7.885 5.436 ( -10.852 11.427 0.000) 15.759 5.525 ( 2.270 5.704 0.000) 6.139 5.645 ( -8.858 -6.833 0.000) 11.187 5.671 ( 2.231 9.006 0.000) 9.278 5.723 ( -0.209 -10.456 0.000) 10.458 5.852 ( 0.156 -8.700 0.000) 8.702 7.766 ( 5.522 13.428 0.000) 14.519 8.004 ( 3.292 -10.677 0.000) 11.173 8.341 ( -8.228 4.433 0.000) 9.346 8.428 ( -7.609 -4.365 0.000) 8.772 9.102 ( 0.461 5.819 0.000) 5.837 9.207 ( 1.227 -4.969 0.000) 5.118 9.301 ( -3.000 2.184 0.000) 3.711 9.351 ( -1.295 -2.848 0.000) 3.128 10.496 ( -0.506 2.660 0.000) 2.708 10.516 ( -0.764 1.171 0.000) 1.399 10.555 ( 0.951 -3.303 0.000) 3.438 10.569 ( -0.132 -4.155 0.000) 4.157 10.917 ( 0.302 2.199 0.000) 2.219 10.967 ( 0.674 -2.176 0.000) 2.278 10.967 ( -0.444 1.013 0.000) 1.106 11.021 ( -0.838 -3.856 0.000) 3.946 11.133 ( 5.665 5.740 0.000) 8.065 11.243 ( 4.923 -5.348 0.000) 7.269 11.579 ( -4.158 3.437 0.000) 5.394 11.622 ( -3.541 -0.989 0.000) 3.676 13.959 ( 4.457 9.187 0.000) 10.211 14.112 ( 3.169 -6.418 0.000) 7.158 14.460 ( -5.335 4.561 0.000) 7.019 14.532 ( -9.588 -2.267 0.000) 9.852 22.593 ( 8.304 6.855 0.000) 10.768 22.745 ( 10.992 -8.769 0.000) 14.061 22.886 ( -1.004 2.089 0.000) 2.317 22.922 ( 0.779 -1.540 0.000) 1.725 23.371 ( 6.665 3.057 0.000) 7.332 23.445 ( 6.683 -4.403 0.000) 8.003 23.965 ( -5.446 7.233 0.000) 9.054 24.119 ( -4.483 -8.144 0.000) 9.296 25.107 ( 1.376 3.558 0.000) 3.815 25.190 ( 1.234 -4.877 0.000) 5.031 25.243 ( -1.311 3.321 0.000) 3.570 25.344 ( -2.152 -7.387 0.000) 7.694 26.383 ( 2.591 6.038 0.000) 6.570 26.478 ( 2.525 -3.261 0.000) 4.125 26.749 ( -5.381 6.348 0.000) 8.322 26.855 ( -6.300 -4.346 0.000) 7.654 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 3.853 14.695 0.000) 15.192 1.275 ( -5.546 15.252 0.000) 16.229 1.373 ( 0.471 -5.944 0.000) 5.963 1.422 ( 0.996 13.173 0.000) 13.210 1.456 ( -8.165 -1.044 0.000) 8.232 1.595 ( -17.261 5.850 0.000) 18.225 1.758 ( 1.158 -18.186 0.000) 18.223 1.803 ( -3.318 -14.987 0.000) 15.350 2.078 ( 2.473 1.121 0.000) 2.715 2.090 ( 1.548 0.696 0.000) 1.697 2.201 ( 1.771 -9.829 0.000) 9.987 2.226 ( -0.907 -12.312 0.000) 12.346 3.058 ( 4.888 6.090 0.000) 7.809 3.109 ( 2.633 5.826 0.000) 6.394 3.138 ( 2.981 -1.694 0.000) 3.429 3.173 ( 1.833 -0.492 0.000) 1.898 3.834 ( 14.438 7.957 0.000) 16.485 3.889 ( 17.141 1.832 0.000) 17.239 3.911 ( 3.691 16.890 0.000) 17.289 4.122 ( 3.454 4.133 0.000) 5.386 4.167 ( -4.417 -8.807 0.000) 9.853 4.244 ( 11.494 -4.787 0.000) 12.451 4.263 ( -12.226 8.548 0.000) 14.918 4.444 ( -7.672 -7.891 0.000) 11.006 4.978 ( 1.041 3.801 0.000) 3.941 5.022 ( 11.139 -3.460 0.000) 11.664 5.134 ( -13.676 11.544 0.000) 17.897 5.348 ( -17.041 -10.304 0.000) 19.914 5.654 ( 6.858 -0.007 0.000) 6.858 5.712 ( 0.877 1.324 0.000) 1.588 5.740 ( 1.302 -8.004 0.000) 8.109 5.814 ( -4.130 -8.884 0.000) 9.797 7.919 ( 8.829 10.126 0.000) 13.435 8.101 ( 5.899 -8.240 0.000) 10.134 8.128 ( -10.851 6.623 0.000) 12.713 8.251 ( -8.301 -5.688 0.000) 10.063 9.142 ( 3.274 5.655 0.000) 6.535 9.224 ( -4.114 4.138 0.000) 5.835 9.249 ( 2.669 -5.177 0.000) 5.824 9.308 ( -2.673 -4.354 0.000) 5.109 10.491 ( 0.062 2.903 0.000) 2.904 10.499 ( -0.723 2.064 0.000) 2.187 10.566 ( 0.151 -4.506 0.000) 4.509 10.567 ( -0.048 -4.626 0.000) 4.626 10.928 ( 0.796 2.076 0.000) 2.223 10.948 ( -1.027 1.821 0.000) 2.091 10.982 ( 0.696 -3.364 0.000) 3.435 11.000 ( -1.009 -3.518 0.000) 3.660 11.289 ( 8.373 4.712 0.000) 9.607 11.374 ( 7.055 -3.850 0.000) 8.037 11.457 ( -7.249 3.923 0.000) 8.243 11.517 ( -6.222 -2.204 0.000) 6.601 14.093 ( 8.174 7.642 0.000) 11.189 14.206 ( 5.646 -4.066 0.000) 6.958 14.292 ( -10.360 4.617 0.000) 11.342 14.341 ( -7.213 -0.629 0.000) 7.240 22.762 ( 6.480 7.210 0.000) 9.694 22.852 ( -2.546 4.526 0.000) 5.193 22.904 ( 3.658 -7.038 0.000) 7.932 22.933 ( 0.056 -3.622 0.000) 3.622 23.566 ( 11.010 3.780 0.000) 11.640 23.686 ( 14.761 -8.854 0.000) 17.212 23.798 ( -10.193 6.647 0.000) 12.168 23.964 ( -10.606 -10.164 0.000) 14.690 25.149 ( 2.490 3.163 0.000) 4.025 25.203 ( -2.416 2.920 0.000) 3.790 25.228 ( 2.363 -5.023 0.000) 5.551 25.286 ( -3.051 -5.914 0.000) 6.654 26.468 ( 5.533 6.009 0.000) 8.168 26.562 ( 5.506 -3.164 0.000) 6.350 26.608 ( -7.347 6.071 0.000) 9.530 26.702 ( -7.568 -3.221 0.000) 8.225 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 0.000 18.220) 18.220 0.482 ( 0.000 0.000 23.962) 23.962 0.560 ( 0.000 0.000 29.616) 29.616 1.220 ( 0.000 0.000 22.307) 22.307 1.244 ( 0.000 0.000 -1.215) 1.215 1.283 ( 0.000 0.000 0.817) 0.817 1.868 ( 0.000 0.000 4.691) 4.691 1.887 ( 0.000 0.000 0.480) 0.480 2.245 ( 0.000 0.000 5.077) 5.077 2.389 ( 0.000 0.000 -1.553) 1.553 2.397 ( 0.000 0.000 7.224) 7.224 2.628 ( 0.000 0.000 -0.876) 0.876 2.780 ( 0.000 0.000 5.082) 5.082 2.935 ( 0.000 0.000 -4.069) 4.069 3.199 ( 0.000 0.000 0.106) 0.106 3.251 ( 0.000 0.000 9.555) 9.555 3.275 ( 0.000 0.000 5.081) 5.081 3.668 ( 0.000 0.000 -4.391) 4.391 3.697 ( 0.000 0.000 2.887) 2.887 3.997 ( 0.000 0.000 -2.419) 2.419 4.349 ( 0.000 0.000 3.542) 3.542 4.579 ( 0.000 0.000 0.113) 0.113 4.598 ( 0.000 0.000 -0.812) 0.812 4.859 ( 0.000 0.000 -2.488) 2.488 4.934 ( 0.000 0.000 -5.544) 5.544 5.149 ( 0.000 0.000 -7.988) 7.988 5.274 ( 0.000 0.000 -6.167) 6.167 5.369 ( 0.000 0.000 -0.850) 0.850 5.411 ( 0.000 0.000 -1.292) 1.292 5.560 ( 0.000 0.000 0.095) 0.095 5.984 ( 0.000 0.000 4.403) 4.403 6.174 ( 0.000 0.000 -8.741) 8.741 7.052 ( 0.000 0.000 -0.543) 0.543 8.032 ( 0.000 0.000 -16.446) 16.446 8.334 ( 0.000 0.000 -9.941) 9.941 8.368 ( 0.000 0.000 1.075) 1.075 8.814 ( 0.000 0.000 7.454) 7.454 9.285 ( 0.000 0.000 -2.061) 2.061 9.429 ( 0.000 0.000 -1.033) 1.033 9.448 ( 0.000 0.000 5.898) 5.898 10.471 ( 0.000 0.000 0.992) 0.992 10.601 ( 0.000 0.000 0.112) 0.112 10.727 ( 0.000 0.000 -5.772) 5.772 10.834 ( 0.000 0.000 0.359) 0.359 10.873 ( 0.000 0.000 4.588) 4.588 11.008 ( 0.000 0.000 -0.065) 0.065 11.012 ( 0.000 0.000 6.909) 6.909 11.076 ( 0.000 0.000 1.493) 1.493 11.316 ( 0.000 0.000 -3.564) 3.564 11.333 ( 0.000 0.000 0.746) 0.746 11.592 ( 0.000 0.000 3.395) 3.395 11.918 ( 0.000 0.000 -2.741) 2.741 13.481 ( 0.000 0.000 3.765) 3.765 13.734 ( 0.000 0.000 1.550) 1.550 14.193 ( 0.000 0.000 -4.707) 4.707 14.343 ( 0.000 0.000 1.976) 1.976 22.333 ( 0.000 0.000 1.334) 1.334 22.770 ( 0.000 0.000 0.859) 0.859 22.915 ( 0.000 0.000 3.938) 3.938 23.107 ( 0.000 0.000 -4.598) 4.598 23.450 ( 0.000 0.000 8.804) 8.804 23.516 ( 0.000 0.000 -0.034) 0.034 24.334 ( 0.000 0.000 -2.556) 2.556 24.343 ( 0.000 0.000 -1.777) 1.777 25.038 ( 0.000 0.000 4.552) 4.552 25.401 ( 0.000 0.000 -0.766) 0.766 25.795 ( 0.000 0.000 -0.316) 0.316 26.037 ( 0.000 0.000 -1.107) 1.107 26.080 ( 0.000 0.000 0.346) 0.346 26.292 ( 0.000 0.000 1.742) 1.742 26.492 ( 0.000 0.000 -2.116) 2.116 26.503 ( 0.000 0.000 0.246) 0.246 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 16.225 0.000 10.535) 19.345 0.714 ( 16.989 0.000 15.541) 23.025 1.180 ( 30.393 0.000 13.445) 33.234 1.204 ( 6.187 0.000 19.555) 20.510 1.275 ( -0.740 0.000 0.465) 0.874 1.304 ( 5.194 0.000 -0.781) 5.253 1.889 ( -2.093 0.000 2.187) 3.027 1.962 ( 11.915 0.000 8.168) 14.445 2.386 ( 10.931 0.000 1.367) 11.016 2.402 ( 4.440 0.000 0.148) 4.442 2.586 ( -3.088 0.000 -0.409) 3.115 2.632 ( 6.437 0.000 -7.710) 10.043 2.822 ( 3.370 0.000 4.679) 5.766 2.963 ( 1.641 0.000 -3.204) 3.600 3.158 ( -3.669 0.000 0.807) 3.757 3.165 ( -2.333 0.000 4.573) 5.134 3.322 ( -2.858 0.000 9.226) 9.659 3.599 ( -7.232 0.000 -3.690) 8.119 3.658 ( -4.367 0.000 2.339) 4.954 3.982 ( 1.566 0.000 -0.141) 1.572 4.105 ( -5.621 0.000 7.102) 9.057 4.434 ( -10.330 0.000 1.290) 10.410 4.520 ( -14.079 0.000 2.426) 14.287 4.674 ( -11.855 0.000 -3.603) 12.390 4.767 ( -12.553 0.000 -2.461) 12.792 4.933 ( -15.283 0.000 6.307) 16.533 5.282 ( 7.937 0.000 -4.276) 9.015 5.549 ( 10.280 0.000 -2.683) 10.624 5.566 ( 17.449 0.000 -6.761) 18.713 5.716 ( 9.157 0.000 -1.553) 9.288 6.099 ( -2.858 0.000 -7.127) 7.679 6.353 ( 7.762 0.000 -14.938) 16.834 7.150 ( 9.547 0.000 -1.341) 9.640 7.993 ( -4.858 0.000 -14.663) 15.447 8.277 ( -3.636 0.000 -6.634) 7.565 8.349 ( -2.090 0.000 -2.890) 3.566 8.863 ( 4.475 0.000 7.125) 8.414 9.266 ( -3.061 0.000 0.191) 3.067 9.403 ( -0.182 0.000 1.367) 1.379 9.493 ( 1.329 0.000 2.982) 3.265 10.386 ( -2.660 0.000 -2.478) 3.636 10.534 ( -2.897 0.000 -2.407) 3.766 10.800 ( 2.168 0.000 -1.794) 2.814 10.872 ( 1.956 0.000 -0.648) 2.060 10.912 ( 3.648 0.000 4.163) 5.535 10.947 ( -0.794 0.000 5.071) 5.132 11.033 ( -0.505 0.000 2.174) 2.232 11.215 ( 7.926 0.000 -2.316) 8.257 11.284 ( -4.443 0.000 0.907) 4.535 11.349 ( 2.945 0.000 -2.737) 4.020 11.572 ( -1.958 0.000 2.814) 3.428 11.694 ( -12.432 0.000 7.783) 14.668 13.508 ( 2.502 0.000 3.346) 4.178 13.712 ( -1.991 0.000 1.607) 2.559 14.208 ( 1.391 0.000 -3.913) 4.153 14.329 ( -1.276 0.000 1.443) 1.926 22.387 ( 4.937 0.000 0.819) 5.004 22.790 ( -4.611 0.000 -0.606) 4.651 22.941 ( 5.535 0.000 -0.092) 5.536 23.166 ( 0.564 0.000 -0.684) 0.886 23.482 ( 2.701 0.000 3.794) 4.657 23.651 ( 5.649 0.000 -5.537) 7.910 24.310 ( 0.800 0.000 -4.677) 4.745 24.394 ( 1.555 0.000 -4.082) 4.368 25.064 ( 2.366 0.000 4.441) 5.032 25.322 ( -5.480 0.000 5.059) 7.458 25.806 ( 0.973 0.000 -0.289) 1.015 25.961 ( -3.950 0.000 -0.331) 3.964 26.171 ( 5.420 0.000 -0.586) 5.451 26.283 ( -0.805 0.000 1.693) 1.875 26.355 ( -6.513 0.000 5.747) 8.686 26.465 ( -2.523 0.000 -1.981) 3.208 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 13.297 0.000 14.089) 19.373 1.034 ( 11.835 0.000 7.780) 14.164 1.064 ( -8.844 0.000 17.900) 19.965 1.208 ( -5.462 0.000 2.858) 6.164 1.495 ( 12.312 0.000 0.027) 12.312 1.753 ( -10.527 0.000 2.224) 10.759 2.002 ( 34.380 0.000 -1.286) 34.404 2.306 ( 17.246 0.000 8.158) 19.078 2.433 ( 2.557 0.000 -1.155) 2.806 2.500 ( -3.549 0.000 -1.058) 3.704 2.549 ( -10.250 0.000 -5.756) 11.756 2.807 ( 19.510 0.000 2.626) 19.686 2.824 ( -19.089 0.000 -2.654) 19.273 2.904 ( 3.929 0.000 4.683) 6.113 3.078 ( -1.448 0.000 1.098) 1.817 3.175 ( 2.341 0.000 6.985) 7.367 3.220 ( -1.307 0.000 7.839) 7.947 3.337 ( -17.579 0.000 -1.869) 17.678 3.695 ( 4.966 0.000 2.577) 5.595 3.837 ( -9.142 0.000 1.364) 9.243 4.116 ( -1.628 0.000 4.476) 4.763 4.224 ( -11.004 0.000 2.485) 11.281 4.388 ( 10.681 0.000 2.731) 11.025 4.499 ( -3.385 0.000 -3.463) 4.843 4.543 ( -7.220 0.000 -2.761) 7.730 4.662 ( -13.054 0.000 1.373) 13.126 5.513 ( 12.517 0.000 -3.438) 12.980 5.728 ( -4.852 0.000 -3.512) 5.990 5.743 ( 7.245 0.000 -3.122) 7.889 5.822 ( 0.358 0.000 -2.881) 2.903 6.133 ( 8.904 0.000 -8.823) 12.535 6.332 ( -7.240 0.000 -9.922) 12.283 7.436 ( 16.668 0.000 -4.059) 17.155 7.783 ( -14.764 0.000 -8.681) 17.127 8.247 ( 0.903 0.000 -6.951) 7.009 8.292 ( -2.888 0.000 -5.543) 6.250 8.990 ( 7.292 0.000 6.196) 9.569 9.149 ( -7.310 0.000 4.332) 8.498 9.435 ( 2.538 0.000 1.102) 2.767 9.485 ( -1.788 0.000 2.269) 2.889 10.397 ( 2.655 0.000 -6.335) 6.869 10.466 ( -3.537 0.000 -4.895) 6.039 10.839 ( 1.749 0.000 0.572) 1.841 10.872 ( -1.276 0.000 1.218) 1.764 10.972 ( 2.188 0.000 2.851) 3.594 11.012 ( -1.507 0.000 2.220) 2.683 11.020 ( 6.342 0.000 3.123) 7.069 11.161 ( -6.767 0.000 1.894) 7.027 11.355 ( 6.024 0.000 0.388) 6.037 11.427 ( 4.192 0.000 -1.044) 4.320 11.492 ( -7.515 0.000 4.941) 8.994 11.512 ( -3.638 0.000 1.125) 3.808 13.577 ( 3.746 0.000 2.521) 4.516 13.654 ( -3.427 0.000 1.890) 3.914 14.247 ( 2.151 0.000 -2.044) 2.967 14.292 ( -2.087 0.000 -0.028) 2.087 22.519 ( 7.098 0.000 -0.230) 7.102 22.666 ( -6.668 0.000 -0.782) 6.714 23.050 ( 4.659 0.000 1.525) 4.902 23.133 ( -3.056 0.000 2.195) 3.763 23.559 ( 4.465 0.000 1.687) 4.773 23.653 ( -3.672 0.000 -0.972) 3.798 24.353 ( 2.526 0.000 -5.258) 5.833 24.395 ( -1.207 0.000 -4.611) 4.766 25.130 ( 3.729 0.000 4.693) 5.995 25.216 ( -4.537 0.000 5.792) 7.357 25.836 ( 1.969 0.000 -0.229) 1.982 25.888 ( -2.992 0.000 -0.205) 2.999 26.270 ( -0.109 0.000 1.629) 1.633 26.284 ( -1.498 0.000 2.264) 2.714 26.286 ( 5.408 0.000 -1.125) 5.524 26.391 ( -4.435 0.000 -1.618) 4.721 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 14.659 9.374) 17.400 0.580 ( 0.000 18.552 9.660) 20.916 1.058 ( 0.000 29.307 19.530) 35.219 1.236 ( 0.000 3.437 15.140) 15.525 1.295 ( 0.000 6.442 -0.254) 6.447 1.416 ( 0.000 10.896 5.567) 12.236 1.817 ( 0.000 -0.761 8.443) 8.478 2.027 ( 0.000 13.534 0.505) 13.543 2.325 ( 0.000 -5.932 1.149) 6.042 2.333 ( 0.000 6.061 5.256) 8.023 2.356 ( 0.000 -4.596 5.841) 7.432 2.606 ( 0.000 -9.396 -3.024) 9.870 2.786 ( 0.000 0.444 3.333) 3.363 2.977 ( 0.000 1.885 -5.331) 5.655 3.099 ( 0.000 -9.217 1.727) 9.377 3.189 ( 0.000 -5.653 8.525) 10.229 3.247 ( 0.000 -2.478 4.361) 5.016 3.568 ( 0.000 -4.111 -4.959) 6.441 3.742 ( 0.000 3.856 3.000) 4.885 4.025 ( 0.000 -3.200 -2.979) 4.372 4.191 ( 0.000 -4.873 4.081) 6.356 4.557 ( 0.000 -4.429 -0.698) 4.483 4.588 ( 0.000 1.309 0.192) 1.323 4.964 ( 0.000 -24.625 15.768) 29.240 4.987 ( 0.000 3.434 -6.775) 7.595 5.035 ( 0.000 13.362 -1.628) 13.461 5.069 ( 0.000 -7.247 -3.057) 7.866 5.241 ( 0.000 -0.390 -10.330) 10.337 5.448 ( 0.000 1.860 -0.045) 1.860 5.646 ( 0.000 5.141 0.057) 5.141 5.982 ( 0.000 -0.347 3.670) 3.686 6.080 ( 0.000 -7.491 -7.021) 10.267 7.148 ( 0.000 9.290 -1.050) 9.349 8.027 ( 0.000 -0.755 -16.180) 16.197 8.365 ( 0.000 -0.303 0.746) 0.806 8.463 ( 0.000 4.520 -19.368) 19.889 8.864 ( 0.000 5.083 5.063) 7.175 9.273 ( 0.000 -1.265 -1.946) 2.321 9.422 ( 0.000 -0.633 -0.594) 0.868 9.436 ( 0.000 -1.165 5.855) 5.970 10.473 ( 0.000 0.309 0.841) 0.896 10.593 ( 0.000 -0.811 0.225) 0.842 10.659 ( 0.000 -5.773 -0.057) 5.773 10.786 ( 0.000 -4.853 0.124) 4.855 10.898 ( 0.000 2.369 4.200) 4.822 10.926 ( 0.000 -3.797 7.095) 8.047 10.972 ( 0.000 -1.982 0.324) 2.008 11.068 ( 0.000 -0.749 1.531) 1.705 11.291 ( 0.000 -3.410 -1.699) 3.810 11.415 ( 0.000 6.719 0.845) 6.772 11.455 ( 0.000 -11.699 5.906) 13.106 11.704 ( 0.000 -2.378 7.387) 7.761 13.569 ( 0.000 6.747 4.174) 7.934 14.188 ( 0.000 -0.840 -4.776) 4.850 14.303 ( 0.000 26.251 -27.132) 37.753 14.354 ( 0.000 1.424 1.681) 2.203 22.353 ( 0.000 2.128 1.269) 2.478 22.748 ( 0.000 -2.192 0.872) 2.359 22.919 ( 0.000 0.379 3.846) 3.864 23.030 ( 0.000 -5.725 -0.085) 5.725 23.426 ( 0.000 -1.473 14.036) 14.113 23.502 ( 0.000 -1.397 0.317) 1.433 24.083 ( 0.000 -13.019 13.376) 18.665 24.325 ( 0.000 -1.918 -1.774) 2.612 25.039 ( 0.000 0.465 4.465) 4.489 25.360 ( 0.000 -3.888 -0.746) 3.959 25.384 ( 0.000 -12.242 13.913) 18.532 25.890 ( 0.000 -11.954 3.384) 12.424 26.108 ( 0.000 4.068 -1.063) 4.205 26.356 ( 0.000 4.478 -3.350) 5.593 26.553 ( 0.000 5.048 -0.892) 5.126 26.853 ( 0.000 10.406 -13.911) 17.373 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.20 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 15.382 -0.764 13.853) 20.714 0.670 ( 10.912 13.935 7.652) 19.282 1.172 ( -3.308 1.444 11.278) 11.841 1.294 ( 7.190 6.244 7.256) 11.972 1.371 ( -0.987 9.200 3.323) 9.832 1.570 ( 25.239 20.469 6.727) 33.185 1.767 ( -3.435 -3.809 5.157) 7.274 2.134 ( 5.500 8.699 5.656) 11.744 2.336 ( 1.598 -5.880 0.214) 6.097 2.403 ( 4.525 -4.406 0.027) 6.316 2.499 ( 10.694 3.648 3.592) 11.857 2.629 ( 3.311 -8.567 0.874) 9.227 2.835 ( 1.558 -1.805 0.609) 2.461 2.976 ( -2.304 -3.701 -2.749) 5.154 3.051 ( -1.670 -2.193 0.605) 2.822 3.190 ( 1.193 -0.017 1.835) 2.189 3.270 ( -2.159 -4.556 6.620) 8.321 3.501 ( -5.552 -2.548 -2.271) 6.517 3.689 ( -3.202 2.186 2.808) 4.787 4.036 ( 7.260 0.590 0.879) 7.337 4.112 ( -5.491 4.168 0.254) 6.898 4.422 ( -10.649 -1.808 3.096) 11.237 4.488 ( -11.976 -1.438 2.531) 12.324 4.790 ( -7.429 -2.521 1.880) 8.067 4.822 ( -13.027 6.297 -0.496) 14.478 4.933 ( -13.473 9.729 0.679) 16.632 5.154 ( 9.306 -11.263 -3.340) 14.987 5.452 ( 16.515 -6.901 -8.145) 19.665 5.564 ( 10.154 -0.490 -1.919) 10.345 5.751 ( 5.149 1.331 -2.335) 5.809 6.033 ( -3.158 -6.472 -6.769) 9.884 6.195 ( 9.062 -10.861 -4.660) 14.893 7.244 ( 9.074 8.941 -1.821) 12.868 8.002 ( -3.486 0.493 -14.968) 15.377 8.300 ( -5.934 -0.042 -2.510) 6.443 8.373 ( -4.999 1.924 -10.709) 11.974 8.902 ( 3.819 3.951 6.069) 8.187 9.262 ( -2.236 -0.447 0.056) 2.281 9.389 ( -0.729 -1.307 2.010) 2.506 9.470 ( 1.018 -2.035 2.756) 3.574 10.399 ( -2.739 1.317 -1.836) 3.551 10.527 ( -2.791 -0.683 -2.039) 3.523 10.750 ( 2.565 -4.888 0.125) 5.521 10.802 ( 0.875 -5.822 0.871) 5.952 10.923 ( 1.596 -0.665 3.790) 4.166 10.947 ( 2.267 0.970 2.480) 3.497 11.016 ( 1.458 -0.414 3.206) 3.546 11.114 ( 4.933 -5.540 -0.472) 7.433 11.301 ( -0.361 -4.315 -0.171) 4.334 11.388 ( -0.979 5.209 1.369) 5.474 11.442 ( -1.208 -7.807 4.056) 8.881 11.656 ( -3.929 0.103 5.734) 6.952 13.599 ( 2.898 7.566 3.306) 8.751 14.071 ( -14.214 23.305 -10.075) 29.098 14.205 ( 1.491 -0.533 -4.051) 4.350 14.341 ( -1.457 1.540 0.999) 2.344 22.411 ( 5.178 2.450 0.734) 5.775 22.801 ( -3.519 1.069 -0.960) 3.801 22.930 ( 5.498 -1.241 -0.500) 5.659 23.114 ( 2.468 -5.035 -0.595) 5.639 23.470 ( 3.158 -1.057 5.521) 6.448 23.637 ( 7.998 -1.592 -3.333) 8.810 24.111 ( 4.282 -15.871 8.144) 18.345 24.333 ( 0.383 -3.250 -1.551) 3.622 25.065 ( 2.375 0.348 4.540) 5.136 25.284 ( -3.723 -2.738 5.668) 7.313 25.488 ( 6.115 -13.814 6.098) 16.291 25.842 ( -3.946 -11.147 3.236) 12.259 26.151 ( 3.373 2.504 -0.993) 4.317 26.354 ( -0.380 4.943 -4.351) 6.596 26.516 ( -3.182 5.512 0.465) 6.381 26.700 ( -9.798 13.545 -6.677) 18.002 ======================= Grid point 42 (18/72) ======================= q-point: ( 0.40 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 9.715 5.593 12.217) 16.581 1.001 ( 9.755 -4.032 11.910) 15.914 1.099 ( 2.221 5.100 10.261) 11.672 1.295 ( -5.784 7.693 2.876) 10.045 1.429 ( 6.770 -1.901 1.074) 7.113 1.624 ( -10.214 -9.745 2.062) 14.267 2.118 ( 19.490 5.389 0.636) 20.232 2.253 ( 3.955 -6.449 3.393) 8.292 2.399 ( 1.329 -5.591 0.227) 5.751 2.416 ( 5.580 -2.831 3.479) 7.159 2.653 ( -1.440 1.425 -1.819) 2.722 2.775 ( -5.187 -3.577 -1.096) 6.395 2.841 ( 10.891 -1.792 2.936) 11.421 2.907 ( -3.496 -9.984 3.811) 11.244 2.962 ( -1.816 9.686 -1.597) 9.983 3.150 ( -6.732 -3.544 5.324) 9.285 3.284 ( 5.745 7.480 1.493) 9.549 3.396 ( -4.072 8.431 3.625) 10.040 3.746 ( 6.380 4.030 1.904) 7.782 3.928 ( -10.397 6.823 -1.796) 12.565 4.148 ( -2.317 3.023 3.942) 5.481 4.232 ( -9.320 0.436 1.416) 9.437 4.352 ( 9.890 -2.217 3.337) 10.670 4.599 ( -7.651 5.884 -0.838) 9.688 4.627 ( -8.210 -0.052 0.190) 8.212 4.661 ( -8.612 10.431 -1.893) 13.659 5.414 ( 14.084 -9.417 -2.548) 17.133 5.659 ( -4.765 -6.362 -4.162) 8.972 5.737 ( 5.232 -1.242 -3.135) 6.224 5.787 ( 1.988 -3.563 -2.960) 5.041 6.047 ( 7.181 -8.093 -8.083) 13.506 6.221 ( -5.658 -10.089 -7.173) 13.611 7.507 ( 15.032 6.733 -4.196) 16.997 7.821 ( -13.447 3.658 -8.687) 16.422 8.233 ( 0.490 -1.701 -6.585) 6.819 8.284 ( -3.678 -0.971 -6.892) 7.872 9.015 ( 6.632 2.550 5.822) 9.186 9.160 ( -6.627 1.187 4.169) 7.919 9.414 ( 2.386 -2.066 1.224) 3.385 9.461 ( -1.678 -2.261 2.049) 3.482 10.400 ( 2.142 0.444 -5.107) 5.555 10.462 ( -3.337 -0.353 -4.172) 5.354 10.787 ( 1.329 -4.957 1.106) 5.250 10.806 ( -0.432 -5.695 1.461) 5.895 10.957 ( 1.578 -1.097 3.401) 3.907 10.981 ( -0.249 -1.615 2.850) 3.285 11.062 ( 4.341 2.178 1.209) 5.005 11.160 ( -3.053 -2.117 0.084) 3.716 11.292 ( 2.373 -4.218 1.914) 5.204 11.361 ( -3.034 -3.265 3.695) 5.789 11.464 ( 3.910 0.106 0.390) 3.931 11.561 ( -4.868 1.316 2.723) 5.731 13.689 ( 5.590 9.902 1.453) 11.463 13.835 ( -8.612 14.972 -1.380) 17.328 14.248 ( 2.403 -0.066 -2.172) 3.240 14.299 ( -2.383 0.726 -0.245) 2.503 22.547 ( 7.111 2.789 -0.351) 7.646 22.690 ( -6.294 2.367 -0.846) 6.777 23.037 ( 4.283 -1.460 1.064) 4.649 23.107 ( -2.271 -2.644 1.567) 3.822 23.556 ( 4.988 -0.136 2.227) 5.464 23.660 ( -3.937 0.917 -0.617) 4.089 24.243 ( 5.883 -11.435 -2.140) 13.037 24.322 ( -1.813 -6.042 -2.370) 6.739 25.130 ( 3.593 0.173 4.573) 5.818 25.207 ( -3.687 -0.559 5.128) 6.340 25.620 ( 6.229 -14.488 4.235) 16.329 25.742 ( -5.377 -12.301 3.445) 13.860 26.229 ( 3.901 2.413 -1.575) 4.850 26.313 ( -3.767 4.548 -3.771) 7.007 26.479 ( 1.081 7.734 0.447) 7.822 26.548 ( -5.010 10.238 -2.584) 11.688 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 22.147 -0.912) 22.166 0.985 ( 0.000 21.906 3.761) 22.226 1.343 ( 0.000 6.022 1.630) 6.239 1.349 ( 0.000 7.394 11.347) 13.543 1.643 ( 0.000 10.283 2.465) 10.574 1.713 ( 0.000 27.941 11.224) 30.111 1.877 ( 0.000 6.448 8.584) 10.736 2.145 ( 0.000 -11.216 3.283) 11.687 2.259 ( 0.000 -3.149 6.545) 7.264 2.302 ( 0.000 -18.908 1.958) 19.009 2.377 ( 0.000 19.594 1.219) 19.632 2.437 ( 0.000 3.340 5.468) 6.407 2.780 ( 0.000 -2.702 0.675) 2.785 2.873 ( 0.000 -10.618 1.343) 10.702 2.876 ( 0.000 -11.767 3.550) 12.291 3.049 ( 0.000 -6.954 2.951) 7.554 3.207 ( 0.000 -1.059 3.852) 3.995 3.615 ( 0.000 5.031 -5.456) 7.421 3.816 ( 0.000 -12.288 -3.855) 12.878 3.819 ( 0.000 3.688 3.567) 5.131 4.285 ( 0.000 7.234 -2.501) 7.654 4.416 ( 0.000 -10.024 -0.272) 10.028 4.507 ( 0.000 -14.880 12.680) 19.550 4.678 ( 0.000 3.192 3.176) 4.503 4.839 ( 0.000 -10.452 -3.320) 10.967 5.132 ( 0.000 3.589 -9.698) 10.341 5.223 ( 0.000 0.280 -4.588) 4.596 5.335 ( 0.000 15.440 -2.366) 15.621 5.500 ( 0.000 4.522 -0.820) 4.596 5.703 ( 0.000 -0.183 -1.990) 1.998 5.913 ( 0.000 -8.937 -5.311) 10.396 5.957 ( 0.000 -2.681 2.157) 3.441 7.380 ( 0.000 13.579 -2.506) 13.808 7.987 ( 0.000 -3.836 -14.074) 14.587 8.361 ( 0.000 0.093 -1.476) 1.479 8.469 ( 0.000 -2.141 -14.344) 14.503 8.980 ( 0.000 6.085 1.560) 6.282 9.237 ( 0.000 -2.435 -1.389) 2.804 9.407 ( 0.000 -0.828 0.594) 1.019 9.409 ( 0.000 -1.344 5.409) 5.573 10.486 ( 0.000 1.000 0.507) 1.121 10.568 ( 0.000 -3.081 1.747) 3.542 10.571 ( 0.000 -1.391 0.424) 1.454 10.672 ( 0.000 -5.975 0.137) 5.977 10.900 ( 0.000 0.212 2.230) 2.240 10.946 ( 0.000 0.424 -0.024) 0.424 10.964 ( 0.000 2.583 3.636) 4.460 11.056 ( 0.000 0.101 2.018) 2.020 11.177 ( 0.000 -6.805 2.732) 7.333 11.306 ( 0.000 -5.269 1.654) 5.522 11.547 ( 0.000 6.165 1.205) 6.281 11.700 ( 0.000 0.223 4.183) 4.189 13.730 ( 0.000 9.139 1.896) 9.334 14.147 ( 0.000 -3.517 -3.967) 5.302 14.405 ( 0.000 3.693 -0.124) 3.695 14.562 ( 0.000 4.177 -15.897) 16.437 22.414 ( 0.000 3.931 1.108) 4.084 22.687 ( 0.000 -3.956 0.901) 4.057 22.928 ( 0.000 0.452 3.430) 3.459 22.952 ( 0.000 -2.046 1.516) 2.546 23.408 ( 0.000 -0.461 14.031) 14.038 23.466 ( 0.000 -2.091 1.702) 2.696 23.977 ( 0.000 0.324 6.349) 6.358 24.265 ( 0.000 -4.263 -1.477) 4.512 25.062 ( 0.000 1.886 3.518) 3.992 25.269 ( 0.000 -4.962 -0.221) 4.967 25.288 ( 0.000 -0.650 6.785) 6.816 25.644 ( 0.000 -12.191 6.149) 13.654 26.214 ( 0.000 6.307 -1.471) 6.476 26.426 ( 0.000 2.074 -4.434) 4.895 26.657 ( 0.000 5.519 -1.776) 5.798 26.923 ( 0.000 -0.773 -8.393) 8.428 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.20 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -1.372 16.530 3.773) 17.010 1.008 ( 3.496 19.202 4.953) 20.136 1.269 ( -2.805 8.273 9.202) 12.688 1.412 ( 2.170 5.076 2.880) 6.227 1.558 ( -6.361 8.232 3.531) 10.986 1.799 ( -7.175 8.017 4.499) 11.661 1.930 ( 13.103 12.513 5.632) 18.974 2.130 ( -2.509 -10.334 2.052) 10.830 2.218 ( -1.345 -11.985 2.192) 12.258 2.260 ( -2.684 -4.393 7.563) 9.149 2.401 ( 5.322 -9.624 4.496) 11.881 2.626 ( 2.623 -1.904 3.152) 4.521 2.778 ( 4.916 0.019 1.893) 5.268 2.800 ( 3.895 -2.549 3.677) 5.932 3.047 ( 7.615 -2.220 0.827) 7.975 3.173 ( 2.860 -1.975 2.284) 4.159 3.242 ( 8.009 4.281 -1.951) 9.288 3.596 ( -1.086 8.706 -3.636) 9.497 3.712 ( -0.305 -0.122 1.263) 1.305 4.008 ( 10.946 -1.604 1.485) 11.162 4.239 ( -4.983 5.485 -2.775) 7.913 4.356 ( -6.429 -3.378 6.768) 9.927 4.437 ( -5.786 -7.824 3.091) 10.210 4.632 ( -2.506 -4.189 1.489) 5.104 4.919 ( 7.385 -9.857 -1.858) 12.456 5.019 ( -11.824 6.348 -3.416) 13.848 5.172 ( -8.155 11.893 -2.218) 14.590 5.382 ( 6.931 1.531 -7.119) 10.053 5.547 ( 8.621 -0.040 -2.118) 8.877 5.733 ( -1.254 -3.360 -2.479) 4.360 5.868 ( -2.899 -9.574 -6.060) 11.696 6.019 ( 3.048 -7.771 0.320) 8.353 7.463 ( 7.579 12.604 -3.103) 15.031 7.993 ( 0.056 -2.056 -13.841) 13.993 8.284 ( -7.178 -0.790 -1.672) 7.413 8.376 ( -6.771 -1.526 -11.947) 13.817 9.001 ( 2.457 5.691 3.658) 7.198 9.246 ( 0.182 -1.375 -0.426) 1.451 9.360 ( -2.397 -1.312 3.565) 4.492 9.425 ( -0.086 -2.437 2.323) 3.368 10.436 ( -2.390 2.479 -0.697) 3.514 10.512 ( -2.252 -0.622 -1.017) 2.548 10.648 ( 2.297 -4.838 1.454) 5.549 10.678 ( 0.497 -6.279 0.608) 6.328 10.912 ( 1.105 -0.000 2.419) 2.660 10.956 ( 0.722 0.068 0.821) 1.095 11.038 ( 3.557 -2.053 1.719) 4.452 11.055 ( 2.224 2.946 2.065) 4.230 11.171 ( -0.384 -6.380 3.623) 7.347 11.340 ( 3.383 -3.952 0.659) 5.244 11.508 ( -3.613 5.638 1.703) 6.910 11.663 ( -3.409 0.080 3.581) 4.944 13.773 ( 4.112 9.556 1.209) 10.473 14.171 ( 2.222 -2.957 -3.422) 5.039 14.353 ( -7.777 5.604 -4.040) 10.403 14.414 ( -8.095 5.847 -6.367) 11.843 22.481 ( 5.916 4.653 0.431) 7.538 22.816 ( 3.547 -1.111 -2.889) 4.708 22.888 ( 1.931 -2.035 0.343) 2.827 23.011 ( 2.689 -4.214 2.043) 5.400 23.453 ( 3.856 -0.394 7.515) 8.456 23.580 ( 10.691 -3.999 3.989) 12.092 23.936 ( -3.065 -1.644 7.151) 7.952 24.248 ( -1.865 -5.576 -1.264) 6.014 25.085 ( 2.087 1.705 3.825) 4.679 25.252 ( -1.485 -0.691 3.325) 3.706 25.315 ( 2.505 -5.570 3.691) 7.136 25.605 ( -3.605 -11.768 5.936) 13.664 26.243 ( 2.683 6.060 -1.515) 6.798 26.439 ( 1.068 2.975 -5.110) 6.008 26.615 ( -3.610 4.788 -0.758) 6.044 26.830 ( -7.447 1.456 -6.446) 9.956 ======================= Grid point 47 (21/72) ======================= q-point: ( 0.40 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 13.138 2.952 6.165) 14.810 1.077 ( 1.129 11.000 7.374) 13.291 1.249 ( 2.426 9.933 8.239) 13.131 1.415 ( -3.520 2.436 -0.088) 4.282 1.446 ( -3.059 -1.254 0.811) 3.405 1.537 ( -13.734 6.209 6.701) 16.495 2.078 ( 0.816 -10.322 1.694) 10.492 2.099 ( -0.703 -7.855 2.742) 8.350 2.236 ( 4.225 -9.978 3.972) 11.541 2.276 ( 1.115 -10.246 6.317) 12.088 2.480 ( 3.278 -12.895 3.091) 13.659 2.561 ( -4.345 -14.777 4.312) 15.995 2.930 ( 4.931 7.339 0.151) 8.843 2.942 ( 5.159 8.986 -0.041) 10.362 3.125 ( 0.160 2.962 0.797) 3.072 3.140 ( -2.156 3.610 1.190) 4.370 3.506 ( 13.223 15.049 -2.771) 20.224 3.644 ( 3.781 15.601 2.794) 16.294 3.823 ( 9.075 3.606 0.822) 9.800 4.053 ( -10.346 5.753 -3.984) 12.491 4.194 ( -6.236 -0.150 5.068) 8.037 4.230 ( -1.883 0.565 -1.165) 2.285 4.325 ( 6.136 -1.617 3.046) 7.039 4.539 ( -7.803 -3.922 1.451) 8.853 4.817 ( -4.201 10.460 -1.626) 11.388 4.899 ( -11.152 13.046 -0.452) 17.169 5.192 ( 16.258 -11.678 -0.460) 20.023 5.508 ( -9.652 -8.206 -3.497) 13.143 5.677 ( 5.368 -5.776 -4.435) 9.047 5.704 ( 4.949 -3.262 -2.979) 6.633 5.858 ( 2.840 -10.332 -6.863) 12.724 5.996 ( -5.819 -11.973 -3.619) 13.795 7.672 ( 11.711 9.603 -4.646) 15.842 7.913 ( -9.478 5.359 -8.974) 14.110 8.174 ( 0.038 -4.320 -5.629) 7.096 8.246 ( -5.421 -3.105 -8.255) 10.352 9.084 ( 5.099 4.264 4.689) 8.134 9.195 ( -4.851 2.333 3.517) 6.430 9.357 ( 1.952 -3.634 1.709) 4.465 9.403 ( -1.885 -3.532 1.795) 4.388 10.422 ( 0.869 1.981 -2.525) 3.325 10.460 ( -2.471 0.491 -2.293) 3.406 10.675 ( 0.748 -5.867 1.091) 6.014 10.684 ( -0.055 -6.292 1.117) 6.390 10.940 ( 1.408 -0.319 2.961) 3.294 10.962 ( -0.427 -0.249 2.734) 2.778 11.053 ( 1.345 -2.920 0.041) 3.215 11.094 ( -1.804 -3.932 0.952) 4.429 11.246 ( 7.310 1.485 3.319) 8.165 11.392 ( -5.267 3.452 1.461) 6.464 11.449 ( 4.550 -1.402 1.823) 5.098 11.566 ( -5.523 -0.652 2.253) 6.000 13.900 ( 7.915 10.538 -0.556) 13.191 14.105 ( -11.615 11.106 -3.567) 16.462 14.235 ( 3.652 -1.449 -2.191) 4.499 14.317 ( -4.007 0.835 -1.173) 4.258 22.626 ( 7.034 5.225 -0.743) 8.794 22.755 ( -5.139 4.193 -0.953) 6.701 22.988 ( 3.683 -3.858 -0.585) 5.365 23.033 ( -0.665 -4.587 0.823) 4.708 23.565 ( 6.629 1.379 3.568) 7.653 23.697 ( -3.886 3.044 0.395) 4.952 23.988 ( 9.814 -12.690 4.678) 16.711 24.170 ( -6.125 -9.259 -0.377) 11.108 25.143 ( 3.226 1.299 4.091) 5.370 25.208 ( -2.724 0.791 4.035) 4.932 25.393 ( 4.806 -8.769 4.219) 10.853 25.505 ( -5.530 -10.775 5.356) 13.242 26.322 ( 4.761 6.216 -2.112) 8.110 26.426 ( -3.915 6.438 -4.693) 8.877 26.573 ( 1.906 1.977 -0.637) 2.819 26.673 ( -6.662 2.509 -3.738) 8.041 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 21.058 -2.817) 21.245 1.370 ( 0.000 12.850 0.276) 12.853 1.432 ( 0.000 2.525 1.670) 3.027 1.521 ( 0.000 13.368 9.047) 16.142 1.643 ( 0.000 -12.899 -3.879) 13.469 1.896 ( 0.000 -20.288 4.695) 20.824 2.025 ( 0.000 5.655 8.036) 9.826 2.035 ( 0.000 1.905 8.419) 8.632 2.139 ( 0.000 11.949 7.354) 14.031 2.226 ( 0.000 -0.137 8.316) 8.317 2.464 ( 0.000 0.907 4.492) 4.583 2.580 ( 0.000 -11.617 2.260) 11.835 2.708 ( 0.000 -2.853 4.681) 5.482 2.744 ( 0.000 7.283 1.127) 7.370 2.771 ( 0.000 4.168 2.159) 4.694 2.941 ( 0.000 -5.074 0.061) 5.075 3.237 ( 0.000 5.808 2.325) 6.256 3.472 ( 0.000 -15.759 0.766) 15.777 3.797 ( 0.000 6.571 -6.608) 9.319 3.870 ( 0.000 0.576 2.287) 2.358 4.201 ( 0.000 -7.597 8.739) 11.580 4.208 ( 0.000 -8.578 1.524) 8.713 4.508 ( 0.000 8.062 -1.134) 8.142 4.662 ( 0.000 -8.012 -2.446) 8.378 4.814 ( 0.000 9.569 -0.831) 9.605 5.017 ( 0.000 -10.150 -4.398) 11.062 5.376 ( 0.000 10.683 -6.940) 12.739 5.550 ( 0.000 -1.222 -7.924) 8.018 5.612 ( 0.000 5.952 -2.430) 6.429 5.653 ( 0.000 1.312 -1.647) 2.105 5.782 ( 0.000 -2.974 -0.316) 2.991 5.865 ( 0.000 -6.758 1.295) 6.881 7.646 ( 0.000 12.979 -5.239) 13.996 7.863 ( 0.000 -8.965 -9.493) 13.057 8.376 ( 0.000 1.514 -6.071) 6.257 8.418 ( 0.000 -2.646 -10.360) 10.692 9.089 ( 0.000 5.086 0.690) 5.133 9.176 ( 0.000 -3.787 -0.261) 3.796 9.391 ( 0.000 -0.398 4.067) 4.087 9.393 ( 0.000 -0.520 2.264) 2.323 10.511 ( 0.000 1.437 0.408) 1.494 10.540 ( 0.000 0.190 1.087) 1.104 10.541 ( 0.000 -1.616 0.488) 1.688 10.576 ( 0.000 -3.522 0.537) 3.563 10.916 ( 0.000 1.215 0.321) 1.257 10.939 ( 0.000 -0.873 -0.578) 1.047 11.011 ( 0.000 1.969 3.484) 4.002 11.068 ( 0.000 -4.175 3.348) 5.352 11.102 ( 0.000 4.543 2.206) 5.050 11.204 ( 0.000 -5.386 1.506) 5.592 11.644 ( 0.000 3.714 1.811) 4.132 11.692 ( 0.000 -1.284 2.731) 3.018 13.905 ( 0.000 8.474 -0.583) 8.494 14.051 ( 0.000 -6.303 -2.514) 6.785 14.488 ( 0.000 4.493 -3.112) 5.466 14.563 ( 0.000 -2.713 -7.638) 8.105 22.501 ( 0.000 4.935 0.994) 5.034 22.599 ( 0.000 -4.939 0.936) 5.027 22.934 ( 0.000 0.146 2.482) 2.487 22.935 ( 0.000 -0.151 1.485) 1.493 23.407 ( 0.000 0.463 9.583) 9.594 23.428 ( 0.000 -1.637 4.819) 5.090 24.042 ( 0.000 5.451 1.874) 5.764 24.161 ( 0.000 -6.170 -0.335) 6.179 25.110 ( 0.000 2.991 2.402) 3.836 25.179 ( 0.000 -4.100 1.001) 4.221 25.320 ( 0.000 3.839 5.704) 6.876 25.440 ( 0.000 -8.453 6.390) 10.597 26.336 ( 0.000 5.727 -2.026) 6.074 26.421 ( 0.000 -2.607 -3.053) 4.014 26.768 ( 0.000 5.672 -3.826) 6.842 26.868 ( 0.000 -4.312 -5.620) 7.083 ======================= Grid point 51 (23/72) ======================= q-point: ( 0.20 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.001 19.055 -1.972) 20.761 1.365 ( -1.549 13.848 2.166) 14.101 1.424 ( -1.563 -1.586 -0.160) 2.233 1.502 ( -1.660 13.533 7.296) 15.464 1.608 ( -3.724 -6.654 0.140) 7.627 1.852 ( -3.153 -18.258 4.606) 19.093 1.953 ( -7.793 3.947 5.568) 10.360 2.060 ( 2.060 5.440 6.370) 8.626 2.080 ( -12.217 4.357 4.671) 13.786 2.134 ( -4.164 -4.510 6.775) 9.142 2.250 ( -3.156 -7.735 6.941) 10.861 2.373 ( -8.197 -15.273 5.569) 18.206 2.875 ( 14.706 7.584 1.838) 16.648 2.950 ( 9.313 9.199 1.534) 13.180 2.994 ( 11.296 -3.228 0.396) 11.755 3.103 ( 5.858 -5.535 1.514) 8.200 3.407 ( 17.115 11.168 -1.185) 20.471 3.607 ( 11.035 -7.577 0.876) 13.415 3.830 ( 3.430 11.510 -3.274) 12.448 3.988 ( 10.281 -1.778 1.621) 10.559 4.179 ( -0.779 -6.248 7.986) 10.170 4.210 ( 0.570 -10.651 2.424) 10.938 4.431 ( -6.872 7.152 -2.435) 10.213 4.565 ( -7.193 -5.955 -3.242) 9.885 4.868 ( 4.104 5.133 -0.313) 6.579 5.003 ( -1.914 -6.138 -3.130) 7.150 5.403 ( -2.648 11.295 -5.063) 12.658 5.472 ( -4.069 5.470 -3.591) 7.706 5.589 ( 0.260 -0.325 -6.131) 6.145 5.621 ( -5.119 -7.781 -3.235) 9.860 5.727 ( -2.552 0.217 -0.621) 2.635 5.862 ( -1.231 -8.610 0.440) 8.709 7.706 ( 5.518 11.758 -5.421) 14.074 7.900 ( 3.363 -7.644 -9.411) 12.582 8.289 ( -7.894 1.442 -5.706) 9.846 8.332 ( -7.154 -2.602 -9.513) 12.184 9.109 ( 2.036 5.209 1.939) 5.919 9.198 ( 1.951 -3.659 0.355) 4.162 9.352 ( -3.025 0.662 3.616) 4.761 9.380 ( -1.631 -2.000 2.618) 3.676 10.493 ( -1.147 3.194 0.090) 3.395 10.516 ( -1.011 1.240 -0.109) 1.604 10.565 ( 0.390 -3.710 0.803) 3.816 10.574 ( 0.042 -4.110 0.548) 4.147 10.925 ( 0.852 1.239 0.805) 1.706 10.951 ( 0.944 -0.945 -0.318) 1.373 11.013 ( -0.406 0.408 3.267) 3.317 11.054 ( -1.134 -3.326 2.900) 4.556 11.159 ( 5.458 4.623 2.365) 7.534 11.255 ( 4.766 -4.829 1.195) 6.889 11.600 ( -4.134 3.676 1.856) 5.835 11.650 ( -3.885 -1.531 2.456) 4.844 13.950 ( 4.201 8.227 -0.857) 9.277 14.087 ( 3.342 -5.705 -2.343) 7.015 14.430 ( -5.402 3.211 -3.069) 6.994 14.469 ( -7.714 -0.209 -5.628) 9.551 22.589 ( 7.239 6.248 -0.197) 9.565 22.718 ( 8.940 -6.792 -1.585) 11.339 22.905 ( -1.804 2.291 1.067) 3.105 22.952 ( 0.371 -2.464 1.741) 3.040 23.461 ( 5.158 1.308 7.336) 9.063 23.506 ( 7.708 -3.230 6.727) 10.728 23.988 ( -5.064 5.658 2.202) 7.906 24.120 ( -4.054 -7.207 0.061) 8.269 25.130 ( 1.851 2.910 2.765) 4.421 25.198 ( 1.753 -4.000 1.487) 4.614 25.303 ( -1.628 3.297 5.394) 6.528 25.411 ( -2.634 -7.830 6.003) 10.212 26.363 ( 2.582 5.670 -2.001) 6.544 26.445 ( 2.402 -2.360 -3.127) 4.596 26.714 ( -4.880 5.207 -3.302) 7.863 26.803 ( -5.673 -3.488 -4.934) 8.288 ======================= Grid point 52 (24/72) ======================= q-point: ( 0.40 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 5.333 12.580 0.715) 13.682 1.288 ( -5.633 5.894 0.632) 8.177 1.366 ( -3.546 -3.297 -0.741) 4.899 1.410 ( -8.931 0.216 -0.071) 8.934 1.533 ( 1.952 13.291 8.320) 15.802 1.674 ( -12.656 5.891 6.262) 15.300 1.832 ( 0.094 -14.307 5.566) 15.352 1.863 ( -3.035 -13.462 4.841) 14.625 2.135 ( 3.000 1.004 5.354) 6.218 2.156 ( 0.906 0.496 6.569) 6.650 2.254 ( 1.961 -9.464 5.284) 11.015 2.296 ( -1.866 -11.525 6.859) 13.541 3.059 ( 4.843 5.698 0.147) 7.479 3.103 ( 2.462 5.940 -0.677) 6.466 3.133 ( 3.325 -1.200 0.157) 3.538 3.177 ( 0.273 -1.059 0.088) 1.097 3.791 ( 16.908 10.839 -3.895) 20.458 3.873 ( 14.182 1.003 -1.210) 14.269 3.948 ( 4.635 14.089 2.951) 15.122 4.135 ( -5.097 1.153 -0.371) 5.239 4.196 ( -1.537 -4.130 2.812) 5.227 4.227 ( -6.521 4.578 -1.668) 8.140 4.261 ( 6.647 -2.477 1.172) 7.190 4.423 ( -5.861 -9.337 -1.698) 11.154 4.970 ( 2.337 4.698 -0.666) 5.289 5.031 ( 11.832 -3.653 0.842) 12.412 5.147 ( -13.411 11.610 0.825) 17.758 5.350 ( -15.869 -8.861 -0.140) 18.176 5.591 ( 7.977 -0.614 -5.969) 9.982 5.659 ( 3.291 -4.037 -5.502) 7.576 5.691 ( -1.684 -2.333 -4.313) 5.184 5.785 ( -6.195 -8.909 -2.765) 11.198 7.860 ( 8.701 9.114 -5.720) 13.838 7.988 ( 3.085 -1.011 -9.219) 9.774 8.096 ( -7.563 -0.487 -4.852) 8.999 8.167 ( -7.798 -4.746 -7.901) 12.073 9.174 ( 3.862 4.743 3.171) 6.890 9.241 ( 0.178 0.780 1.861) 2.026 9.286 ( -1.294 -2.026 3.209) 4.010 9.331 ( -2.901 -3.710 2.217) 5.205 10.479 ( 0.000 3.851 -0.619) 3.900 10.492 ( -1.081 2.915 -0.533) 3.155 10.567 ( 0.156 -5.096 0.299) 5.107 10.573 ( -0.276 -5.060 0.530) 5.095 10.950 ( 1.377 1.251 1.818) 2.601 10.970 ( 0.258 0.605 1.666) 1.791 10.998 ( -0.192 -1.882 1.649) 2.509 11.022 ( -1.708 -3.024 1.955) 3.985 11.311 ( 8.239 4.106 2.051) 9.431 11.386 ( 7.135 -3.306 1.173) 7.950 11.479 ( -7.102 3.517 2.027) 8.180 11.537 ( -6.612 -2.321 1.852) 7.248 14.075 ( 7.601 7.289 -1.695) 10.666 14.184 ( 5.745 -3.948 -2.099) 7.280 14.259 ( -9.543 5.085 -3.216) 11.281 14.317 ( -6.748 -1.202 -2.323) 7.237 22.744 ( 6.537 6.757 -1.375) 9.501 22.844 ( -2.291 4.138 -1.069) 4.849 22.883 ( 3.925 -5.865 -1.401) 7.195 22.943 ( -1.421 -4.690 0.193) 4.904 23.620 ( 9.486 4.409 4.983) 11.587 23.727 ( 10.611 -4.520 3.907) 12.177 23.843 ( -7.129 2.580 4.096) 8.617 23.983 ( -9.154 -9.268 1.712) 13.139 25.183 ( 3.028 2.838 3.516) 5.440 25.238 ( -0.301 0.974 3.222) 3.379 25.268 ( 0.779 -2.902 4.299) 5.245 25.338 ( -3.981 -6.394 4.892) 8.981 26.445 ( 5.207 5.820 -2.241) 8.124 26.519 ( 3.553 0.207 -3.870) 5.258 26.591 ( -5.202 2.605 -1.849) 6.104 26.663 ( -6.863 -2.920 -3.629) 8.294 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 0.000 18.643) 18.643 0.940 ( 0.000 0.000 21.906) 21.906 1.163 ( 0.000 0.000 30.192) 30.192 1.212 ( 0.000 0.000 -1.820) 1.820 1.304 ( 0.000 0.000 1.057) 1.057 1.724 ( 0.000 0.000 26.449) 26.449 1.895 ( 0.000 0.000 0.132) 0.132 2.010 ( 0.000 0.000 9.456) 9.456 2.352 ( 0.000 0.000 -1.928) 1.928 2.378 ( 0.000 0.000 7.708) 7.708 2.575 ( 0.000 0.000 9.515) 9.515 2.605 ( 0.000 0.000 -1.158) 1.158 2.798 ( 0.000 0.000 -9.376) 9.376 2.908 ( 0.000 0.000 7.326) 7.326 3.200 ( 0.000 0.000 -0.117) 0.117 3.404 ( 0.000 0.000 7.572) 7.572 3.474 ( 0.000 0.000 11.503) 11.503 3.554 ( 0.000 0.000 -6.606) 6.606 3.778 ( 0.000 0.000 4.989) 4.989 3.925 ( 0.000 0.000 -4.171) 4.171 4.440 ( 0.000 0.000 3.335) 3.335 4.565 ( 0.000 0.000 -2.828) 2.828 4.593 ( 0.000 0.000 2.382) 2.382 4.783 ( 0.000 0.000 -5.188) 5.188 4.794 ( 0.000 0.000 -8.184) 8.184 4.923 ( 0.000 0.000 -12.933) 12.933 5.164 ( 0.000 0.000 -5.117) 5.117 5.360 ( 0.000 0.000 0.382) 0.382 5.364 ( 0.000 0.000 -3.364) 3.364 5.542 ( 0.000 0.000 -2.255) 2.255 5.945 ( 0.000 0.000 -13.433) 13.433 6.058 ( 0.000 0.000 2.312) 2.312 7.052 ( 0.000 0.000 0.749) 0.749 7.658 ( 0.000 0.000 -20.203) 20.203 8.076 ( 0.000 0.000 -14.851) 14.851 8.340 ( 0.000 0.000 -3.623) 3.623 9.008 ( 0.000 0.000 11.391) 11.391 9.261 ( 0.000 0.000 -0.465) 0.465 9.405 ( 0.000 0.000 -1.307) 1.307 9.569 ( 0.000 0.000 5.956) 5.956 10.495 ( 0.000 0.000 1.315) 1.315 10.608 ( 0.000 0.000 0.574) 0.574 10.646 ( 0.000 0.000 -2.377) 2.377 10.833 ( 0.000 0.000 -0.632) 0.632 10.976 ( 0.000 0.000 4.993) 4.993 11.020 ( 0.000 0.000 1.562) 1.562 11.116 ( 0.000 0.000 2.450) 2.450 11.129 ( 0.000 0.000 4.829) 4.829 11.244 ( 0.000 0.000 -3.374) 3.374 11.363 ( 0.000 0.000 2.478) 2.478 11.654 ( 0.000 0.000 2.517) 2.517 11.839 ( 0.000 0.000 -5.140) 5.140 13.585 ( 0.000 0.000 6.482) 6.482 13.775 ( 0.000 0.000 2.566) 2.566 14.102 ( 0.000 0.000 -4.332) 4.332 14.354 ( 0.000 0.000 -0.851) 0.851 22.373 ( 0.000 0.000 2.725) 2.725 22.792 ( 0.000 0.000 1.180) 1.180 22.997 ( 0.000 0.000 3.256) 3.256 23.030 ( 0.000 0.000 -3.132) 3.132 23.528 ( 0.000 0.000 1.730) 1.730 23.629 ( 0.000 0.000 8.631) 8.631 24.272 ( 0.000 0.000 -3.382) 3.382 24.292 ( 0.000 0.000 -3.154) 3.154 25.157 ( 0.000 0.000 7.081) 7.081 25.396 ( 0.000 0.000 0.515) 0.515 25.789 ( 0.000 0.000 -0.273) 0.273 26.004 ( 0.000 0.000 -2.133) 2.133 26.092 ( 0.000 0.000 0.836) 0.836 26.338 ( 0.000 0.000 2.749) 2.749 26.434 ( 0.000 0.000 -3.583) 3.583 26.509 ( 0.000 0.000 0.344) 0.344 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 10.733 0.000 11.727) 15.897 1.054 ( 8.271 0.000 16.418) 18.383 1.253 ( 3.581 0.000 -1.676) 3.953 1.320 ( 2.635 0.000 2.133) 3.391 1.559 ( 22.728 0.000 23.377) 32.605 1.668 ( -2.717 0.000 24.247) 24.398 1.939 ( 0.670 0.000 2.566) 2.652 2.132 ( 11.672 0.000 8.841) 14.642 2.359 ( 1.602 0.000 -1.790) 2.402 2.472 ( 8.412 0.000 4.175) 9.391 2.579 ( -0.412 0.000 0.499) 0.647 2.582 ( -1.212 0.000 -0.803) 1.454 2.872 ( 5.108 0.000 -4.136) 6.573 2.942 ( 2.986 0.000 6.962) 7.575 3.176 ( -2.235 0.000 0.812) 2.378 3.280 ( -6.387 0.000 6.542) 9.143 3.503 ( -5.510 0.000 -5.553) 7.822 3.525 ( -3.469 0.000 9.446) 10.063 3.698 ( -2.182 0.000 3.102) 3.792 3.975 ( 4.131 0.000 -0.127) 4.133 4.221 ( -11.389 0.000 3.877) 12.031 4.484 ( -7.064 0.000 3.380) 7.831 4.540 ( -6.863 0.000 0.026) 6.863 4.572 ( -11.793 0.000 -6.378) 13.407 4.695 ( -11.257 0.000 -4.918) 12.284 4.957 ( -6.305 0.000 -5.692) 8.494 5.184 ( 0.663 0.000 -3.820) 3.877 5.442 ( 16.565 0.000 -3.858) 17.008 5.478 ( 9.167 0.000 -4.269) 10.112 5.660 ( 7.149 0.000 -4.137) 8.259 5.910 ( -2.742 0.000 -11.876) 12.189 6.179 ( 5.316 0.000 -3.860) 6.570 7.111 ( 5.889 0.000 -2.857) 6.545 7.645 ( -2.208 0.000 -19.150) 19.277 8.053 ( -1.002 0.000 -12.987) 13.025 8.302 ( -3.633 0.000 -3.189) 4.834 9.041 ( 3.049 0.000 9.934) 10.391 9.271 ( -0.050 0.000 0.637) 0.639 9.404 ( 0.805 0.000 -0.589) 0.998 9.581 ( 0.389 0.000 5.155) 5.170 10.388 ( -7.015 0.000 1.756) 7.231 10.487 ( -4.571 0.000 -1.667) 4.866 10.779 ( 4.836 0.000 -0.439) 4.856 10.858 ( 1.794 0.000 -0.938) 2.024 11.003 ( 2.653 0.000 4.326) 5.074 11.016 ( 0.020 0.000 2.667) 2.667 11.087 ( -1.198 0.000 3.031) 3.259 11.225 ( 6.471 0.000 1.910) 6.747 11.269 ( 0.368 0.000 -2.826) 2.850 11.342 ( -0.083 0.000 2.782) 2.783 11.625 ( -2.808 0.000 2.283) 3.619 11.737 ( -8.286 0.000 -1.849) 8.489 13.600 ( 1.492 0.000 5.712) 5.904 13.755 ( -1.818 0.000 2.624) 3.192 14.132 ( 2.657 0.000 -3.650) 4.515 14.334 ( -1.941 0.000 -1.010) 2.188 22.414 ( 3.831 0.000 1.932) 4.291 22.781 ( -4.338 0.000 -0.290) 4.348 22.951 ( 3.450 0.000 0.330) 3.466 23.139 ( 3.424 0.000 -1.670) 3.809 23.565 ( 2.709 0.000 3.075) 4.098 23.654 ( 1.995 0.000 5.318) 5.680 24.236 ( -1.110 0.000 -3.042) 3.238 24.316 ( 0.516 0.000 -4.088) 4.120 25.182 ( 2.351 0.000 7.090) 7.470 25.384 ( -1.344 0.000 2.469) 2.811 25.799 ( 1.013 0.000 -0.263) 1.047 25.950 ( -3.453 0.000 -0.893) 3.567 26.158 ( 4.544 0.000 -0.644) 4.589 26.327 ( -0.949 0.000 2.607) 2.774 26.411 ( -2.172 0.000 -3.343) 3.987 26.431 ( -5.680 0.000 2.429) 6.177 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 19.080 0.000 9.583) 21.352 1.183 ( 4.252 0.000 4.876) 6.469 1.253 ( -2.404 0.000 0.721) 2.510 1.441 ( -13.616 0.000 16.977) 21.763 1.538 ( 15.005 0.000 5.974) 16.150 1.827 ( -10.867 0.000 5.335) 12.106 2.080 ( 21.042 0.000 10.258) 23.409 2.411 ( 3.016 0.000 -0.938) 3.158 2.442 ( -10.014 0.000 -0.411) 10.022 2.479 ( -3.326 0.000 -0.922) 3.451 2.485 ( 16.924 0.000 5.705) 17.860 2.835 ( -11.355 0.000 2.673) 11.665 2.858 ( 19.926 0.000 2.162) 20.043 3.021 ( 4.170 0.000 6.718) 7.907 3.111 ( -3.459 0.000 1.947) 3.969 3.253 ( 4.626 0.000 2.748) 5.381 3.290 ( -15.062 0.000 -2.303) 15.237 3.372 ( -6.180 0.000 5.857) 8.515 3.765 ( 4.731 0.000 4.389) 6.453 3.889 ( -7.966 0.000 3.616) 8.748 4.191 ( 2.583 0.000 2.696) 3.733 4.293 ( -9.629 0.000 4.007) 10.429 4.402 ( -2.923 0.000 -6.118) 6.780 4.462 ( 5.138 0.000 4.234) 6.658 4.465 ( -8.343 0.000 -5.069) 9.762 4.689 ( -13.657 0.000 1.166) 13.706 5.391 ( 12.792 0.000 -8.885) 15.575 5.609 ( -5.084 0.000 -8.520) 9.921 5.660 ( 7.024 0.000 -5.015) 8.630 5.741 ( -0.151 0.000 -5.089) 5.092 5.963 ( 10.518 0.000 -6.599) 12.417 6.168 ( -6.282 0.000 -5.443) 8.312 7.295 ( 10.980 0.000 -10.631) 15.283 7.523 ( -9.418 0.000 -16.740) 19.208 8.084 ( 4.105 0.000 -7.680) 8.709 8.197 ( -5.876 0.000 -3.806) 7.001 9.126 ( 4.794 0.000 6.451) 8.038 9.224 ( -4.054 0.000 2.911) 4.991 9.465 ( 4.463 0.000 2.289) 5.016 9.554 ( -3.209 0.000 4.540) 5.560 10.320 ( 0.681 0.000 -1.263) 1.435 10.386 ( -4.727 0.000 -2.508) 5.351 10.851 ( 2.369 0.000 0.462) 2.414 10.879 ( -0.160 0.000 -0.327) 0.364 11.029 ( 1.199 0.000 2.890) 3.129 11.059 ( -1.461 0.000 2.624) 3.003 11.085 ( 4.968 0.000 2.911) 5.758 11.197 ( -5.331 0.000 1.203) 5.465 11.375 ( 7.724 0.000 0.909) 7.777 11.420 ( 5.666 0.000 0.789) 5.720 11.539 ( -5.227 0.000 1.568) 5.457 11.549 ( -8.903 0.000 0.642) 8.926 13.645 ( 2.684 0.000 4.231) 5.010 13.705 ( -2.821 0.000 3.109) 4.197 14.202 ( 3.711 0.000 -2.439) 4.440 14.277 ( -3.320 0.000 -1.518) 3.651 22.521 ( 6.038 0.000 0.501) 6.059 22.655 ( -6.540 0.000 -0.293) 6.547 23.062 ( 5.391 0.000 -0.757) 5.444 23.147 ( -2.253 0.000 -1.144) 2.527 23.622 ( 2.732 0.000 4.336) 5.124 23.669 ( -1.168 0.000 3.196) 3.403 24.253 ( 2.342 0.000 -4.306) 4.901 24.303 ( -1.803 0.000 -4.646) 4.983 25.250 ( 3.929 0.000 7.044) 8.066 25.332 ( -3.498 0.000 5.748) 6.729 25.831 ( 1.992 0.000 -0.270) 2.010 25.882 ( -2.882 0.000 -0.402) 2.910 26.256 ( 4.680 0.000 -1.767) 5.002 26.311 ( -0.179 0.000 2.418) 2.425 26.336 ( -2.846 0.000 2.702) 3.924 26.347 ( -3.831 0.000 -2.690) 4.681 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 -1.973 21.746) 21.835 0.821 ( 0.000 9.857 13.826) 16.980 1.256 ( 0.000 4.551 -0.560) 4.585 1.359 ( 0.000 5.096 1.086) 5.210 1.513 ( 0.000 24.213 21.697) 32.512 1.766 ( 0.000 3.959 23.596) 23.926 2.015 ( 0.000 1.648 11.568) 11.685 2.036 ( 0.000 13.299 0.406) 13.305 2.322 ( 0.000 -3.307 -0.472) 3.340 2.450 ( 0.000 5.531 6.381) 8.444 2.528 ( 0.000 -4.035 9.474) 10.297 2.547 ( 0.000 -7.221 -3.179) 7.890 2.838 ( 0.000 3.555 -8.257) 8.990 2.885 ( 0.000 -2.165 6.374) 6.732 3.135 ( 0.000 -6.532 1.726) 6.756 3.361 ( 0.000 -3.673 6.675) 7.619 3.376 ( 0.000 -10.165 8.907) 13.515 3.506 ( 0.000 -2.510 -2.419) 3.486 3.826 ( 0.000 4.291 5.058) 6.633 3.931 ( 0.000 -0.501 -5.187) 5.211 4.277 ( 0.000 -9.974 3.930) 10.721 4.521 ( 0.000 -4.114 -3.330) 5.292 4.601 ( 0.000 0.886 1.404) 1.660 4.814 ( 0.000 1.113 -9.753) 9.817 4.969 ( 0.000 0.913 -7.218) 7.276 4.974 ( 0.000 14.495 -4.314) 15.123 5.043 ( 0.000 -5.531 -8.129) 9.832 5.141 ( 0.000 -16.974 4.556) 17.575 5.414 ( 0.000 2.606 -3.131) 4.074 5.622 ( 0.000 3.719 -2.616) 4.547 5.879 ( 0.000 -5.844 -12.532) 13.827 6.040 ( 0.000 -1.831 1.474) 2.351 7.141 ( 0.000 8.444 0.599) 8.466 7.664 ( 0.000 0.568 -19.258) 19.267 8.096 ( 0.000 1.460 -17.413) 17.474 8.326 ( 0.000 -1.560 -4.346) 4.617 9.033 ( 0.000 2.509 10.669) 10.960 9.254 ( 0.000 -0.689 -0.061) 0.691 9.406 ( 0.000 0.189 -0.963) 0.981 9.554 ( 0.000 -1.497 5.715) 5.908 10.496 ( 0.000 0.154 1.345) 1.354 10.601 ( 0.000 -0.680 0.603) 0.909 10.626 ( 0.000 -1.945 -1.433) 2.416 10.784 ( 0.000 -4.720 -0.402) 4.737 10.977 ( 0.000 -0.799 2.683) 2.799 11.013 ( 0.000 1.132 4.398) 4.541 11.044 ( 0.000 -6.012 4.012) 7.228 11.105 ( 0.000 -0.755 2.224) 2.349 11.263 ( 0.000 0.162 -0.717) 0.735 11.444 ( 0.000 6.682 2.068) 6.994 11.533 ( 0.000 -10.702 2.189) 10.924 11.790 ( 0.000 -1.763 1.155) 2.107 13.672 ( 0.000 5.353 5.872) 7.946 13.980 ( 0.000 17.369 -8.278) 19.240 14.094 ( 0.000 -0.931 -4.490) 4.585 14.360 ( 0.000 0.619 -1.189) 1.340 22.392 ( 0.000 1.947 2.604) 3.251 22.771 ( 0.000 -2.124 1.256) 2.467 22.994 ( 0.000 -0.309 2.660) 2.678 22.999 ( 0.000 -2.653 -2.064) 3.361 23.526 ( 0.000 -0.093 2.588) 2.590 23.641 ( 0.000 1.034 8.745) 8.806 24.204 ( 0.000 -5.954 0.987) 6.035 24.276 ( 0.000 -1.709 -2.990) 3.444 25.164 ( 0.000 0.703 7.474) 7.507 25.360 ( 0.000 -3.232 1.038) 3.394 25.617 ( 0.000 -12.452 8.782) 15.237 25.962 ( 0.000 -5.789 3.300) 6.664 26.088 ( 0.000 2.598 -0.786) 2.715 26.275 ( 0.000 -1.090 -4.276) 4.412 26.527 ( 0.000 5.286 -1.639) 5.534 26.654 ( 0.000 8.334 -6.489) 10.563 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 7.446 9.401 8.647) 14.785 0.974 ( 12.045 -5.315 20.143) 24.064 1.269 ( 1.232 3.624 1.032) 3.964 1.343 ( -1.259 4.490 -0.118) 4.665 1.706 ( -4.177 3.891 22.001) 22.730 1.781 ( 16.225 11.497 12.064) 23.259 1.903 ( -1.868 3.756 10.041) 10.882 2.245 ( 5.577 4.440 5.143) 8.790 2.343 ( 5.242 -1.240 0.016) 5.387 2.436 ( -1.307 -2.559 3.052) 4.191 2.573 ( 9.784 2.891 3.655) 10.837 2.650 ( 3.885 0.229 1.340) 4.116 2.866 ( 3.628 1.280 -5.947) 7.083 2.895 ( -0.382 -4.027 4.943) 6.388 3.101 ( -3.675 -6.908 2.830) 8.321 3.256 ( -2.984 -2.013 4.679) 5.904 3.390 ( -5.650 -9.785 3.469) 11.820 3.510 ( -0.200 0.467 2.466) 2.518 3.733 ( -1.893 2.643 2.375) 4.026 4.030 ( 5.627 4.521 -0.468) 7.233 4.137 ( -7.808 -5.146 1.842) 9.531 4.476 ( -5.251 -1.226 2.421) 5.910 4.511 ( -8.265 -0.903 0.033) 8.314 4.718 ( -11.217 11.544 -5.301) 16.947 4.797 ( -8.667 4.525 -5.592) 11.263 4.976 ( -13.341 2.000 1.315) 13.554 5.057 ( 8.458 -9.140 -5.634) 13.668 5.292 ( 16.228 -9.864 -5.832) 19.866 5.510 ( 9.242 -0.041 -3.198) 9.780 5.683 ( 3.653 0.823 -4.420) 5.793 5.843 ( -2.803 -6.296 -11.851) 13.709 6.128 ( 3.822 -4.733 -2.301) 6.504 7.198 ( 5.555 8.178 -3.034) 10.341 7.662 ( -1.183 1.529 -18.117) 18.220 8.057 ( -2.376 0.157 -14.704) 14.896 8.283 ( -3.974 -1.948 -3.860) 5.872 9.065 ( 2.912 2.381 9.375) 10.101 9.269 ( 0.569 -0.202 1.002) 1.170 9.399 ( 0.138 -0.391 -0.301) 0.512 9.559 ( -0.059 -2.121 5.203) 5.619 10.403 ( -6.136 1.480 1.612) 6.515 10.488 ( -4.254 0.110 -1.306) 4.451 10.750 ( 4.237 -2.989 0.088) 5.185 10.803 ( 1.423 -5.105 -0.370) 5.312 10.994 ( 0.805 -1.562 2.324) 2.913 11.007 ( 1.792 -0.441 3.968) 4.376 11.079 ( -0.454 -0.309 2.622) 2.679 11.143 ( 5.184 -4.215 3.062) 7.350 11.279 ( 0.475 -0.037 -1.186) 1.278 11.425 ( -0.273 4.684 2.201) 5.182 11.506 ( -2.659 -7.898 2.220) 8.624 11.736 ( -4.692 -0.117 1.744) 5.007 13.683 ( 1.253 5.876 4.863) 7.730 13.921 ( -4.753 14.623 -4.671) 16.070 14.125 ( 2.797 -0.762 -3.825) 4.800 14.339 ( -2.026 0.534 -1.367) 2.501 22.436 ( 4.014 2.196 1.775) 4.907 22.785 ( -2.693 0.317 -0.541) 2.765 22.933 ( 2.693 -1.839 -0.000) 3.261 23.102 ( 3.127 -3.314 -0.955) 4.655 23.562 ( 2.814 -0.083 3.749) 4.688 23.671 ( 2.338 1.651 5.566) 6.258 24.178 ( -1.050 -5.612 0.272) 5.716 24.286 ( 0.084 -2.753 -3.054) 4.112 25.187 ( 2.135 0.517 7.255) 7.580 25.355 ( -0.807 -2.491 2.754) 3.800 25.643 ( 2.583 -12.199 7.486) 14.544 25.912 ( -3.822 -5.272 3.347) 7.321 26.130 ( 3.006 1.091 -0.944) 3.335 26.264 ( -1.065 -0.432 -4.429) 4.576 26.510 ( -1.497 5.279 -1.077) 5.591 26.585 ( -5.239 8.819 -4.302) 11.124 ======================= Grid point 77 (30/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 13.115 1.390 5.177) 14.168 1.244 ( 8.082 4.107 7.691) 11.889 1.264 ( 0.536 -6.955 8.324) 10.860 1.353 ( 2.721 3.849 4.188) 6.306 1.582 ( -4.497 3.524 12.755) 13.976 1.705 ( -11.576 -8.509 6.229) 15.659 2.202 ( 14.001 6.511 8.519) 17.635 2.303 ( 2.058 -7.546 2.455) 8.198 2.388 ( 1.231 -3.285 -0.751) 3.588 2.519 ( 2.565 -0.533 4.594) 5.288 2.596 ( -0.230 5.182 -2.031) 5.571 2.790 ( -7.357 -4.211 2.357) 8.798 2.923 ( 4.950 -6.252 4.428) 9.122 2.973 ( 12.359 8.929 1.584) 15.329 2.999 ( -3.177 -6.686 5.126) 9.004 3.237 ( -8.463 -2.365 4.001) 9.656 3.303 ( 6.788 3.327 0.502) 7.576 3.448 ( -4.816 7.105 0.850) 8.625 3.795 ( 5.036 2.631 3.088) 6.467 3.921 ( -7.650 2.832 1.521) 8.298 4.197 ( 3.325 1.169 1.267) 3.745 4.291 ( -9.325 -0.030 3.744) 10.049 4.426 ( 4.285 -1.150 3.056) 5.387 4.543 ( -2.929 10.644 -3.475) 11.573 4.602 ( -8.500 11.129 -4.025) 14.570 4.664 ( -13.645 -1.959 2.450) 14.001 5.318 ( 13.710 -6.942 -7.540) 17.118 5.527 ( -0.516 -7.013 -8.594) 11.104 5.650 ( 2.163 -1.949 -5.716) 6.415 5.705 ( 0.133 -3.550 -5.090) 6.208 5.886 ( 9.853 -7.393 -6.523) 13.939 6.098 ( -6.975 -6.856 -4.445) 10.743 7.366 ( 9.854 6.747 -10.402) 15.838 7.567 ( -8.056 4.275 -15.955) 18.377 8.063 ( 3.438 -2.128 -8.451) 9.368 8.172 ( -6.026 -2.532 -4.446) 7.905 9.146 ( 4.469 1.906 6.240) 7.908 9.236 ( -3.589 1.127 3.071) 4.856 9.447 ( 4.011 -1.786 2.385) 4.997 9.529 ( -3.022 -2.460 4.540) 5.983 10.339 ( 0.361 2.016 -0.825) 2.208 10.396 ( -4.211 1.001 -1.934) 4.740 10.807 ( 1.627 -4.308 0.847) 4.682 10.823 ( 0.152 -5.180 0.289) 5.191 11.017 ( 1.470 -1.058 2.574) 3.148 11.048 ( -1.018 -0.987 3.443) 3.723 11.086 ( 4.184 -0.516 1.360) 4.430 11.186 ( -3.727 -2.017 2.206) 4.778 11.310 ( 5.077 -1.939 0.251) 5.441 11.424 ( -5.013 -4.447 1.670) 6.906 11.486 ( 5.382 2.540 2.083) 6.305 11.615 ( -6.412 1.570 2.088) 6.924 13.730 ( 3.277 7.312 2.625) 8.432 13.816 ( -4.781 10.175 -0.258) 11.245 14.199 ( 3.925 -0.369 -2.654) 4.752 14.279 ( -3.526 0.144 -1.812) 3.967 22.545 ( 6.050 2.452 0.301) 6.535 22.676 ( -6.178 2.099 -0.495) 6.543 23.038 ( 5.114 -2.534 -1.172) 5.827 23.114 ( -1.813 -3.219 -1.201) 3.885 23.627 ( 3.299 0.725 4.673) 5.766 23.686 ( -1.578 1.863 3.554) 4.312 24.200 ( 2.906 -5.286 -2.119) 6.393 24.262 ( -2.347 -3.916 -3.324) 5.647 25.247 ( 3.405 -0.143 6.814) 7.618 25.316 ( -2.827 -1.247 5.549) 6.351 25.721 ( 4.585 -10.225 5.305) 12.398 25.821 ( -4.715 -7.139 4.058) 9.469 26.189 ( 2.474 0.473 -2.203) 3.346 26.234 ( -1.779 0.593 -3.923) 4.348 26.478 ( -0.873 6.066 -0.500) 6.149 26.495 ( -2.623 7.730 -2.286) 8.477 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 13.306 9.814) 16.534 1.085 ( 0.000 16.080 5.854) 17.112 1.365 ( 0.000 6.127 0.499) 6.147 1.478 ( 0.000 6.577 0.731) 6.617 1.825 ( 0.000 -0.484 15.270) 15.277 1.972 ( 0.000 20.192 12.661) 23.833 2.107 ( 0.000 8.386 14.341) 16.613 2.231 ( 0.000 -3.005 4.987) 5.823 2.323 ( 0.000 -14.331 0.291) 14.334 2.339 ( 0.000 11.517 0.880) 11.551 2.491 ( 0.000 4.998 10.102) 11.271 2.548 ( 0.000 3.205 5.137) 6.055 2.826 ( 0.000 -4.650 4.087) 6.191 2.849 ( 0.000 -3.199 -3.612) 4.825 2.962 ( 0.000 -9.685 4.928) 10.867 3.136 ( 0.000 -11.706 5.142) 12.786 3.295 ( 0.000 -2.512 4.490) 5.145 3.545 ( 0.000 6.507 -1.273) 6.630 3.786 ( 0.000 -13.596 -0.571) 13.608 3.918 ( 0.000 4.610 5.851) 7.449 4.233 ( 0.000 3.967 -1.890) 4.394 4.392 ( 0.000 -9.701 -2.532) 10.026 4.610 ( 0.000 -1.936 0.862) 2.119 4.754 ( 0.000 -8.120 -4.920) 9.494 4.827 ( 0.000 -11.049 8.675) 14.048 4.899 ( 0.000 0.695 -12.266) 12.285 5.119 ( 0.000 5.371 -5.557) 7.728 5.258 ( 0.000 13.012 -5.586) 14.160 5.455 ( 0.000 2.607 -3.859) 4.657 5.623 ( 0.000 -3.691 -6.177) 7.196 5.772 ( 0.000 -3.964 -8.482) 9.362 5.981 ( 0.000 -4.548 -0.545) 4.581 7.343 ( 0.000 11.230 -0.561) 11.244 7.672 ( 0.000 -0.030 -16.297) 16.297 8.116 ( 0.000 0.665 -18.819) 18.831 8.277 ( 0.000 -3.467 -6.623) 7.476 9.096 ( 0.000 3.631 8.652) 9.383 9.236 ( 0.000 -1.093 1.165) 1.597 9.414 ( 0.000 0.629 0.010) 0.630 9.515 ( 0.000 -2.349 4.945) 5.474 10.504 ( 0.000 0.748 1.262) 1.467 10.582 ( 0.000 -1.226 0.711) 1.417 10.582 ( 0.000 -2.016 0.391) 2.053 10.677 ( 0.000 -5.439 0.442) 5.457 10.956 ( 0.000 -2.666 2.715) 3.805 10.957 ( 0.000 -0.949 1.396) 1.688 11.063 ( 0.000 3.221 5.683) 6.532 11.096 ( 0.000 0.234 1.940) 1.954 11.229 ( 0.000 -3.627 2.622) 4.476 11.350 ( 0.000 -7.074 2.198) 7.408 11.577 ( 0.000 6.425 1.733) 6.655 11.770 ( 0.000 -0.847 2.301) 2.452 13.781 ( 0.000 5.880 3.085) 6.641 14.061 ( 0.000 -2.565 -4.306) 5.012 14.267 ( 0.000 10.348 -12.446) 16.186 14.379 ( 0.000 1.252 -2.625) 2.908 22.447 ( 0.000 3.667 2.278) 4.317 22.711 ( 0.000 -3.863 1.424) 4.117 22.952 ( 0.000 -1.648 -1.027) 1.942 22.983 ( 0.000 -0.944 1.110) 1.457 23.532 ( 0.000 0.916 5.122) 5.204 23.654 ( 0.000 -0.157 9.745) 9.747 24.097 ( 0.000 -3.671 4.462) 5.778 24.226 ( 0.000 -3.305 -2.253) 4.000 25.183 ( 0.000 1.166 8.156) 8.239 25.290 ( 0.000 -3.454 2.558) 4.298 25.449 ( 0.000 -4.011 8.756) 9.631 25.786 ( 0.000 -10.745 7.522) 13.116 26.177 ( 0.000 5.662 -2.151) 6.057 26.311 ( 0.000 2.939 -6.848) 7.452 26.609 ( 0.000 3.401 -2.871) 4.451 26.748 ( 0.000 1.511 -8.202) 8.340 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 2.009 6.511 12.588) 14.314 1.090 ( 3.985 15.421 4.655) 16.594 1.392 ( 2.216 6.995 2.258) 7.677 1.427 ( -4.433 4.323 -0.261) 6.197 1.778 ( -5.768 1.900 15.503) 16.650 1.905 ( -7.924 7.083 5.543) 11.987 2.103 ( 2.596 6.146 9.328) 11.469 2.191 ( -1.183 -4.771 5.235) 7.181 2.262 ( 0.421 -6.247 3.092) 6.983 2.422 ( -1.519 -5.340 7.505) 9.335 2.508 ( 2.052 -4.123 5.742) 7.360 2.715 ( 5.693 -1.299 5.807) 8.235 2.821 ( 3.502 1.009 2.713) 4.543 2.882 ( 5.741 -0.141 3.581) 6.768 3.045 ( 6.774 3.498 -2.305) 7.964 3.187 ( 4.726 -4.419 1.475) 6.636 3.244 ( -3.991 -2.683 2.356) 5.355 3.599 ( 4.425 8.826 2.277) 10.132 3.750 ( 1.171 -2.246 1.949) 3.196 4.040 ( 6.506 -1.001 1.875) 6.844 4.168 ( -3.422 5.939 -3.134) 7.537 4.421 ( -1.653 -5.146 1.292) 5.557 4.495 ( -9.224 -2.292 0.725) 9.532 4.692 ( -3.866 -13.892 3.314) 14.796 4.851 ( 3.761 -1.182 -6.045) 7.216 4.943 ( -6.494 5.155 -3.511) 9.005 5.085 ( 5.149 1.984 -4.679) 7.234 5.248 ( -1.984 8.858 -6.071) 10.921 5.485 ( 6.571 -1.871 -3.884) 7.859 5.650 ( 0.567 -4.692 -6.013) 7.648 5.707 ( -5.013 -6.000 -9.415) 12.238 6.010 ( 0.301 -7.230 -1.585) 7.407 7.392 ( 4.727 10.807 -3.892) 12.421 7.693 ( 1.408 1.261 -14.946) 15.065 8.055 ( -4.712 -0.219 -16.484) 17.145 8.225 ( -4.736 -4.009 -5.960) 8.604 9.125 ( 2.603 3.495 7.800) 8.934 9.261 ( 1.898 -0.702 1.987) 2.836 9.394 ( -1.397 0.062 0.545) 1.501 9.506 ( -1.011 -3.034 4.860) 5.817 10.445 ( -4.104 2.744 1.358) 5.120 10.494 ( -3.195 0.643 -0.348) 3.278 10.672 ( 2.442 -4.591 1.115) 5.318 10.689 ( 1.064 -5.923 0.500) 6.039 10.962 ( 1.037 -1.524 2.226) 2.891 10.980 ( 1.957 -1.456 1.783) 3.022 11.079 ( -1.384 -0.313 2.005) 2.457 11.123 ( 4.343 1.731 4.705) 6.633 11.235 ( 0.167 -3.948 2.636) 4.750 11.361 ( 2.021 -4.167 1.181) 4.779 11.550 ( -2.492 5.301 2.395) 6.328 11.728 ( -3.937 -0.835 2.351) 4.661 13.806 ( 2.543 6.627 2.050) 7.389 14.095 ( 3.077 -2.258 -3.863) 5.430 14.184 ( -6.779 10.392 -8.862) 15.248 14.353 ( -2.532 0.831 -2.809) 3.872 22.498 ( 4.532 4.136 1.329) 6.278 22.778 ( 3.357 -1.838 -0.943) 3.942 22.893 ( -1.385 -1.259 -0.329) 1.900 23.030 ( 1.634 -3.719 -0.397) 4.081 23.571 ( 3.325 1.204 5.708) 6.715 23.704 ( 4.045 0.982 6.831) 7.999 24.062 ( -2.374 -4.694 4.530) 6.942 24.216 ( -1.334 -4.344 -1.843) 4.904 25.203 ( 1.808 1.075 7.552) 7.839 25.308 ( 1.073 -2.133 3.340) 4.106 25.454 ( 0.988 -5.928 8.634) 10.519 25.743 ( -3.928 -10.467 7.328) 13.367 26.204 ( 2.414 5.495 -2.256) 6.411 26.317 ( 0.516 3.998 -6.817) 7.920 26.584 ( -2.123 2.624 -2.193) 4.025 26.690 ( -4.810 2.056 -6.786) 8.569 ======================= Grid point 82 (33/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 10.184 -0.843 6.423) 12.070 1.204 ( 3.277 5.383 6.962) 9.390 1.340 ( -0.333 3.459 2.764) 4.440 1.463 ( 1.708 4.294 3.759) 5.957 1.582 ( -8.675 0.110 10.955) 13.974 1.696 ( -10.960 4.983 7.482) 14.175 2.137 ( 2.143 -9.385 4.253) 10.524 2.189 ( -2.156 -7.105 6.002) 9.547 2.315 ( 5.050 -4.774 4.623) 8.347 2.393 ( -1.938 -9.914 5.120) 11.325 2.554 ( 3.630 -6.836 3.867) 8.653 2.660 ( -5.626 -9.058 4.638) 11.629 2.940 ( 3.407 6.613 1.899) 7.677 2.969 ( 0.643 4.325 2.198) 4.894 3.156 ( 2.696 5.528 2.867) 6.786 3.196 ( -0.927 -1.541 4.134) 4.509 3.427 ( 16.957 11.040 -5.219) 20.896 3.674 ( -1.341 15.582 -0.880) 15.665 3.846 ( 6.470 2.158 1.412) 6.965 3.986 ( -6.337 3.643 -1.201) 7.407 4.222 ( -0.081 0.769 0.352) 0.849 4.291 ( -8.166 -0.207 3.884) 9.045 4.385 ( 6.275 -3.182 2.848) 7.590 4.583 ( -7.716 -6.102 2.805) 10.230 4.773 ( -2.489 11.436 -2.818) 12.038 4.865 ( -9.804 13.645 -3.533) 17.169 5.166 ( 13.124 -6.957 -2.462) 15.057 5.386 ( -0.393 -5.749 -8.264) 10.075 5.570 ( -0.820 -6.454 -6.057) 8.889 5.619 ( 0.953 -4.284 -5.886) 7.342 5.705 ( 7.734 -10.307 -6.707) 14.527 5.924 ( -8.763 -10.333 -3.154) 13.911 7.530 ( 7.782 9.358 -9.981) 15.740 7.675 ( -4.548 6.359 -13.765) 15.830 8.002 ( 1.504 -4.059 -10.045) 10.937 8.100 ( -6.390 -4.835 -6.139) 10.095 9.195 ( 3.787 3.004 5.589) 7.390 9.266 ( -2.275 1.947 3.469) 4.583 9.400 ( 2.626 -2.848 2.642) 4.689 9.466 ( -2.853 -3.696 4.403) 6.418 10.396 ( -0.232 3.711 0.083) 3.719 10.428 ( -2.820 2.361 -0.596) 3.726 10.698 ( 0.747 -6.263 1.245) 6.429 10.706 ( 0.155 -6.254 1.052) 6.344 10.995 ( 1.895 -0.977 2.239) 3.092 11.028 ( 0.464 -1.010 3.749) 3.910 11.055 ( 1.274 -1.975 0.107) 2.352 11.128 ( -3.514 -3.450 2.391) 5.474 11.307 ( 6.274 1.721 2.591) 7.002 11.410 ( -1.037 1.675 0.624) 2.066 11.508 ( 1.726 0.226 3.566) 3.968 11.617 ( -6.164 -1.060 2.439) 6.713 13.889 ( 5.341 8.258 -0.381) 9.842 14.025 ( -7.418 9.828 -3.930) 12.925 14.181 ( 4.609 -1.585 -3.015) 5.731 14.278 ( -4.374 -0.398 -2.725) 5.168 22.615 ( 6.047 4.579 -0.262) 7.590 22.734 ( -5.076 3.828 -1.022) 6.439 22.963 ( 4.730 -5.104 -1.804) 7.189 23.031 ( -1.621 -4.977 -1.335) 5.402 23.659 ( 4.870 2.799 5.643) 7.962 23.745 ( -1.844 4.104 4.053) 6.055 24.064 ( 3.497 -7.945 2.660) 9.079 24.159 ( -4.153 -6.466 -0.690) 7.715 25.253 ( 2.716 0.842 6.519) 7.112 25.303 ( -1.684 0.313 5.294) 5.564 25.516 ( 4.916 -9.382 7.662) 13.073 25.636 ( -5.896 -10.238 7.232) 13.852 26.266 ( 3.212 6.091 -3.341) 7.654 26.317 ( -1.096 6.272 -5.827) 8.632 26.547 ( -0.447 1.080 -1.845) 2.185 26.588 ( -4.040 1.740 -4.286) 6.142 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 15.604 -0.399) 15.609 1.357 ( 0.000 7.559 -2.497) 7.960 1.471 ( 0.000 4.379 2.188) 4.895 1.572 ( 0.000 -1.879 -0.355) 1.913 1.750 ( 0.000 1.762 11.296) 11.433 2.000 ( 0.000 -16.942 4.705) 17.583 2.232 ( 0.000 6.881 11.916) 13.760 2.234 ( 0.000 2.380 10.257) 10.530 2.312 ( 0.000 8.105 8.999) 12.110 2.415 ( 0.000 0.765 9.414) 9.445 2.565 ( 0.000 0.033 5.098) 5.098 2.632 ( 0.000 -8.021 2.616) 8.437 2.785 ( 0.000 11.158 4.286) 11.953 2.795 ( 0.000 -0.350 3.269) 3.287 2.845 ( 0.000 -2.220 4.862) 5.345 2.967 ( 0.000 -6.298 3.245) 7.085 3.290 ( 0.000 3.609 2.614) 4.457 3.485 ( 0.000 -14.737 0.389) 14.742 3.742 ( 0.000 11.980 0.688) 12.000 3.951 ( 0.000 -4.910 5.874) 7.656 4.207 ( 0.000 -4.028 -2.741) 4.872 4.261 ( 0.000 -3.898 -2.492) 4.627 4.533 ( 0.000 0.296 3.424) 3.436 4.613 ( 0.000 -5.999 -1.762) 6.252 4.806 ( 0.000 4.640 0.555) 4.674 4.895 ( 0.000 -2.850 -7.574) 8.092 5.221 ( 0.000 6.276 -7.528) 9.801 5.354 ( 0.000 -4.984 -11.211) 12.269 5.540 ( 0.000 5.553 -5.065) 7.516 5.603 ( 0.000 1.821 -3.311) 3.779 5.728 ( 0.000 1.467 -5.635) 5.823 5.858 ( 0.000 -7.884 -2.603) 8.302 7.540 ( 0.000 8.233 -4.347) 9.310 7.648 ( 0.000 -2.967 -10.881) 11.278 8.137 ( 0.000 1.967 -16.285) 16.403 8.199 ( 0.000 -4.065 -10.949) 11.679 9.163 ( 0.000 3.006 5.992) 6.704 9.209 ( 0.000 -1.769 3.259) 3.708 9.433 ( 0.000 1.415 1.601) 2.137 9.469 ( 0.000 -2.239 3.506) 4.160 10.525 ( 0.000 1.356 1.055) 1.718 10.555 ( 0.000 -1.565 0.882) 1.797 10.562 ( 0.000 0.139 1.243) 1.251 10.592 ( 0.000 -3.032 1.117) 3.231 10.932 ( 0.000 -0.105 1.292) 1.296 10.940 ( 0.000 -0.747 0.911) 1.178 11.098 ( 0.000 1.487 4.547) 4.784 11.148 ( 0.000 -3.718 4.358) 5.729 11.152 ( 0.000 4.452 2.979) 5.357 11.242 ( 0.000 -4.760 2.246) 5.263 11.682 ( 0.000 4.261 1.748) 4.605 11.744 ( 0.000 -2.114 2.018) 2.923 13.895 ( 0.000 5.614 -0.353) 5.625 13.993 ( 0.000 -4.356 -2.958) 5.266 14.387 ( 0.000 2.728 -9.281) 9.673 14.401 ( 0.000 0.672 -5.462) 5.504 22.530 ( 0.000 4.739 1.908) 5.108 22.625 ( 0.000 -4.819 1.628) 5.086 22.941 ( 0.000 0.383 -0.937) 1.012 22.959 ( 0.000 -1.296 -0.402) 1.357 23.567 ( 0.000 2.580 8.443) 8.828 23.623 ( 0.000 -2.780 10.508) 10.870 24.085 ( 0.000 2.101 2.124) 2.987 24.152 ( 0.000 -4.090 -0.563) 4.128 25.205 ( 0.000 1.110 7.078) 7.164 25.235 ( 0.000 -2.158 4.679) 5.153 25.454 ( 0.000 4.070 7.210) 8.279 25.587 ( 0.000 -9.041 7.766) 11.919 26.283 ( 0.000 4.652 -3.159) 5.623 26.339 ( 0.000 -0.714 -4.981) 5.032 26.673 ( 0.000 3.364 -5.248) 6.234 26.734 ( 0.000 -2.417 -7.192) 7.587 ======================= Grid point 86 (35/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -4.049 13.173 3.412) 14.198 1.378 ( -0.505 -1.197 -3.221) 3.473 1.407 ( -3.141 9.753 2.647) 10.583 1.577 ( -1.336 3.456 1.251) 3.910 1.745 ( -0.501 -0.579 10.000) 10.029 1.934 ( -5.429 -12.405 3.772) 14.056 2.066 ( -13.592 6.808 5.496) 16.165 2.189 ( -12.052 -3.208 6.288) 13.967 2.247 ( -0.398 1.905 11.105) 11.274 2.321 ( -0.279 3.090 10.901) 11.334 2.409 ( -5.422 -6.807 8.366) 12.071 2.525 ( -3.089 -11.098 8.693) 14.432 2.924 ( 10.272 5.879 3.016) 12.214 2.985 ( 8.321 6.845 1.896) 10.940 3.027 ( 8.666 -3.297 2.859) 9.703 3.121 ( 7.130 -5.291 0.122) 8.880 3.369 ( 10.537 13.666 -1.922) 17.363 3.621 ( 9.951 -10.448 0.540) 14.439 3.835 ( 9.136 14.237 2.876) 17.159 4.049 ( 8.028 -1.736 4.024) 9.146 4.236 ( 2.778 -5.473 -1.204) 6.254 4.240 ( -2.140 -5.048 -1.914) 5.808 4.427 ( -8.608 -0.519 2.054) 8.865 4.499 ( -7.705 -6.145 -1.893) 10.035 4.869 ( 4.539 2.769 0.337) 5.328 4.927 ( 1.802 -2.434 -4.009) 5.025 5.246 ( 2.608 9.088 -8.578) 12.766 5.369 ( -1.415 -0.562 -8.724) 8.856 5.451 ( -3.093 0.392 -5.891) 6.666 5.551 ( -6.686 -5.973 -4.279) 9.934 5.676 ( -3.639 5.795 -4.702) 8.302 5.847 ( -2.592 -9.367 -2.386) 10.007 7.584 ( 4.163 8.096 -6.287) 11.064 7.688 ( 3.704 -2.437 -10.406) 11.311 8.067 ( -6.127 1.988 -14.982) 16.308 8.136 ( -5.622 -4.627 -9.979) 12.353 9.191 ( 2.481 3.020 5.636) 6.859 9.238 ( 2.552 -1.759 3.512) 4.684 9.408 ( -2.255 1.403 2.026) 3.340 9.449 ( -1.888 -2.684 3.735) 4.972 10.506 ( -1.786 3.328 1.198) 3.963 10.519 ( -1.306 1.996 0.611) 2.462 10.585 ( -0.330 -3.987 1.248) 4.191 10.590 ( 0.519 -4.063 1.046) 4.227 10.947 ( 1.393 -0.014 1.384) 1.963 10.957 ( 1.568 -0.928 1.027) 2.092 11.083 ( -1.590 1.034 3.276) 3.786 11.121 ( -1.750 -2.511 3.591) 4.718 11.219 ( 5.346 3.008 3.625) 7.125 11.290 ( 4.602 -3.664 2.290) 6.312 11.641 ( -3.887 3.854 1.992) 5.825 11.699 ( -4.120 -2.173 2.075) 5.100 13.931 ( 3.431 5.932 -0.912) 6.913 14.031 ( 3.524 -4.275 -2.910) 6.258 14.320 ( -5.687 4.035 -7.395) 10.164 14.360 ( -3.865 -0.480 -5.161) 6.466 22.593 ( 5.347 5.421 0.672) 7.644 22.701 ( 6.184 -5.354 -0.173) 8.182 22.906 ( -2.590 2.178 -0.943) 3.513 22.962 ( -0.496 -3.275 -0.911) 3.436 23.614 ( 4.403 3.208 8.153) 9.805 23.682 ( 5.499 -3.075 9.021) 11.003 24.040 ( -4.120 2.384 2.644) 5.445 24.121 ( -3.027 -5.083 0.039) 5.917 25.226 ( 2.002 1.400 6.704) 7.135 25.263 ( 2.616 -2.373 5.153) 6.247 25.431 ( -2.079 3.242 7.032) 8.017 25.551 ( -3.263 -8.491 7.486) 11.781 26.310 ( 2.623 4.713 -3.048) 6.195 26.363 ( 2.314 -0.138 -4.878) 5.401 26.632 ( -3.747 2.675 -4.564) 6.483 26.684 ( -4.399 -2.095 -6.423) 8.062 ======================= Grid point 87 (36/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.779 8.118 5.663) 11.462 1.304 ( -2.938 0.075 1.907) 3.503 1.386 ( -2.030 3.079 3.036) 4.777 1.460 ( -9.640 -3.453 4.070) 11.019 1.706 ( -1.050 10.623 8.373) 13.567 1.770 ( -6.937 3.642 2.610) 8.258 1.930 ( -0.158 -10.474 3.913) 11.182 1.977 ( -5.145 -13.068 6.508) 15.479 2.281 ( 2.480 2.826 9.000) 9.753 2.321 ( -0.886 3.543 9.450) 10.131 2.400 ( 2.693 -8.029 8.609) 12.076 2.469 ( -3.065 -9.703 9.339) 13.811 3.065 ( 3.504 5.505 0.500) 6.545 3.089 ( 1.687 6.163 -0.612) 6.419 3.150 ( 3.054 -2.832 1.424) 4.402 3.179 ( 0.071 -2.583 0.232) 2.595 3.696 ( 17.912 13.319 -4.956) 22.865 3.851 ( 11.969 -2.410 -0.877) 12.241 3.995 ( -2.249 14.065 -0.254) 14.246 4.066 ( -8.623 4.974 -3.744) 10.636 4.228 ( -2.563 -0.635 1.586) 3.080 4.262 ( -2.825 -2.648 2.578) 4.652 4.298 ( 6.621 -3.703 1.908) 7.822 4.400 ( -2.143 -11.621 -0.107) 11.817 4.954 ( 4.682 6.986 -1.227) 8.499 5.047 ( 10.361 -1.775 0.235) 10.515 5.143 ( -9.954 10.170 -1.637) 14.325 5.324 ( -11.972 -4.566 -2.851) 13.126 5.444 ( 7.619 -2.557 -8.102) 11.412 5.518 ( 6.515 -7.926 -7.462) 12.686 5.583 ( -5.103 2.154 -6.272) 8.367 5.718 ( -9.462 -10.105 -3.642) 14.315 7.705 ( 6.917 8.025 -9.683) 14.353 7.784 ( 3.536 2.640 -10.079) 11.003 7.925 ( -5.137 -1.943 -11.677) 12.904 7.991 ( -7.367 -5.967 -8.850) 12.969 9.257 ( 3.540 3.178 4.627) 6.637 9.300 ( 2.090 0.259 4.071) 4.584 9.353 ( -1.863 -0.692 3.087) 3.671 9.394 ( -3.169 -3.469 3.999) 6.170 10.480 ( -0.376 4.784 0.789) 4.863 10.491 ( -1.216 4.147 0.597) 4.363 10.581 ( 0.141 -5.584 1.150) 5.702 10.589 ( -0.448 -5.632 1.144) 5.764 10.987 ( 2.309 0.231 1.806) 2.940 11.004 ( 2.733 -1.341 1.728) 3.501 11.039 ( -2.370 0.505 2.227) 3.291 11.068 ( -3.047 -2.407 2.449) 4.591 11.363 ( 7.681 3.387 2.997) 8.914 11.418 ( 6.810 -1.689 1.976) 7.289 11.528 ( -6.292 2.339 2.715) 7.241 11.581 ( -6.829 -2.545 2.237) 7.624 14.033 ( 6.131 6.269 -2.366) 9.082 14.130 ( 5.555 -3.627 -3.142) 7.340 14.178 ( -7.257 5.616 -4.579) 10.256 14.254 ( -5.870 -2.362 -3.903) 7.435 22.719 ( 5.973 5.979 -1.045) 8.516 22.813 ( -0.101 2.133 -1.745) 2.757 22.856 ( 1.446 -3.541 -1.446) 4.089 22.929 ( -2.742 -5.338 -1.590) 6.208 23.739 ( 7.030 5.284 6.481) 10.924 23.820 ( 4.885 0.803 4.946) 6.997 23.935 ( -3.584 -2.104 4.625) 6.218 24.022 ( -6.289 -7.113 2.020) 9.707 25.283 ( 3.246 2.404 6.244) 7.437 25.328 ( 1.751 0.645 5.725) 6.021 25.385 ( -0.531 -2.435 6.905) 7.341 25.461 ( -4.955 -7.242 6.965) 11.203 26.387 ( 4.406 5.509 -3.312) 7.793 26.427 ( 2.765 3.214 -5.008) 6.562 26.538 ( -3.817 -0.580 -3.139) 4.976 26.575 ( -5.275 -2.570 -4.852) 7.614 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 0.000 18.574) 18.574 1.162 ( 0.000 0.000 -2.031) 2.031 1.307 ( 0.000 0.000 -1.343) 1.343 1.345 ( 0.000 0.000 17.264) 17.264 1.705 ( 0.000 0.000 22.846) 22.846 1.883 ( 0.000 0.000 -1.465) 1.465 2.206 ( 0.000 0.000 20.697) 20.697 2.232 ( 0.000 0.000 12.420) 12.420 2.332 ( 0.000 0.000 0.489) 0.489 2.495 ( 0.000 0.000 1.840) 1.840 2.585 ( 0.000 0.000 -10.946) 10.946 2.632 ( 0.000 0.000 6.297) 6.297 2.732 ( 0.000 0.000 5.730) 5.730 3.053 ( 0.000 0.000 6.883) 6.883 3.189 ( 0.000 0.000 -1.097) 1.097 3.425 ( 0.000 0.000 -6.048) 6.048 3.566 ( 0.000 0.000 8.654) 8.654 3.682 ( 0.000 0.000 9.334) 9.334 3.861 ( 0.000 0.000 -1.766) 1.766 3.872 ( 0.000 0.000 3.782) 3.782 4.433 ( 0.000 0.000 -2.946) 2.946 4.478 ( 0.000 0.000 -5.776) 5.776 4.623 ( 0.000 0.000 -8.879) 8.879 4.651 ( 0.000 0.000 -8.017) 8.017 4.659 ( 0.000 0.000 2.073) 2.073 4.699 ( 0.000 0.000 -8.625) 8.625 5.077 ( 0.000 0.000 -3.206) 3.206 5.289 ( 0.000 0.000 -3.701) 3.701 5.391 ( 0.000 0.000 1.429) 1.429 5.470 ( 0.000 0.000 -4.795) 4.795 5.688 ( 0.000 0.000 -10.306) 10.306 6.061 ( 0.000 0.000 -2.155) 2.155 7.067 ( 0.000 0.000 -0.224) 0.224 7.280 ( 0.000 0.000 -16.804) 16.804 7.812 ( 0.000 0.000 -9.729) 9.729 8.233 ( 0.000 0.000 -6.973) 6.973 9.240 ( 0.000 0.000 11.363) 11.363 9.264 ( 0.000 0.000 0.698) 0.698 9.382 ( 0.000 0.000 -0.766) 0.766 9.667 ( 0.000 0.000 3.419) 3.419 10.524 ( 0.000 0.000 1.659) 1.659 10.618 ( 0.000 0.000 0.198) 0.198 10.627 ( 0.000 0.000 0.293) 0.293 10.808 ( 0.000 0.000 -1.843) 1.843 11.053 ( 0.000 0.000 2.741) 2.741 11.080 ( 0.000 0.000 4.655) 4.655 11.169 ( 0.000 0.000 2.715) 2.715 11.186 ( 0.000 0.000 -2.511) 2.511 11.204 ( 0.000 0.000 2.725) 2.725 11.434 ( 0.000 0.000 4.498) 4.498 11.684 ( 0.000 0.000 0.426) 0.426 11.717 ( 0.000 0.000 -7.147) 7.147 13.726 ( 0.000 0.000 7.409) 7.409 13.833 ( 0.000 0.000 3.328) 3.328 14.024 ( 0.000 0.000 -3.484) 3.484 14.309 ( 0.000 0.000 -3.737) 3.737 22.442 ( 0.000 0.000 4.356) 4.356 22.809 ( 0.000 0.000 0.327) 0.327 22.981 ( 0.000 0.000 -1.910) 1.910 23.012 ( 0.000 0.000 -1.858) 1.858 23.599 ( 0.000 0.000 5.329) 5.329 23.773 ( 0.000 0.000 5.528) 5.528 24.208 ( 0.000 0.000 -2.936) 2.936 24.228 ( 0.000 0.000 -3.123) 3.123 25.302 ( 0.000 0.000 7.120) 7.120 25.424 ( 0.000 0.000 2.166) 2.166 25.788 ( 0.000 0.000 0.311) 0.311 25.954 ( 0.000 0.000 -2.859) 2.859 26.115 ( 0.000 0.000 1.517) 1.517 26.357 ( 0.000 0.000 -4.103) 4.103 26.396 ( 0.000 0.000 2.940) 2.940 26.514 ( 0.000 0.000 0.099) 0.099 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.271 0.000 14.247) 14.249 1.162 ( 0.352 0.000 -2.808) 2.830 1.266 ( -1.946 0.000 -1.117) 2.244 1.481 ( 10.350 0.000 14.450) 17.774 1.942 ( -0.897 0.000 8.919) 8.964 1.976 ( 5.211 0.000 0.819) 5.275 2.119 ( 9.297 0.000 21.893) 23.785 2.337 ( 6.679 0.000 12.135) 13.852 2.341 ( 1.473 0.000 0.528) 1.565 2.502 ( -0.303 0.000 -0.623) 0.692 2.528 ( -1.810 0.000 -2.224) 2.868 2.662 ( 4.997 0.000 7.394) 8.924 2.852 ( 6.894 0.000 1.412) 7.037 3.080 ( 2.410 0.000 6.497) 6.930 3.177 ( -1.306 0.000 -1.154) 1.743 3.403 ( -2.531 0.000 -3.862) 4.617 3.415 ( -9.140 0.000 6.918) 11.462 3.654 ( -8.186 0.000 3.648) 8.962 3.792 ( 1.155 0.000 5.464) 5.584 3.996 ( 5.827 0.000 2.585) 6.375 4.254 ( -8.708 0.000 -0.108) 8.709 4.432 ( -11.491 0.000 -7.488) 13.715 4.526 ( -5.392 0.000 -0.347) 5.403 4.551 ( -3.758 0.000 1.811) 4.172 4.568 ( -9.932 0.000 -7.939) 12.715 4.762 ( 5.125 0.000 -11.568) 12.652 5.130 ( -3.685 0.000 -2.428) 4.413 5.391 ( 8.284 0.000 -3.978) 9.190 5.404 ( 6.542 0.000 -2.721) 7.085 5.560 ( 6.027 0.000 -5.631) 8.249 5.703 ( 3.208 0.000 -5.840) 6.663 6.119 ( 2.905 0.000 -3.398) 4.471 7.016 ( -2.434 0.000 -7.018) 7.428 7.283 ( -2.163 0.000 -16.482) 16.623 7.848 ( 4.308 0.000 -5.990) 7.378 8.215 ( -2.063 0.000 -5.467) 5.843 9.205 ( -0.802 0.000 5.122) 5.184 9.305 ( -0.254 0.000 2.567) 2.579 9.412 ( 4.456 0.000 2.827) 5.277 9.672 ( 0.205 0.000 3.604) 3.610 10.431 ( -7.339 0.000 2.282) 7.686 10.477 ( -5.203 0.000 0.505) 5.227 10.771 ( 5.391 0.000 -0.626) 5.427 10.834 ( 1.926 0.000 -1.397) 2.380 11.069 ( 1.683 0.000 2.327) 2.872 11.084 ( 0.402 0.000 4.569) 4.587 11.148 ( -1.275 0.000 3.121) 3.371 11.211 ( 1.484 0.000 -2.714) 3.093 11.259 ( 4.474 0.000 1.269) 4.650 11.422 ( -0.318 0.000 4.863) 4.873 11.655 ( -2.813 0.000 0.622) 2.880 11.658 ( -5.202 0.000 -5.648) 7.678 13.724 ( 0.000 0.000 6.416) 6.416 13.812 ( -1.731 0.000 2.985) 3.450 14.068 ( 3.610 0.000 -2.674) 4.493 14.289 ( -1.842 0.000 -3.440) 3.902 22.466 ( 2.326 0.000 3.349) 4.077 22.772 ( -4.717 0.000 -0.868) 4.796 22.948 ( 2.091 0.000 -0.407) 2.130 23.087 ( 2.485 0.000 -3.732) 4.483 23.644 ( 3.703 0.000 5.292) 6.459 23.773 ( -0.037 0.000 5.412) 5.413 24.184 ( -1.148 0.000 -2.224) 2.503 24.235 ( -0.086 0.000 -3.928) 3.929 25.328 ( 2.402 0.000 7.190) 7.581 25.439 ( 0.982 0.000 3.030) 3.185 25.798 ( 0.955 0.000 0.234) 0.983 25.924 ( -2.340 0.000 -1.715) 2.901 26.152 ( 2.988 0.000 0.143) 2.992 26.339 ( -1.656 0.000 -3.788) 4.134 26.381 ( -1.218 0.000 2.746) 3.004 26.465 ( -4.038 0.000 1.082) 4.180 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.649 0.000 -3.749) 4.096 1.203 ( 18.261 0.000 3.159) 18.532 1.224 ( -2.062 0.000 -3.616) 4.163 1.628 ( -20.089 0.000 0.973) 20.112 1.735 ( 12.693 0.000 12.146) 17.568 1.958 ( -7.126 0.000 7.204) 10.133 2.371 ( 7.428 0.000 16.439) 18.040 2.402 ( 3.445 0.000 0.178) 3.449 2.466 ( -2.654 0.000 -0.344) 2.676 2.480 ( -2.486 0.000 5.262) 5.820 2.623 ( 16.294 0.000 7.025) 17.744 2.887 ( -6.351 0.000 2.136) 6.700 2.888 ( 14.397 0.000 1.014) 14.432 3.108 ( -4.520 0.000 -2.575) 5.202 3.160 ( 3.624 0.000 6.688) 7.607 3.294 ( -7.792 0.000 3.411) 8.506 3.317 ( 2.366 0.000 4.093) 4.728 3.458 ( -8.955 0.000 3.335) 9.556 3.857 ( 4.917 0.000 5.166) 7.132 3.982 ( -5.810 0.000 5.610) 8.077 4.223 ( 4.033 0.000 0.418) 4.054 4.263 ( -2.677 0.000 -7.775) 8.223 4.342 ( -9.170 0.000 -7.437) 11.807 4.353 ( -8.534 0.000 1.381) 8.645 4.540 ( 3.784 0.000 3.415) 5.097 4.701 ( -9.480 0.000 -0.295) 9.484 5.194 ( 10.335 0.000 -9.626) 14.123 5.402 ( -7.234 0.000 -11.518) 13.601 5.560 ( 6.636 0.000 -4.550) 8.046 5.635 ( 0.091 0.000 -5.182) 5.183 5.902 ( 12.538 0.000 0.022) 12.538 6.101 ( -5.373 0.000 -2.259) 5.828 7.031 ( 4.246 0.000 -14.626) 15.230 7.168 ( -7.565 0.000 -17.841) 19.379 7.986 ( 7.800 0.000 -2.091) 8.075 8.134 ( -5.735 0.000 -2.780) 6.373 9.215 ( 1.622 0.000 2.537) 3.011 9.264 ( -2.657 0.000 1.116) 2.882 9.542 ( 6.603 0.000 5.355) 8.502 9.649 ( -3.070 0.000 4.605) 5.534 10.330 ( -1.436 0.000 1.807) 2.309 10.369 ( -4.384 0.000 0.491) 4.411 10.848 ( 2.164 0.000 -0.800) 2.307 10.864 ( 0.558 0.000 -1.030) 1.171 11.097 ( 0.874 0.000 4.168) 4.259 11.120 ( -1.311 0.000 3.536) 3.771 11.125 ( 3.542 0.000 1.257) 3.758 11.199 ( -2.795 0.000 -0.834) 2.917 11.377 ( 6.519 0.000 -0.815) 6.570 11.463 ( 4.335 0.000 3.208) 5.393 11.523 ( -7.133 0.000 -3.023) 7.747 11.570 ( -5.068 0.000 1.380) 5.252 13.736 ( 1.193 0.000 4.632) 4.783 13.771 ( -2.001 0.000 3.353) 3.905 14.153 ( 4.191 0.000 -2.302) 4.782 14.234 ( -3.343 0.000 -2.773) 4.343 22.539 ( 4.577 0.000 1.329) 4.766 22.651 ( -5.915 0.000 -0.222) 5.919 23.028 ( 4.185 0.000 -2.248) 4.751 23.093 ( -1.689 0.000 -3.738) 4.102 23.720 ( 3.000 0.000 5.480) 6.247 23.763 ( -1.122 0.000 5.355) 5.471 24.183 ( 1.125 0.000 -2.868) 3.081 24.217 ( -1.569 0.000 -3.940) 4.241 25.392 ( 3.238 0.000 6.845) 7.572 25.442 ( -1.110 0.000 5.155) 5.273 25.828 ( 1.805 0.000 -0.033) 1.805 25.872 ( -2.408 0.000 -0.609) 2.483 26.222 ( 3.482 0.000 -1.569) 3.819 26.290 ( -2.912 0.000 -2.901) 4.110 26.360 ( -0.353 0.000 2.389) 2.415 26.384 ( -2.838 0.000 2.071) 3.513 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 1.251 11.442) 11.510 1.216 ( 0.000 3.910 3.555) 5.284 1.252 ( 0.000 -3.732 14.961) 15.419 1.378 ( 0.000 5.969 2.380) 6.426 1.893 ( 0.000 14.380 14.523) 20.438 1.995 ( 0.000 9.202 -1.723) 9.362 2.240 ( 0.000 3.602 19.593) 19.922 2.272 ( 0.000 4.157 13.281) 13.917 2.328 ( 0.000 -0.421 1.532) 1.589 2.472 ( 0.000 -4.848 -3.442) 5.946 2.570 ( 0.000 2.603 3.316) 4.216 2.689 ( 0.000 -3.057 6.307) 7.009 2.703 ( 0.000 4.705 -1.856) 5.057 3.018 ( 0.000 -3.456 6.361) 7.239 3.157 ( 0.000 -3.342 0.194) 3.348 3.432 ( 0.000 0.108 -3.416) 3.418 3.501 ( 0.000 -6.079 7.192) 9.416 3.542 ( 0.000 -11.919 5.969) 13.330 3.852 ( 0.000 -1.214 -2.297) 2.599 3.915 ( 0.000 3.940 3.052) 4.983 4.316 ( 0.000 -7.330 0.054) 7.331 4.414 ( 0.000 -3.555 -6.692) 7.578 4.635 ( 0.000 -0.692 1.096) 1.296 4.656 ( 0.000 -0.238 -5.448) 5.453 4.800 ( 0.000 9.850 -8.992) 13.338 4.858 ( 0.000 13.890 -7.370) 15.724 4.933 ( 0.000 -11.066 -3.308) 11.550 5.209 ( 0.000 -12.111 2.202) 12.310 5.339 ( 0.000 2.419 -3.817) 4.519 5.559 ( 0.000 1.953 -2.761) 3.381 5.619 ( 0.000 -5.003 -12.492) 13.456 6.023 ( 0.000 -3.731 -3.344) 5.010 7.160 ( 0.000 8.770 0.326) 8.776 7.312 ( 0.000 3.097 -15.226) 15.538 7.801 ( 0.000 -1.027 -10.808) 10.857 8.206 ( 0.000 -2.868 -7.474) 8.005 9.254 ( 0.000 1.264 10.911) 10.984 9.265 ( 0.000 0.179 1.108) 1.122 9.387 ( 0.000 0.580 -0.825) 1.009 9.646 ( 0.000 -2.022 3.188) 3.775 10.526 ( 0.000 0.200 1.668) 1.680 10.611 ( 0.000 -0.622 0.234) 0.665 10.618 ( 0.000 -0.883 0.584) 1.059 10.769 ( 0.000 -3.623 -1.106) 3.788 11.039 ( 0.000 -1.617 3.635) 3.979 11.089 ( 0.000 -5.453 0.955) 5.536 11.089 ( 0.000 1.331 3.060) 3.337 11.166 ( 0.000 0.167 3.937) 3.941 11.266 ( 0.000 2.253 0.749) 2.374 11.497 ( 0.000 5.480 3.273) 6.383 11.542 ( 0.000 -9.271 -1.465) 9.386 11.773 ( 0.000 1.695 -2.290) 2.849 13.797 ( 0.000 3.735 6.662) 7.637 13.894 ( 0.000 7.831 -1.589) 7.991 14.014 ( 0.000 -1.008 -3.480) 3.623 14.308 ( 0.000 -0.110 -4.023) 4.025 22.458 ( 0.000 1.609 4.132) 4.434 22.792 ( 0.000 -1.815 0.621) 1.918 22.961 ( 0.000 -1.816 -1.705) 2.491 22.996 ( 0.000 -1.495 -2.384) 2.814 23.613 ( 0.000 1.476 5.893) 6.075 23.782 ( 0.000 0.892 5.372) 5.446 24.189 ( 0.000 -1.890 -1.709) 2.548 24.215 ( 0.000 -1.214 -2.862) 3.109 25.314 ( 0.000 1.252 7.178) 7.286 25.401 ( 0.000 -1.988 2.836) 3.463 25.743 ( 0.000 -5.313 4.508) 6.968 25.995 ( 0.000 2.752 -0.493) 2.796 26.084 ( 0.000 -0.246 0.508) 0.564 26.206 ( 0.000 -8.360 -2.380) 8.692 26.497 ( 0.000 4.370 -1.047) 4.494 26.569 ( 0.000 3.771 -2.668) 4.620 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.20 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.486 3.947 10.152) 10.903 1.245 ( 2.066 7.140 -1.860) 7.662 1.329 ( -3.295 5.208 -0.487) 6.182 1.375 ( 9.589 -7.097 18.024) 21.614 1.923 ( 1.253 0.242 3.641) 3.858 2.008 ( -10.215 1.336 3.735) 10.959 2.204 ( 7.513 5.923 16.356) 18.948 2.340 ( 2.517 -0.466 3.218) 4.112 2.406 ( 4.253 1.047 10.074) 10.985 2.498 ( 4.906 6.105 3.807) 8.708 2.626 ( -2.224 5.231 -2.453) 6.190 2.660 ( 9.030 1.145 4.337) 10.083 2.827 ( 7.492 -0.738 2.654) 7.983 3.011 ( -1.490 -6.666 5.738) 8.921 3.142 ( -1.683 -3.561 1.100) 4.090 3.361 ( -6.303 -4.818 5.575) 9.697 3.410 ( -2.637 -0.807 -0.803) 2.872 3.541 ( -4.135 -6.921 0.350) 8.070 3.801 ( 0.617 0.667 4.048) 4.148 4.035 ( 5.774 3.836 1.126) 7.023 4.176 ( -6.875 -5.236 1.930) 8.855 4.474 ( -1.560 -1.167 -2.675) 3.310 4.528 ( -6.706 -0.931 1.108) 6.861 4.606 ( -10.464 11.743 -6.622) 17.065 4.636 ( -3.355 2.338 -7.889) 8.886 4.879 ( 0.475 11.077 -8.425) 13.925 5.005 ( -1.870 -11.190 -1.523) 11.447 5.240 ( 6.979 -9.806 -1.299) 12.106 5.446 ( 8.398 0.049 -3.494) 9.096 5.581 ( 0.590 0.447 -6.687) 6.728 5.625 ( 3.419 -7.031 -6.304) 10.043 6.071 ( 2.078 -4.795 -4.090) 6.637 7.101 ( -2.631 7.972 -7.004) 10.933 7.333 ( -1.180 4.910 -14.335) 15.198 7.827 ( 3.483 -2.122 -6.898) 8.014 8.183 ( -2.449 -3.317 -6.077) 7.343 9.220 ( -0.557 1.392 4.746) 4.977 9.316 ( 0.255 1.088 3.368) 3.549 9.406 ( 3.644 -0.506 2.416) 4.401 9.649 ( -0.027 -2.307 3.476) 4.172 10.443 ( -6.486 1.233 2.175) 6.951 10.483 ( -4.725 0.636 0.665) 4.813 10.749 ( 4.783 -2.229 -0.354) 5.289 10.793 ( 1.743 -3.905 -0.645) 4.325 11.052 ( 1.064 -1.974 3.506) 4.162 11.063 ( 0.281 -1.771 2.000) 2.686 11.128 ( 0.104 -1.452 2.178) 2.620 11.203 ( 4.447 -0.114 2.499) 5.102 11.274 ( -0.056 1.637 0.883) 1.861 11.465 ( -1.739 -0.684 1.204) 2.223 11.532 ( -1.308 -2.422 0.722) 2.846 11.733 ( -3.586 2.019 -1.560) 4.401 13.785 ( -0.585 3.866 5.237) 6.536 13.873 ( -1.876 7.090 -0.680) 7.366 14.059 ( 3.697 -0.899 -2.700) 4.666 14.287 ( -1.918 -0.200 -3.736) 4.204 22.484 ( 2.478 1.815 3.122) 4.380 22.773 ( -3.501 0.095 -0.897) 3.615 22.926 ( 1.582 -2.175 -0.515) 2.739 23.058 ( 2.120 -2.746 -3.513) 4.938 23.656 ( 3.540 1.262 5.751) 6.870 23.786 ( 0.288 1.364 5.132) 5.318 24.164 ( -1.326 -2.049 -1.205) 2.722 24.220 ( -0.247 -1.487 -3.308) 3.635 25.333 ( 1.831 0.643 7.048) 7.310 25.416 ( 1.037 -1.824 3.386) 3.984 25.759 ( 1.640 -5.115 4.427) 6.960 25.959 ( -2.755 1.834 1.102) 3.489 26.112 ( 1.880 -0.345 -0.997) 2.156 26.192 ( -1.216 -7.596 -2.530) 8.098 26.484 ( -1.126 4.502 -1.032) 4.754 26.530 ( -3.133 4.189 -1.605) 5.472 ======================= Grid point 112 (42/72) ======================= q-point: ( 0.40 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 8.158 -0.237 0.966) 8.219 1.252 ( -3.761 2.775 -1.876) 5.036 1.348 ( 9.001 8.317 -0.995) 12.296 1.556 ( 0.849 -4.538 10.147) 11.148 1.752 ( -6.266 1.097 4.248) 7.649 1.861 ( -6.875 -6.641 8.172) 12.576 2.347 ( 4.496 -4.298 1.525) 6.404 2.400 ( -0.180 -4.422 3.899) 5.898 2.456 ( 4.669 4.301 12.886) 14.365 2.555 ( -3.841 2.179 3.387) 5.565 2.653 ( 8.760 1.480 5.050) 10.219 2.848 ( -7.741 -4.506 3.085) 9.474 2.935 ( 9.729 2.877 -2.386) 10.422 3.022 ( 3.007 -3.184 1.664) 4.685 3.113 ( 3.769 -2.123 6.774) 8.037 3.297 ( -5.788 -0.268 1.163) 5.909 3.343 ( 1.637 1.415 4.411) 4.913 3.442 ( -5.359 1.257 -0.469) 5.524 3.865 ( 5.173 0.983 4.271) 6.780 3.990 ( -5.896 1.028 4.960) 7.773 4.209 ( 5.079 0.282 -0.341) 5.098 4.335 ( -7.579 0.757 -0.786) 7.657 4.408 ( -2.053 8.172 -3.524) 9.134 4.485 ( -5.977 10.533 -6.259) 13.632 4.547 ( 1.430 2.875 2.167) 3.874 4.711 ( -11.957 0.615 1.971) 12.134 5.133 ( 11.677 -5.205 -9.893) 16.165 5.332 ( -4.233 -6.263 -10.834) 13.211 5.532 ( 3.799 -3.100 -5.168) 7.124 5.599 ( -0.765 -3.686 -5.184) 6.407 5.822 ( 12.746 -7.589 -0.274) 14.837 6.034 ( -6.217 -6.481 -2.595) 9.348 7.112 ( 3.856 7.671 -13.779) 16.235 7.236 ( -6.775 6.582 -16.346) 18.879 7.950 ( 7.322 -3.618 -2.823) 8.642 8.095 ( -5.895 -3.958 -3.531) 7.930 9.233 ( 1.666 1.736 2.603) 3.545 9.280 ( -2.507 1.633 1.381) 3.295 9.524 ( 6.078 -1.811 5.229) 8.220 9.623 ( -2.952 -2.555 4.507) 5.962 10.354 ( -1.328 2.345 1.808) 3.245 10.387 ( -3.848 1.766 0.729) 4.296 10.814 ( 1.589 -3.444 -0.331) 3.807 10.822 ( 0.681 -4.106 -0.299) 4.172 11.070 ( 1.054 -1.975 2.929) 3.687 11.089 ( -0.016 -1.650 1.146) 2.009 11.136 ( 2.679 -0.827 3.167) 4.230 11.223 ( -4.251 0.391 1.131) 4.416 11.322 ( 5.863 -1.532 1.186) 6.175 11.428 ( -3.611 -3.697 -0.790) 5.228 11.532 ( 3.234 3.269 2.102) 5.056 11.634 ( -5.445 2.474 -0.033) 5.981 13.789 ( 1.085 4.506 3.148) 5.602 13.826 ( -2.263 5.651 1.156) 6.196 14.147 ( 4.308 -0.724 -2.467) 5.016 14.230 ( -3.474 -0.451 -3.042) 4.640 22.559 ( 4.574 2.018 1.102) 5.119 22.667 ( -5.549 1.653 -0.448) 5.807 23.001 ( 4.039 -2.755 -2.190) 5.358 23.063 ( -1.573 -3.003 -3.508) 4.879 23.732 ( 3.203 1.286 5.637) 6.610 23.780 ( -1.245 1.781 5.116) 5.559 24.160 ( 1.177 -2.318 -1.855) 3.194 24.198 ( -1.807 -1.952 -3.115) 4.096 25.383 ( 2.536 -0.597 6.429) 6.937 25.422 ( -0.842 -1.490 4.928) 5.216 25.814 ( 3.427 -3.640 3.909) 6.346 25.891 ( -3.651 -0.578 2.848) 4.667 26.144 ( 1.084 -1.819 -2.457) 3.244 26.165 ( -1.125 -4.915 -2.785) 5.760 26.461 ( -0.683 4.773 -0.733) 4.877 26.472 ( -1.820 4.572 -0.395) 4.937 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 6.678 1.771) 6.909 1.211 ( 0.000 1.962 15.978) 16.098 1.359 ( 0.000 7.867 -0.878) 7.916 1.512 ( 0.000 7.483 5.053) 9.030 2.055 ( 0.000 -5.435 4.381) 6.981 2.143 ( 0.000 7.899 2.381) 8.250 2.321 ( 0.000 -1.378 5.185) 5.365 2.338 ( 0.000 2.216 3.400) 4.058 2.396 ( 0.000 11.534 9.227) 14.770 2.428 ( 0.000 4.149 12.281) 12.963 2.628 ( 0.000 2.198 2.709) 3.488 2.683 ( 0.000 3.561 8.095) 8.844 2.782 ( 0.000 3.195 -1.163) 3.400 2.927 ( 0.000 -5.488 5.096) 7.489 3.062 ( 0.000 -5.992 4.906) 7.744 3.245 ( 0.000 -12.448 6.038) 13.835 3.372 ( 0.000 -5.853 3.123) 6.634 3.524 ( 0.000 6.079 -2.071) 6.422 3.758 ( 0.000 -8.934 -2.099) 9.177 4.005 ( 0.000 4.944 1.109) 5.067 4.228 ( 0.000 -1.407 1.202) 1.850 4.324 ( 0.000 -8.147 -3.062) 8.703 4.614 ( 0.000 -1.817 -0.305) 1.843 4.644 ( 0.000 -0.744 -6.336) 6.379 4.728 ( 0.000 -5.990 -3.067) 6.730 4.969 ( 0.000 -8.406 5.085) 9.824 5.009 ( 0.000 9.148 -5.585) 10.718 5.121 ( 0.000 8.092 -7.016) 10.710 5.357 ( 0.000 0.193 -5.410) 5.414 5.466 ( 0.000 -4.138 -9.509) 10.371 5.601 ( 0.000 -1.399 -7.685) 7.812 5.919 ( 0.000 -6.955 -5.728) 9.010 7.362 ( 0.000 10.431 1.684) 10.566 7.389 ( 0.000 4.462 -11.427) 12.268 7.780 ( 0.000 -0.535 -13.728) 13.738 8.120 ( 0.000 -5.963 -8.725) 10.568 9.272 ( 0.000 0.553 2.234) 2.302 9.281 ( 0.000 1.216 9.314) 9.393 9.408 ( 0.000 1.674 -0.566) 1.767 9.593 ( 0.000 -3.332 2.592) 4.221 10.533 ( 0.000 0.587 1.570) 1.676 10.595 ( 0.000 -1.045 0.388) 1.115 10.598 ( 0.000 -0.931 1.244) 1.554 10.687 ( 0.000 -4.258 0.410) 4.278 11.002 ( 0.000 -3.117 2.110) 3.764 11.004 ( 0.000 -1.675 3.283) 3.686 11.120 ( 0.000 1.587 1.335) 2.074 11.187 ( 0.000 2.114 5.919) 6.285 11.279 ( 0.000 -1.121 2.271) 2.533 11.377 ( 0.000 -6.744 0.349) 6.753 11.611 ( 0.000 5.666 1.669) 5.907 11.785 ( 0.000 -0.288 -0.771) 0.823 13.848 ( 0.000 2.340 3.595) 4.290 13.986 ( 0.000 -1.883 -3.136) 3.658 14.081 ( 0.000 9.115 -6.456) 11.169 14.302 ( 0.000 -0.520 -4.944) 4.971 22.504 ( 0.000 3.113 3.530) 4.706 22.740 ( 0.000 -3.446 1.304) 3.685 22.923 ( 0.000 -1.652 -1.713) 2.380 22.959 ( 0.000 -2.172 -3.212) 3.877 23.658 ( 0.000 3.138 6.981) 7.654 23.801 ( 0.000 0.691 5.291) 5.335 24.143 ( 0.000 -2.372 0.594) 2.445 24.182 ( 0.000 -2.083 -2.038) 2.914 25.351 ( 0.000 2.248 7.883) 8.198 25.364 ( 0.000 -1.404 4.528) 4.741 25.615 ( 0.000 -5.811 7.757) 9.692 25.922 ( 0.000 -9.824 5.747) 11.381 26.136 ( 0.000 4.505 -1.796) 4.850 26.170 ( 0.000 3.979 -6.930) 7.991 26.554 ( 0.000 1.663 -2.464) 2.973 26.616 ( 0.000 0.814 -4.977) 5.043 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.20 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.429 6.968 4.174) 8.247 1.293 ( 6.244 1.270 14.182) 15.548 1.367 ( 1.117 3.783 -2.404) 4.620 1.475 ( -2.049 9.296 5.189) 10.841 1.965 ( -7.653 -2.646 -0.221) 8.100 2.016 ( -10.133 5.433 5.803) 12.879 2.219 ( -2.216 -6.010 6.630) 9.219 2.353 ( -1.026 1.776 7.037) 7.330 2.391 ( 2.732 -0.259 8.599) 9.026 2.546 ( -0.733 -3.764 5.252) 6.503 2.615 ( -0.736 -0.212 4.948) 5.007 2.833 ( 3.499 -5.192 4.793) 7.885 2.879 ( 9.572 8.430 0.229) 12.757 2.905 ( 6.658 8.592 3.636) 11.462 3.055 ( -1.180 -3.714 4.170) 5.708 3.250 ( 0.357 -6.629 3.210) 7.374 3.297 ( -2.344 -5.500 2.921) 6.654 3.595 ( 4.039 9.859 -3.593) 11.244 3.787 ( 2.939 -3.274 2.003) 4.834 4.085 ( 2.490 -1.259 1.904) 3.378 4.137 ( -0.468 3.821 0.310) 3.862 4.429 ( 1.250 -5.287 -0.411) 5.448 4.491 ( -7.759 -3.164 -0.335) 8.386 4.648 ( 2.246 -3.628 -9.815) 10.702 4.749 ( -2.498 -4.520 -0.104) 5.166 4.875 ( -6.001 9.675 -3.598) 11.940 5.064 ( 9.084 -4.846 -0.153) 10.297 5.123 ( -5.094 9.392 -5.153) 11.862 5.407 ( 7.012 -4.830 -3.404) 9.170 5.476 ( -0.356 -4.276 -10.472) 11.317 5.556 ( -2.873 -3.823 -5.514) 7.299 5.942 ( 0.246 -8.175 -5.442) 9.824 7.284 ( -2.316 9.731 -7.345) 12.410 7.461 ( 1.149 7.594 -8.399) 11.382 7.773 ( 0.710 -3.007 -9.981) 10.449 8.086 ( -3.294 -6.559 -7.626) 10.585 9.255 ( 0.190 2.046 4.147) 4.628 9.340 ( 2.457 0.882 5.979) 6.524 9.400 ( 0.415 0.346 0.470) 0.716 9.588 ( -0.594 -3.752 3.050) 4.871 10.479 ( -4.352 2.429 1.890) 5.331 10.503 ( -3.347 1.421 1.057) 3.786 10.688 ( 3.085 -3.767 0.394) 4.886 10.702 ( 1.073 -4.969 0.758) 5.140 11.009 ( 0.833 -2.183 2.615) 3.507 11.020 ( 1.498 -1.924 2.201) 3.285 11.116 ( -0.841 0.141 1.648) 1.856 11.225 ( 2.806 1.167 5.232) 6.050 11.275 ( -0.802 -1.673 1.355) 2.297 11.379 ( 1.532 -2.878 0.566) 3.309 11.595 ( -1.537 4.376 2.018) 5.058 11.747 ( -3.486 -0.389 -0.384) 3.529 13.852 ( 0.719 3.383 2.401) 4.210 14.021 ( 1.339 0.940 -3.957) 4.281 14.053 ( -0.873 5.662 -3.792) 6.871 14.279 ( -2.226 -0.786 -4.615) 5.184 22.536 ( 2.895 3.474 2.506) 5.171 22.767 ( 0.808 -1.250 -0.491) 1.567 22.877 ( -1.100 -2.068 -1.085) 2.581 22.991 ( 1.020 -3.786 -3.227) 5.078 23.697 ( 3.289 2.952 6.624) 7.963 23.820 ( 1.569 1.732 4.713) 5.261 24.113 ( -2.062 -2.785 0.992) 3.604 24.179 ( -0.841 -2.704 -1.876) 3.396 25.353 ( 0.788 0.991 6.859) 6.975 25.392 ( 1.661 -0.018 4.873) 5.149 25.622 ( 0.905 -7.006 7.904) 10.601 25.876 ( -4.023 -9.532 5.691) 11.809 26.159 ( 1.746 4.492 -2.470) 5.416 26.184 ( 1.296 5.041 -5.971) 7.921 26.538 ( -1.365 1.187 -2.213) 2.858 26.581 ( -2.993 0.826 -4.040) 5.095 ======================= Grid point 117 (45/72) ======================= q-point: ( 0.40 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.905 4.249 3.166) 7.220 1.290 ( -4.671 2.180 2.092) 5.563 1.490 ( 7.067 3.781 -1.479) 8.151 1.521 ( 7.145 1.775 13.106) 15.032 1.759 ( -10.064 0.005 -0.297) 10.068 1.795 ( -10.147 0.128 9.212) 13.705 2.230 ( 2.619 -8.532 4.734) 10.102 2.302 ( -3.589 -6.446 5.012) 8.919 2.442 ( 2.257 -3.685 6.347) 7.678 2.494 ( -2.797 -5.154 4.611) 7.460 2.639 ( 3.167 -2.731 5.607) 6.994 2.738 ( -5.791 -5.424 4.046) 8.906 2.991 ( 2.658 3.993 2.468) 5.394 3.021 ( -1.231 1.418 2.607) 3.212 3.211 ( 7.931 6.109 1.209) 10.084 3.260 ( 0.323 -3.303 0.442) 3.348 3.359 ( 10.981 5.282 0.891) 12.218 3.603 ( -6.353 13.822 -4.546) 15.877 3.887 ( 6.793 0.636 3.042) 7.470 4.022 ( -4.368 2.064 3.833) 6.166 4.228 ( 2.262 1.501 -0.292) 2.731 4.332 ( -7.295 -1.023 0.111) 7.367 4.431 ( 7.048 -4.082 1.566) 8.293 4.627 ( -6.911 -6.411 -0.726) 9.454 4.704 ( -0.268 10.477 -3.434) 11.028 4.770 ( -6.387 12.380 -3.684) 14.410 5.083 ( 6.269 1.818 -5.951) 8.833 5.216 ( -0.388 -3.742 -8.510) 9.304 5.441 ( 0.371 -5.984 -6.092) 8.547 5.496 ( -2.353 -6.279 -5.273) 8.530 5.635 ( 12.237 -10.907 -0.904) 16.417 5.866 ( -7.992 -10.355 -3.040) 13.429 7.297 ( 3.522 10.601 -11.987) 16.386 7.403 ( -5.433 10.004 -13.207) 17.436 7.850 ( 6.013 -6.536 -4.839) 10.114 7.985 ( -6.142 -7.256 -5.493) 10.979 9.278 ( 1.887 2.789 2.875) 4.427 9.325 ( -2.255 2.875 2.065) 4.197 9.474 ( 4.761 -3.124 4.784) 7.437 9.556 ( -2.723 -4.119 4.141) 6.444 10.418 ( -1.047 4.078 1.803) 4.580 10.437 ( -2.518 3.315 1.243) 4.344 10.721 ( 0.665 -5.751 0.886) 5.857 10.724 ( 0.557 -5.399 0.723) 5.476 11.037 ( 1.671 -1.284 2.191) 3.040 11.061 ( 0.912 -1.289 0.611) 1.693 11.099 ( 0.969 -2.030 3.099) 3.829 11.177 ( -4.660 -3.823 2.088) 6.379 11.352 ( 5.454 3.382 2.204) 6.786 11.423 ( 0.281 2.230 0.666) 2.344 11.569 ( 0.763 0.626 2.338) 2.538 11.650 ( -5.286 -0.714 0.676) 5.377 13.888 ( 2.771 5.408 0.296) 6.083 13.961 ( -3.925 7.200 -2.408) 8.546 14.123 ( 4.496 -1.830 -2.742) 5.575 14.213 ( -3.911 -1.401 -3.724) 5.579 22.617 ( 4.552 3.827 0.488) 5.967 22.714 ( -4.451 3.115 -1.034) 5.531 22.924 ( 3.706 -4.881 -1.868) 6.407 22.985 ( -1.702 -4.793 -3.010) 5.910 23.776 ( 3.821 3.325 5.768) 7.676 23.834 ( -1.098 3.724 4.466) 5.918 24.095 ( 1.027 -4.277 0.638) 4.444 24.141 ( -2.549 -3.772 -1.088) 4.681 25.382 ( 1.671 0.613 6.021) 6.279 25.408 ( -0.416 0.594 4.987) 5.039 25.670 ( 3.885 -9.047 7.363) 12.294 25.773 ( -5.409 -9.567 6.198) 12.617 26.196 ( 1.576 6.131 -3.832) 7.400 26.209 ( 0.541 6.507 -4.562) 7.965 26.509 ( -0.939 0.149 -1.784) 2.022 26.519 ( -2.111 0.243 -2.415) 3.217 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 3.409 3.737) 5.059 1.287 ( 0.000 3.344 -3.192) 4.623 1.523 ( 0.000 8.783 3.363) 9.405 1.633 ( 0.000 1.543 5.711) 5.916 1.930 ( 0.000 -1.482 6.221) 6.395 2.064 ( 0.000 -10.173 1.794) 10.330 2.385 ( 0.000 2.602 3.918) 4.703 2.442 ( 0.000 0.413 3.111) 3.139 2.465 ( 0.000 8.036 10.943) 13.576 2.573 ( 0.000 5.301 6.535) 8.415 2.648 ( 0.000 -0.272 3.076) 3.088 2.688 ( 0.000 -7.759 3.495) 8.510 2.857 ( 0.000 4.673 3.919) 6.099 2.932 ( 0.000 6.371 9.701) 11.606 2.954 ( 0.000 -2.871 5.870) 6.535 3.072 ( 0.000 -5.991 6.928) 9.159 3.323 ( 0.000 2.436 0.385) 2.466 3.493 ( 0.000 -12.370 0.644) 12.387 3.757 ( 0.000 13.432 -1.662) 13.535 4.064 ( 0.000 -15.410 -4.928) 16.179 4.108 ( 0.000 4.369 3.091) 5.352 4.199 ( 0.000 -3.245 -1.337) 3.510 4.575 ( 0.000 -0.805 0.173) 0.823 4.598 ( 0.000 -2.596 -0.918) 2.754 4.757 ( 0.000 5.697 -4.159) 7.053 4.857 ( 0.000 -4.021 4.691) 6.178 5.109 ( 0.000 1.175 -3.628) 3.813 5.140 ( 0.000 -3.205 -9.549) 10.072 5.407 ( 0.000 5.601 -8.282) 9.999 5.523 ( 0.000 -2.642 -5.048) 5.698 5.556 ( 0.000 7.200 -10.929) 13.087 5.754 ( 0.000 -9.819 -7.554) 12.388 7.472 ( 0.000 3.597 -6.396) 7.338 7.498 ( 0.000 2.211 0.262) 2.226 7.823 ( 0.000 5.923 -14.605) 15.760 7.977 ( 0.000 -8.388 -10.758) 13.641 9.285 ( 0.000 0.680 3.981) 4.039 9.293 ( 0.000 0.016 6.485) 6.485 9.455 ( 0.000 3.086 0.634) 3.151 9.523 ( 0.000 -3.694 1.765) 4.094 10.549 ( 0.000 1.042 1.236) 1.617 10.572 ( 0.000 -1.233 0.735) 1.436 10.591 ( 0.000 0.386 1.644) 1.688 10.619 ( 0.000 -2.523 1.436) 2.903 10.969 ( 0.000 -0.435 2.443) 2.481 10.977 ( 0.000 -1.047 2.718) 2.913 11.156 ( 0.000 2.322 1.462) 2.744 11.218 ( 0.000 -4.008 2.094) 4.522 11.240 ( 0.000 2.949 5.407) 6.159 11.295 ( 0.000 -2.723 3.206) 4.206 11.706 ( 0.000 3.922 0.604) 3.969 11.763 ( 0.000 -1.961 -0.069) 1.962 13.895 ( 0.000 2.491 0.459) 2.533 13.943 ( 0.000 -2.399 -1.889) 3.053 14.218 ( 0.000 4.925 -7.441) 8.923 14.281 ( 0.000 -1.884 -6.356) 6.629 22.577 ( 0.000 4.192 2.760) 5.019 22.662 ( 0.000 -4.374 2.025) 4.821 22.906 ( 0.000 -0.071 -2.408) 2.409 22.921 ( 0.000 -1.525 -3.200) 3.545 23.730 ( 0.000 3.859 7.367) 8.317 23.791 ( 0.000 -1.972 6.312) 6.613 24.116 ( 0.000 -0.022 0.938) 0.938 24.140 ( 0.000 -2.060 -0.622) 2.152 25.354 ( 0.000 0.375 6.814) 6.824 25.371 ( 0.000 -0.678 8.913) 8.939 25.586 ( 0.000 3.614 5.683) 6.735 25.724 ( 0.000 -9.457 5.478) 10.929 26.219 ( 0.000 3.238 -2.973) 4.396 26.238 ( 0.000 1.668 -4.770) 5.053 26.577 ( 0.000 1.211 -4.066) 4.242 26.606 ( 0.000 -1.450 -5.283) 5.479 ======================= Grid point 121 (47/72) ======================= q-point: ( 0.20 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.685 5.430 2.529) 6.029 1.337 ( 2.908 -1.888 0.103) 3.468 1.480 ( -2.951 10.403 4.763) 11.816 1.625 ( -1.340 1.265 4.511) 4.873 1.871 ( -4.624 -0.377 2.430) 5.237 2.027 ( -2.627 -11.541 5.091) 12.885 2.186 ( -16.822 8.834 7.292) 20.352 2.309 ( -9.087 -4.115 5.514) 11.398 2.438 ( -0.728 1.743 6.421) 6.693 2.528 ( -0.987 1.593 9.213) 9.402 2.555 ( -4.446 -3.228 5.661) 7.889 2.669 ( -1.508 -7.561 5.098) 9.243 2.990 ( 7.265 5.060 3.239) 9.427 3.029 ( 4.434 1.501 2.734) 5.421 3.087 ( 7.830 -0.187 2.135) 8.118 3.128 ( 3.551 -5.096 1.913) 6.499 3.359 ( 7.206 13.718 1.191) 15.542 3.636 ( 9.477 -11.839 1.199) 15.212 3.858 ( 8.295 15.807 -2.981) 18.099 4.111 ( -0.542 4.031 0.218) 4.073 4.145 ( 6.351 -8.069 -4.483) 11.205 4.232 ( 3.837 -10.198 2.545) 11.189 4.440 ( -9.565 0.184 0.249) 9.570 4.507 ( -6.707 -5.698 -0.108) 8.801 4.823 ( 3.875 6.533 -2.953) 8.150 4.922 ( 4.788 -2.829 2.377) 6.048 5.121 ( 2.660 5.457 -3.615) 7.065 5.182 ( 2.162 -2.536 -8.080) 8.740 5.329 ( -4.134 1.084 -6.828) 8.055 5.441 ( -6.987 -7.314 -6.829) 12.205 5.551 ( -1.461 9.742 -7.191) 12.196 5.759 ( -1.393 -10.460 -6.477) 12.381 7.455 ( 0.284 7.518 -6.330) 9.832 7.554 ( 3.721 -0.978 -2.626) 4.658 7.773 ( -4.396 5.440 -13.909) 15.569 7.933 ( -4.101 -8.898 -9.957) 13.969 9.295 ( 1.389 2.058 4.338) 4.998 9.331 ( 2.941 -1.472 5.594) 6.490 9.438 ( -1.544 3.221 1.031) 3.718 9.511 ( -1.177 -4.036 2.288) 4.786 10.535 ( -1.757 3.038 1.539) 3.832 10.540 ( -1.197 2.341 1.314) 2.939 10.612 ( 0.224 -3.640 1.262) 3.860 10.615 ( 0.141 -3.709 1.454) 3.986 10.983 ( 1.381 -0.346 2.336) 2.736 10.991 ( 1.400 -1.016 2.354) 2.921 11.132 ( -2.000 1.608 1.653) 3.053 11.181 ( -2.772 -3.417 2.099) 4.874 11.298 ( 4.736 2.649 4.199) 6.862 11.343 ( 4.372 -1.817 2.994) 5.602 11.671 ( -3.276 3.326 1.010) 4.777 11.723 ( -3.713 -1.981 0.294) 4.218 13.919 ( 2.300 3.407 -0.272) 4.119 13.981 ( 3.280 -2.861 -2.067) 4.819 14.180 ( -3.389 5.121 -6.297) 8.795 14.250 ( -2.837 -2.313 -5.762) 6.826 22.616 ( 3.491 4.631 1.681) 6.039 22.708 ( 3.907 -4.436 0.768) 5.961 22.872 ( -2.493 1.474 -2.322) 3.712 22.921 ( -0.653 -3.243 -2.943) 4.428 23.767 ( 3.398 3.953 6.801) 8.569 23.828 ( 3.366 -1.548 5.552) 6.675 24.082 ( -2.989 0.314 1.495) 3.357 24.121 ( -2.000 -2.986 -0.144) 3.597 25.367 ( 1.410 1.106 6.910) 7.139 25.397 ( 2.335 -1.065 7.791) 8.203 25.562 ( -2.107 2.361 5.766) 6.577 25.685 ( -3.481 -8.939 5.463) 11.039 26.250 ( 2.782 3.659 -2.848) 5.407 26.267 ( 2.709 2.247 -4.308) 5.563 26.548 ( -2.699 0.469 -3.597) 4.521 26.570 ( -3.264 -1.452 -4.699) 5.903 ======================= Grid point 122 (48/72) ======================= q-point: ( 0.40 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.120 6.574 3.977) 8.718 1.372 ( -1.546 3.400 4.370) 5.749 1.451 ( 1.849 -1.828 1.530) 3.017 1.553 ( -5.589 -4.934 5.335) 9.168 1.791 ( -0.969 7.425 2.383) 7.858 1.889 ( -10.121 8.663 9.224) 16.204 2.009 ( 1.561 -12.728 5.301) 13.876 2.104 ( -7.689 -12.190 6.468) 15.797 2.450 ( 1.838 3.962 6.206) 7.589 2.497 ( -2.118 5.062 6.528) 8.528 2.555 ( 2.615 -5.588 6.534) 8.986 2.622 ( -3.116 -6.561 5.430) 9.069 3.080 ( 1.553 4.966 0.491) 5.226 3.081 ( 1.051 4.317 0.330) 4.456 3.176 ( 1.476 -4.952 -0.501) 5.192 3.178 ( 1.353 -4.806 0.548) 5.023 3.627 ( 15.477 15.702 -1.335) 22.088 3.840 ( 8.877 -3.648 -0.542) 9.612 3.911 ( -5.841 12.587 -4.188) 14.494 4.056 ( -6.333 0.181 0.155) 6.338 4.261 ( -1.116 0.441 0.743) 1.411 4.291 ( -0.190 -4.004 0.750) 4.078 4.311 ( 5.600 -3.627 -0.358) 6.681 4.411 ( -2.352 -10.853 0.080) 11.105 4.912 ( 5.258 10.080 -2.797) 11.708 5.011 ( 1.206 7.954 -3.626) 8.824 5.106 ( -1.528 0.573 -1.744) 2.389 5.232 ( -5.191 1.176 -6.141) 8.126 5.301 ( 4.775 -5.594 -5.326) 9.081 5.412 ( 7.800 -8.221 -2.656) 11.639 5.466 ( -4.908 3.241 -5.031) 7.740 5.648 ( -9.306 -11.549 -3.561) 15.253 7.504 ( 4.303 10.208 -9.444) 14.557 7.603 ( -2.648 8.874 -8.947) 12.877 7.706 ( 2.171 -6.879 -8.677) 11.284 7.819 ( -6.280 -9.508 -8.203) 14.040 9.338 ( 2.492 3.313 3.515) 5.435 9.388 ( -0.985 2.780 3.663) 4.703 9.410 ( 2.105 -2.548 3.276) 4.654 9.472 ( -2.554 -4.351 3.428) 6.100 10.507 ( -0.535 4.952 1.754) 5.280 10.514 ( -1.059 4.621 1.578) 4.997 10.610 ( 0.103 -5.485 1.599) 5.714 10.616 ( -0.303 -5.497 1.408) 5.682 11.024 ( 2.377 0.050 2.043) 3.135 11.037 ( 2.819 -1.112 1.628) 3.440 11.082 ( -2.534 0.393 1.954) 3.224 11.111 ( -3.635 -2.568 1.750) 4.783 11.422 ( 6.534 3.343 2.891) 7.888 11.459 ( 5.784 0.257 2.010) 6.129 11.577 ( -5.051 1.035 2.019) 5.537 11.616 ( -6.058 -2.381 1.230) 6.625 13.989 ( 4.285 4.778 -1.873) 6.686 14.065 ( 3.480 -1.585 -3.361) 5.091 14.093 ( -3.564 3.570 -3.578) 6.184 14.170 ( -4.571 -3.096 -4.328) 7.015 22.705 ( 4.553 5.107 -0.340) 6.851 22.781 ( -0.329 2.122 -1.555) 2.651 22.826 ( 0.882 -3.465 -1.410) 3.843 22.887 ( -2.608 -5.000 -2.452) 6.149 23.858 ( 4.838 4.816 5.232) 8.601 23.909 ( 2.632 2.338 3.752) 5.145 24.011 ( -2.342 -2.761 2.880) 4.626 24.056 ( -3.967 -4.722 1.239) 6.291 25.412 ( 2.626 2.660 6.192) 7.233 25.449 ( 0.930 2.417 5.845) 6.393 25.522 ( 0.102 -4.390 6.579) 7.910 25.593 ( -4.777 -7.933 5.897) 10.978 26.323 ( 3.585 5.626 -2.947) 7.293 26.335 ( 2.933 5.036 -3.841) 6.980 26.478 ( -3.106 -2.439 -2.633) 4.746 26.488 ( -3.726 -2.831 -3.530) 5.862 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 0.000 -0.885) 0.885 1.241 ( 0.000 0.000 -4.916) 4.916 1.457 ( 0.000 0.000 17.908) 17.908 1.622 ( 0.000 0.000 10.326) 10.326 1.839 ( 0.000 0.000 -2.911) 2.911 1.981 ( 0.000 0.000 1.571) 1.571 2.350 ( 0.000 0.000 -0.414) 0.414 2.379 ( 0.000 0.000 3.802) 3.802 2.474 ( 0.000 0.000 5.013) 5.013 2.489 ( 0.000 0.000 -1.116) 1.116 2.570 ( 0.000 0.000 12.135) 12.135 2.809 ( 0.000 0.000 2.313) 2.313 2.819 ( 0.000 0.000 10.869) 10.869 3.145 ( 0.000 0.000 -3.617) 3.617 3.171 ( 0.000 0.000 4.698) 4.698 3.323 ( 0.000 0.000 -4.288) 4.288 3.736 ( 0.000 0.000 8.061) 8.061 3.827 ( 0.000 0.000 4.338) 4.338 3.862 ( 0.000 0.000 1.934) 1.934 3.907 ( 0.000 0.000 -0.158) 0.158 4.361 ( 0.000 0.000 -3.502) 3.502 4.372 ( 0.000 0.000 -4.020) 4.020 4.456 ( 0.000 0.000 -7.131) 7.131 4.485 ( 0.000 0.000 -7.877) 7.877 4.586 ( 0.000 0.000 -3.024) 3.024 4.644 ( 0.000 0.000 -3.054) 3.054 5.054 ( 0.000 0.000 1.236) 1.236 5.244 ( 0.000 0.000 -0.333) 0.333 5.297 ( 0.000 0.000 -9.412) 9.412 5.367 ( 0.000 0.000 -5.180) 5.180 5.667 ( 0.000 0.000 6.582) 6.582 5.975 ( 0.000 0.000 -6.215) 6.215 7.013 ( 0.000 0.000 -4.564) 4.564 7.025 ( 0.000 0.000 -8.416) 8.416 7.749 ( 0.000 0.000 3.241) 3.241 8.071 ( 0.000 0.000 -9.162) 9.162 9.286 ( 0.000 0.000 1.464) 1.464 9.345 ( 0.000 0.000 -0.852) 0.852 9.469 ( 0.000 0.000 9.184) 9.184 9.692 ( 0.000 0.000 -1.069) 1.069 10.558 ( 0.000 0.000 1.611) 1.611 10.611 ( 0.000 0.000 -0.890) 0.890 10.652 ( 0.000 0.000 2.179) 2.179 10.763 ( 0.000 0.000 -2.610) 2.610 11.091 ( 0.000 0.000 1.364) 1.364 11.144 ( 0.000 0.000 -1.728) 1.728 11.203 ( 0.000 0.000 6.874) 6.874 11.219 ( 0.000 0.000 2.961) 2.961 11.240 ( 0.000 0.000 0.970) 0.970 11.529 ( 0.000 0.000 4.819) 4.819 11.559 ( 0.000 0.000 -8.691) 8.691 11.670 ( 0.000 0.000 -1.807) 1.807 13.848 ( 0.000 0.000 4.120) 4.120 13.928 ( 0.000 0.000 6.746) 6.746 13.963 ( 0.000 0.000 -2.795) 2.795 14.210 ( 0.000 0.000 -6.056) 6.056 22.546 ( 0.000 0.000 6.053) 6.053 22.785 ( 0.000 0.000 -3.474) 3.474 22.951 ( 0.000 0.000 -1.081) 1.081 22.957 ( 0.000 0.000 -2.371) 2.371 23.718 ( 0.000 0.000 5.932) 5.932 23.839 ( 0.000 0.000 1.033) 1.033 24.162 ( 0.000 0.000 -1.518) 1.518 24.176 ( 0.000 0.000 -1.973) 1.973 25.423 ( 0.000 0.000 4.659) 4.659 25.468 ( 0.000 0.000 1.790) 1.790 25.804 ( 0.000 0.000 1.321) 1.321 25.895 ( 0.000 0.000 -2.973) 2.973 26.153 ( 0.000 0.000 2.332) 2.332 26.277 ( 0.000 0.000 -3.842) 3.842 26.450 ( 0.000 0.000 2.435) 2.435 26.510 ( 0.000 0.000 -0.566) 0.566 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -1.410 0.000 -2.193) 2.607 1.191 ( -3.572 0.000 -5.252) 6.352 1.290 ( -8.549 0.000 15.830) 17.991 1.741 ( 9.755 0.000 10.525) 14.350 1.885 ( -13.720 0.000 -11.129) 17.666 1.963 ( 8.950 0.000 -2.131) 9.200 2.388 ( 0.970 0.000 3.685) 3.810 2.416 ( 9.752 0.000 7.196) 12.120 2.486 ( -0.394 0.000 -0.860) 0.946 2.570 ( 4.855 0.000 2.168) 5.317 2.613 ( 4.229 0.000 16.183) 16.726 2.830 ( 1.600 0.000 9.008) 9.149 2.894 ( 5.694 0.000 2.117) 6.075 3.113 ( -2.852 0.000 -4.412) 5.254 3.202 ( 2.993 0.000 5.155) 5.961 3.354 ( 2.438 0.000 -1.781) 3.019 3.548 ( -10.795 0.000 6.224) 12.461 3.686 ( -8.777 0.000 -0.102) 8.778 3.900 ( 2.049 0.000 5.744) 6.099 4.057 ( 7.154 0.000 1.909) 7.404 4.243 ( -5.403 0.000 0.312) 5.412 4.295 ( -11.077 0.000 -5.354) 12.303 4.393 ( -9.240 0.000 -8.837) 12.786 4.509 ( -6.738 0.000 -5.764) 8.867 4.531 ( 6.591 0.000 -3.115) 7.290 4.582 ( -0.619 0.000 -2.298) 2.379 5.099 ( -1.285 0.000 -0.169) 1.296 5.271 ( -1.458 0.000 -8.424) 8.549 5.341 ( 7.695 0.000 -0.725) 7.729 5.450 ( 6.220 0.000 -5.130) 8.063 5.735 ( 7.449 0.000 6.546) 9.917 6.026 ( 3.430 0.000 -6.069) 6.971 6.877 ( -7.350 0.000 -5.182) 8.993 7.005 ( -5.304 0.000 -11.288) 12.472 7.832 ( 6.932 0.000 3.496) 7.764 8.089 ( 1.020 0.000 -7.076) 7.150 9.262 ( -1.487 0.000 1.859) 2.381 9.320 ( -2.123 0.000 -0.711) 2.239 9.535 ( 5.263 0.000 7.522) 9.181 9.708 ( 1.250 0.000 -0.225) 1.271 10.473 ( -6.403 0.000 1.802) 6.652 10.494 ( -5.571 0.000 0.858) 5.637 10.759 ( 4.675 0.000 -0.235) 4.681 10.803 ( 2.600 0.000 -1.765) 3.142 11.103 ( 1.256 0.000 1.356) 1.848 11.164 ( 1.387 0.000 -2.040) 2.467 11.199 ( -0.317 0.000 6.561) 6.569 11.206 ( -0.708 0.000 2.742) 2.832 11.273 ( 2.664 0.000 0.326) 2.684 11.520 ( -0.532 0.000 4.698) 4.728 11.524 ( -3.115 0.000 -7.621) 8.233 11.648 ( -2.143 0.000 -1.395) 2.557 13.834 ( -1.103 0.000 4.092) 4.238 13.871 ( -2.573 0.000 2.725) 3.748 14.037 ( 4.197 0.000 0.194) 4.202 14.202 ( -0.826 0.000 -5.160) 5.225 22.547 ( 0.370 0.000 4.789) 4.803 22.735 ( -4.238 0.000 -3.122) 5.264 22.943 ( 1.472 0.000 0.053) 1.473 23.007 ( 1.840 0.000 -3.689) 4.122 23.757 ( 3.248 0.000 5.446) 6.341 23.848 ( 0.666 0.000 1.877) 1.991 24.149 ( -0.989 0.000 -1.303) 1.636 24.168 ( -0.718 0.000 -2.587) 2.685 25.450 ( 2.431 0.000 4.736) 5.323 25.493 ( 2.039 0.000 2.090) 2.920 25.811 ( 0.671 0.000 1.093) 1.283 25.884 ( -0.983 0.000 -2.215) 2.423 26.167 ( 1.258 0.000 1.396) 1.879 26.266 ( -0.987 0.000 -3.432) 3.571 26.431 ( -1.609 0.000 2.166) 2.699 26.476 ( -2.915 0.000 0.001) 2.915 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.540 0.000 -4.337) 4.371 1.125 ( -2.518 0.000 -5.464) 6.016 1.269 ( 7.263 0.000 4.266) 8.423 1.541 ( -16.658 0.000 -7.607) 18.313 1.958 ( 9.380 0.000 9.240) 13.167 2.073 ( -0.366 0.000 3.503) 3.522 2.425 ( 2.376 0.000 2.154) 3.207 2.467 ( -1.471 0.000 0.404) 1.525 2.576 ( 5.186 0.000 4.385) 6.791 2.634 ( 0.110 0.000 6.861) 6.862 2.752 ( 8.310 0.000 6.152) 10.339 2.908 ( 5.748 0.000 1.312) 5.895 2.917 ( -5.330 0.000 0.348) 5.341 3.030 ( -5.078 0.000 -4.403) 6.721 3.295 ( 5.550 0.000 6.713) 8.711 3.382 ( -1.206 0.000 4.016) 4.193 3.429 ( 1.173 0.000 7.076) 7.173 3.525 ( -6.428 0.000 3.379) 7.262 3.978 ( 5.596 0.000 6.744) 8.763 4.097 ( -4.409 0.000 5.615) 7.140 4.110 ( -3.932 0.000 -6.690) 7.760 4.178 ( -9.031 0.000 -8.445) 12.364 4.201 ( 3.682 0.000 -2.461) 4.429 4.337 ( -8.369 0.000 -3.029) 8.901 4.591 ( 3.920 0.000 1.601) 4.234 4.662 ( 0.162 0.000 -3.384) 3.388 5.059 ( 2.399 0.000 -3.253) 4.042 5.190 ( -6.822 0.000 -9.091) 11.366 5.497 ( 5.949 0.000 -1.541) 6.146 5.548 ( 1.617 0.000 -3.440) 3.801 5.936 ( 9.281 0.000 2.843) 9.707 6.056 ( -1.702 0.000 -2.539) 3.057 6.782 ( -0.559 0.000 -9.023) 9.041 6.859 ( -6.906 0.000 -12.384) 14.180 7.985 ( 6.579 0.000 1.434) 6.733 8.081 ( -2.356 0.000 -2.703) 3.585 9.246 ( 0.216 0.000 1.015) 1.038 9.272 ( -2.048 0.000 -0.142) 2.053 9.652 ( 5.109 0.000 5.050) 7.183 9.719 ( -0.989 0.000 2.065) 2.290 10.372 ( -2.329 0.000 2.045) 3.099 10.390 ( -3.646 0.000 1.127) 3.816 10.828 ( 1.944 0.000 -0.908) 2.145 10.841 ( 0.722 0.000 -1.258) 1.451 11.142 ( 2.186 0.000 0.603) 2.268 11.176 ( -0.634 0.000 -1.239) 1.392 11.193 ( -0.182 0.000 5.229) 5.232 11.195 ( -0.349 0.000 3.821) 3.837 11.346 ( 4.176 0.000 -2.109) 4.678 11.440 ( -4.580 0.000 -5.065) 6.828 11.529 ( 1.745 0.000 3.017) 3.485 11.587 ( -3.319 0.000 0.203) 3.326 13.818 ( -0.163 0.000 3.307) 3.311 13.831 ( -1.349 0.000 2.467) 2.812 14.117 ( 3.321 0.000 -1.067) 3.488 14.173 ( -1.989 0.000 -3.134) 3.712 22.573 ( 2.210 0.000 1.949) 2.947 22.641 ( -4.175 0.000 -0.955) 4.283 22.989 ( 2.243 0.000 -1.419) 2.654 23.020 ( -0.544 0.000 -3.176) 3.222 23.824 ( 2.621 0.000 4.582) 5.279 23.855 ( -0.320 0.000 3.436) 3.451 24.136 ( 0.002 0.000 -1.882) 1.882 24.149 ( -1.016 0.000 -2.787) 2.967 25.506 ( 2.356 0.000 4.356) 4.952 25.527 ( 0.582 0.000 3.143) 3.196 25.831 ( 1.180 0.000 0.393) 1.244 25.858 ( -1.354 0.000 -0.786) 1.566 26.200 ( 1.819 0.000 -0.498) 1.886 26.238 ( -1.670 0.000 -2.257) 2.808 26.400 ( -0.794 0.000 1.592) 1.779 26.415 ( -2.206 0.000 0.937) 2.397 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 4.693 -2.348) 5.248 1.181 ( 0.000 -3.206 -0.986) 3.355 1.542 ( 0.000 6.669 13.364) 14.936 1.599 ( 0.000 -2.144 14.495) 14.653 1.930 ( 0.000 7.451 -4.456) 8.681 2.019 ( 0.000 3.509 -3.344) 4.847 2.364 ( 0.000 1.516 1.299) 1.996 2.383 ( 0.000 0.510 3.563) 3.600 2.514 ( 0.000 3.630 6.097) 7.096 2.518 ( 0.000 2.998 0.616) 3.061 2.634 ( 0.000 5.529 10.333) 11.719 2.787 ( 0.000 -1.266 4.161) 4.349 2.816 ( 0.000 -0.329 8.957) 8.963 3.084 ( 0.000 -6.058 -1.901) 6.350 3.164 ( 0.000 -0.231 2.459) 2.470 3.346 ( 0.000 2.524 -5.075) 5.668 3.628 ( 0.000 -9.624 5.077) 10.881 3.639 ( 0.000 -15.148 3.774) 15.611 3.842 ( 0.000 -2.405 0.915) 2.573 3.926 ( 0.000 1.464 -1.687) 2.233 4.307 ( 0.000 -2.914 -0.145) 2.917 4.323 ( 0.000 -1.089 -1.611) 1.945 4.581 ( 0.000 -0.650 -2.818) 2.892 4.624 ( 0.000 0.629 -1.856) 1.960 4.637 ( 0.000 12.952 -6.295) 14.401 4.694 ( 0.000 12.648 -8.511) 15.245 4.919 ( 0.000 -10.226 2.160) 10.452 5.167 ( 0.000 -8.117 -6.876) 10.638 5.289 ( 0.000 1.717 -0.713) 1.859 5.417 ( 0.000 -0.451 -7.082) 7.096 5.589 ( 0.000 -6.116 5.841) 8.457 5.913 ( 0.000 -5.919 -7.434) 9.503 7.090 ( 0.000 6.108 -6.869) 9.192 7.112 ( 0.000 9.298 -4.732) 10.433 7.725 ( 0.000 -2.478 2.923) 3.832 8.039 ( 0.000 -3.324 -9.168) 9.752 9.294 ( 0.000 0.815 1.690) 1.876 9.357 ( 0.000 1.238 -1.001) 1.592 9.464 ( 0.000 -0.546 8.692) 8.709 9.670 ( 0.000 -2.187 -0.965) 2.390 10.558 ( 0.000 0.070 1.498) 1.500 10.606 ( 0.000 -0.469 -0.777) 0.908 10.645 ( 0.000 -0.670 2.108) 2.211 10.740 ( 0.000 -2.216 -1.898) 2.917 11.085 ( 0.000 -0.648 0.959) 1.158 11.097 ( 0.000 -3.385 0.058) 3.385 11.183 ( 0.000 -1.590 6.477) 6.670 11.241 ( 0.000 2.104 3.386) 3.987 11.279 ( 0.000 2.622 0.357) 2.646 11.473 ( 0.000 -6.376 -5.344) 8.320 11.569 ( 0.000 3.551 3.850) 5.237 11.715 ( 0.000 2.580 -3.288) 4.179 13.889 ( 0.000 3.009 0.743) 3.099 13.934 ( 0.000 1.402 7.107) 7.244 13.956 ( 0.000 -0.694 -2.489) 2.583 14.206 ( 0.000 -0.424 -6.038) 6.053 22.556 ( 0.000 1.046 5.712) 5.807 22.777 ( 0.000 -0.819 -2.842) 2.957 22.932 ( 0.000 -1.860 -1.192) 2.209 22.934 ( 0.000 -2.192 -2.608) 3.407 23.736 ( 0.000 1.848 5.877) 6.160 23.848 ( 0.000 0.886 1.195) 1.488 24.156 ( 0.000 -0.610 -1.260) 1.399 24.168 ( 0.000 -0.746 -1.791) 1.940 25.431 ( 0.000 1.077 4.347) 4.479 25.457 ( 0.000 -0.761 2.388) 2.507 25.815 ( 0.000 -0.049 3.172) 3.172 25.949 ( 0.000 5.042 -3.409) 6.086 26.106 ( 0.000 -2.928 1.572) 3.323 26.174 ( 0.000 -8.610 -1.399) 8.723 26.491 ( 0.000 2.452 0.418) 2.488 26.532 ( 0.000 1.487 -1.367) 2.020 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -1.698 1.690 0.700) 2.496 1.190 ( 1.236 3.858 -3.123) 5.115 1.397 ( -9.067 7.908 9.911) 15.588 1.690 ( 6.190 -3.345 12.324) 14.191 1.913 ( -11.351 1.719 -9.907) 15.164 1.948 ( 2.730 0.286 -0.984) 2.916 2.381 ( -0.034 -0.005 4.551) 4.551 2.440 ( 3.680 0.053 2.659) 4.541 2.521 ( 6.203 3.163 2.876) 7.534 2.607 ( 3.727 2.149 1.400) 4.525 2.705 ( 4.386 8.892 12.269) 15.775 2.780 ( 1.195 -4.280 7.325) 8.568 2.902 ( 5.435 1.397 3.470) 6.597 3.057 ( -2.815 -6.154 -2.733) 7.298 3.184 ( 2.164 -0.861 4.734) 5.276 3.370 ( 1.581 2.130 -3.030) 4.027 3.466 ( -8.089 -7.226 4.538) 11.757 3.540 ( -6.925 -11.655 -0.117) 13.558 3.888 ( 2.619 -1.200 4.929) 5.709 4.050 ( 7.542 0.443 -0.864) 7.604 4.218 ( -5.560 -1.656 2.723) 6.409 4.385 ( 1.146 1.425 -6.139) 6.406 4.444 ( -10.951 7.045 -5.329) 14.069 4.524 ( -7.705 1.441 -1.889) 8.063 4.580 ( -1.495 3.332 -0.238) 3.660 4.700 ( 1.209 12.526 -8.851) 15.385 4.990 ( 1.033 -9.274 0.678) 9.355 5.165 ( 0.223 -7.152 -6.285) 9.524 5.369 ( 4.860 -0.018 -2.399) 5.420 5.453 ( 3.463 -1.196 -5.134) 6.307 5.650 ( 7.088 -7.544 6.125) 12.028 5.958 ( 2.989 -6.398 -7.112) 10.022 6.968 ( -6.715 8.406 -4.685) 11.734 7.090 ( -4.893 8.115 -10.114) 13.860 7.799 ( 6.193 -3.343 3.107) 7.693 8.049 ( 0.407 -4.069 -7.236) 8.312 9.276 ( -1.077 1.371 1.971) 2.631 9.335 ( -1.871 1.543 -0.715) 2.528 9.523 ( 4.764 -1.207 7.128) 8.658 9.684 ( 1.035 -2.441 -0.171) 2.657 10.483 ( -5.673 1.031 1.704) 6.012 10.502 ( -4.963 0.782 0.876) 5.100 10.741 ( 4.180 -1.793 -0.123) 4.550 10.775 ( 2.345 -2.629 -1.176) 3.714 11.086 ( 0.721 -1.550 1.123) 2.045 11.116 ( 0.944 -2.988 0.754) 3.223 11.182 ( -0.058 -1.720 4.685) 4.991 11.248 ( 0.729 3.077 1.981) 3.732 11.300 ( 1.613 1.978 1.322) 2.874 11.439 ( -2.429 -5.437 -3.763) 7.044 11.566 ( -0.394 3.163 2.828) 4.261 11.688 ( -2.473 2.455 -2.753) 4.440 13.876 ( -2.281 2.505 3.118) 4.604 13.878 ( -1.138 1.961 1.011) 2.482 14.031 ( 4.034 -0.590 0.463) 4.103 14.197 ( -0.947 -0.570 -5.211) 5.327 22.560 ( 0.559 1.292 4.495) 4.710 22.737 ( -3.588 0.256 -2.991) 4.679 22.920 ( 1.338 -2.311 0.044) 2.671 22.982 ( 1.711 -2.405 -3.527) 4.599 23.772 ( 2.996 1.547 5.389) 6.357 23.858 ( 0.759 1.036 1.841) 2.245 24.141 ( -1.079 -0.808 -0.917) 1.630 24.162 ( -0.675 -0.620 -2.338) 2.511 25.449 ( 1.614 0.201 4.324) 4.620 25.477 ( 1.561 -1.112 2.402) 3.073 25.832 ( 1.573 0.450 3.172) 3.569 25.948 ( -0.228 5.925 -2.089) 6.287 26.103 ( -0.317 -4.568 0.447) 4.601 26.157 ( -1.472 -8.259 -1.461) 8.515 26.478 ( -1.102 2.708 0.347) 2.944 26.508 ( -1.986 2.047 -0.852) 2.977 ======================= Grid point 147 (54/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.017 4.619 -0.040) 5.041 1.209 ( -2.817 7.439 -2.520) 8.344 1.322 ( 6.317 5.133 0.879) 8.187 1.568 ( -14.525 2.755 -6.501) 16.150 1.890 ( 6.598 -5.142 8.037) 11.601 1.980 ( -1.126 -6.311 3.383) 7.248 2.397 ( 1.667 -1.677 3.576) 4.287 2.439 ( -1.772 -2.075 1.533) 3.130 2.651 ( 2.432 -0.396 4.354) 5.003 2.679 ( 1.500 -6.319 6.059) 8.882 2.750 ( 4.323 6.445 4.987) 9.225 2.889 ( -0.964 -0.555 0.373) 1.173 2.902 ( 1.393 1.475 0.105) 2.032 2.998 ( -2.336 -1.857 -3.635) 4.703 3.266 ( 4.997 -2.189 8.166) 9.820 3.338 ( -2.057 -3.709 3.707) 5.633 3.429 ( -0.194 -0.871 3.164) 3.288 3.445 ( -1.479 -3.266 0.512) 3.621 3.970 ( 5.416 -0.065 5.983) 8.070 4.095 ( -5.803 0.605 5.054) 7.719 4.170 ( 3.999 1.031 -3.510) 5.420 4.248 ( -5.346 7.287 -5.346) 10.500 4.338 ( -3.750 10.261 -6.557) 12.742 4.362 ( -6.360 3.691 -3.138) 7.995 4.607 ( 4.467 1.923 3.155) 5.797 4.723 ( -3.554 5.880 -1.378) 7.007 4.981 ( 4.311 -7.056 -4.047) 9.206 5.126 ( -5.843 -5.456 -9.189) 12.180 5.465 ( 4.503 -3.441 -1.546) 5.874 5.513 ( 0.640 -3.553 -3.347) 4.923 5.849 ( 9.506 -8.102 2.506) 12.739 5.978 ( -2.224 -7.344 -3.244) 8.331 6.883 ( -0.343 9.427 -8.021) 12.382 6.955 ( -6.336 9.072 -11.131) 15.695 7.936 ( 6.015 -4.886 0.921) 7.803 8.029 ( -2.660 -5.165 -3.128) 6.598 9.267 ( 0.406 2.035 1.171) 2.383 9.292 ( -1.865 2.034 0.013) 2.760 9.629 ( 4.621 -2.285 4.742) 7.005 9.691 ( -1.010 -2.803 1.968) 3.571 10.395 ( -2.023 2.223 1.951) 3.583 10.410 ( -3.182 1.998 1.173) 3.936 10.801 ( 1.602 -2.676 -0.636) 3.183 10.810 ( 0.710 -2.989 -0.811) 3.177 11.112 ( 1.286 -1.999 1.264) 2.692 11.125 ( -0.034 -2.680 1.996) 3.342 11.190 ( 1.338 -1.564 2.357) 3.130 11.238 ( -2.272 0.945 0.629) 2.540 11.347 ( 2.960 0.993 1.061) 3.297 11.400 ( -1.669 -1.071 -1.916) 2.757 11.566 ( 1.128 2.500 1.490) 3.121 11.621 ( -3.527 2.194 -1.119) 4.302 13.847 ( -0.418 2.351 2.382) 3.373 13.854 ( -0.966 2.739 1.437) 3.241 14.109 ( 3.282 -0.916 -1.120) 3.586 14.165 ( -2.093 -0.843 -3.260) 3.965 22.588 ( 2.247 1.584 1.749) 3.259 22.653 ( -3.864 1.307 -1.062) 4.215 22.964 ( 2.202 -2.503 -1.292) 3.575 22.995 ( -0.521 -2.553 -2.973) 3.953 23.836 ( 2.574 1.236 4.466) 5.301 23.867 ( -0.309 1.276 3.211) 3.469 24.127 ( 0.031 -0.929 -1.406) 1.685 24.142 ( -1.117 -0.743 -2.370) 2.723 25.487 ( 1.601 -1.277 3.821) 4.336 25.502 ( 0.369 -1.745 2.885) 3.392 25.879 ( 2.769 2.397 2.813) 4.618 25.931 ( -1.713 5.765 0.999) 6.096 26.099 ( 0.283 -7.148 -1.646) 7.341 26.121 ( -1.674 -7.160 -1.873) 7.588 26.458 ( -0.466 3.115 0.260) 3.160 26.468 ( -1.410 2.949 -0.094) 3.270 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 2.741 -0.014) 2.741 1.285 ( 0.000 5.626 -3.906) 6.848 1.564 ( 0.000 -0.413 16.242) 16.247 1.681 ( 0.000 7.040 10.680) 12.792 2.025 ( 0.000 0.349 -5.491) 5.502 2.083 ( 0.000 2.069 -6.515) 6.836 2.396 ( 0.000 0.678 2.793) 2.874 2.420 ( 0.000 3.918 2.759) 4.792 2.583 ( 0.000 2.766 3.396) 4.380 2.598 ( 0.000 4.653 7.359) 8.707 2.711 ( 0.000 -0.269 7.255) 7.260 2.798 ( 0.000 1.103 3.741) 3.900 2.834 ( 0.000 4.329 4.559) 6.287 2.978 ( 0.000 -1.629 -0.756) 1.796 3.153 ( 0.000 -0.885 4.499) 4.586 3.360 ( 0.000 -10.785 3.476) 11.332 3.423 ( 0.000 -10.183 2.242) 10.427 3.439 ( 0.000 6.629 -5.020) 8.315 3.741 ( 0.000 -8.464 1.036) 8.527 3.935 ( 0.000 -1.275 -6.647) 6.768 4.266 ( 0.000 -1.320 2.462) 2.794 4.316 ( 0.000 -1.346 1.432) 1.966 4.552 ( 0.000 -2.033 -2.508) 3.228 4.596 ( 0.000 -2.544 -1.574) 2.992 4.755 ( 0.000 -3.841 5.064) 6.356 4.899 ( 0.000 12.594 -5.053) 13.570 4.920 ( 0.000 6.449 -6.578) 9.212 5.074 ( 0.000 0.712 -3.470) 3.543 5.273 ( 0.000 -3.139 -2.368) 3.932 5.296 ( 0.000 -8.528 -4.626) 9.701 5.507 ( 0.000 -3.276 -0.856) 3.386 5.766 ( 0.000 -8.695 -9.057) 12.556 7.237 ( 0.000 8.393 -3.828) 9.225 7.334 ( 0.000 12.534 -5.384) 13.642 7.654 ( 0.000 -4.683 1.937) 5.068 7.942 ( 0.000 -6.507 -8.991) 11.099 9.318 ( 0.000 1.675 2.298) 2.844 9.391 ( 0.000 2.028 -1.188) 2.350 9.448 ( 0.000 -0.924 7.286) 7.345 9.612 ( 0.000 -3.599 -0.731) 3.672 10.561 ( 0.000 0.245 1.169) 1.195 10.594 ( 0.000 -0.702 -0.448) 0.833 10.630 ( 0.000 -0.731 1.911) 2.046 10.688 ( 0.000 -2.762 -0.440) 2.797 11.042 ( 0.000 -1.981 1.814) 2.686 11.064 ( 0.000 -1.454 1.791) 2.306 11.162 ( 0.000 -0.267 3.546) 3.556 11.291 ( 0.000 2.759 4.252) 5.069 11.303 ( 0.000 -1.811 -0.490) 1.876 11.367 ( 0.000 -2.544 -0.861) 2.686 11.645 ( 0.000 3.880 1.911) 4.325 11.748 ( 0.000 0.768 -2.638) 2.747 13.909 ( 0.000 0.028 1.792) 1.792 13.938 ( 0.000 -0.996 -1.653) 1.930 14.013 ( 0.000 5.206 0.199) 5.209 14.192 ( 0.000 -1.071 -5.911) 6.007 22.587 ( 0.000 2.156 4.780) 5.244 22.751 ( 0.000 -1.863 -0.795) 2.025 22.883 ( 0.000 -2.637 -3.354) 4.266 22.889 ( 0.000 -2.295 -1.713) 2.864 23.786 ( 0.000 3.091 5.446) 6.262 23.869 ( 0.000 1.063 1.620) 1.938 24.140 ( 0.000 -0.978 -0.526) 1.110 24.149 ( 0.000 -1.142 -1.253) 1.695 25.452 ( 0.000 0.555 3.879) 3.918 25.471 ( 0.000 3.028 3.904) 4.940 25.755 ( 0.000 -5.636 6.420) 8.542 25.975 ( 0.000 -9.804 -2.413) 10.096 26.073 ( 0.000 5.548 -0.891) 5.619 26.108 ( 0.000 3.019 -1.023) 3.188 26.519 ( 0.000 0.440 -0.900) 1.002 26.546 ( 0.000 -0.179 -2.297) 2.304 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 1.241 3.516 1.238) 3.929 1.303 ( 2.016 5.538 -4.028) 7.139 1.516 ( -5.755 3.118 9.828) 11.808 1.690 ( 2.775 4.521 13.315) 14.332 1.896 ( -9.079 -2.293 -5.528) 10.874 2.044 ( -4.716 7.543 -1.845) 9.085 2.369 ( -1.723 -2.031 6.142) 6.694 2.462 ( -3.009 1.951 2.002) 4.107 2.478 ( 1.999 -5.828 3.099) 6.897 2.616 ( -2.654 -1.808 1.156) 3.413 2.699 ( -0.280 -2.951 4.115) 5.071 2.861 ( 1.516 -4.781 -0.375) 5.030 2.949 ( 6.599 6.566 4.367) 10.283 2.997 ( 3.116 6.877 3.685) 8.401 3.168 ( 1.759 -1.123 6.994) 7.299 3.294 ( -4.709 -8.048 2.220) 9.585 3.343 ( -1.359 -6.471 0.599) 6.639 3.488 ( 4.299 9.095 -6.051) 11.740 3.839 ( 5.650 -4.445 3.535) 8.011 4.041 ( 7.568 -2.253 -4.972) 9.331 4.211 ( -2.416 1.109 5.233) 5.870 4.409 ( 5.134 -1.677 -2.885) 6.123 4.469 ( -6.723 -0.921 -3.885) 7.820 4.494 ( -6.296 -3.161 -1.148) 7.138 4.762 ( -4.604 5.312 0.846) 7.080 4.827 ( -0.606 2.849 -0.404) 2.940 4.950 ( 1.782 7.556 -6.342) 10.025 5.081 ( -1.464 1.486 -5.065) 5.477 5.318 ( 1.809 -5.408 -3.588) 6.737 5.363 ( 6.795 -6.794 -1.953) 9.806 5.505 ( 1.605 -6.549 1.934) 7.015 5.800 ( 2.024 -9.376 -8.498) 12.815 7.164 ( -4.717 10.898 -3.413) 12.356 7.292 ( -4.512 11.915 -8.524) 15.329 7.705 ( 4.191 -6.257 2.030) 7.800 7.934 ( -1.111 -7.654 -7.543) 10.803 9.313 ( -0.122 2.437 2.353) 3.390 9.378 ( -1.220 2.801 -0.750) 3.145 9.488 ( 3.430 -2.252 6.139) 7.384 9.619 ( 0.460 -4.031 -0.056) 4.058 10.513 ( -3.715 2.063 1.409) 4.477 10.525 ( -3.319 1.604 0.930) 3.802 10.693 ( 2.772 -3.000 0.281) 4.094 10.710 ( 1.496 -3.747 -0.013) 4.035 11.051 ( 0.992 -1.671 1.754) 2.618 11.071 ( 0.531 -1.752 1.949) 2.674 11.153 ( -0.733 -0.845 2.709) 2.930 11.276 ( -2.887 -3.495 -1.273) 4.708 11.322 ( 2.806 2.786 3.991) 5.618 11.386 ( 2.236 0.600 0.181) 2.322 11.631 ( -1.398 3.133 1.724) 3.840 11.719 ( -2.717 0.611 -2.214) 3.558 13.894 ( -0.480 1.145 1.603) 2.027 13.952 ( -0.143 2.450 -2.544) 3.535 14.027 ( 1.788 1.130 0.901) 2.299 14.178 ( -1.302 -1.336 -5.246) 5.568 22.598 ( 1.073 2.581 3.693) 4.631 22.743 ( -1.455 0.243 -2.266) 2.704 22.861 ( 0.446 -3.309 -0.222) 3.346 22.922 ( 1.108 -3.457 -3.250) 4.873 23.816 ( 2.574 2.855 5.020) 6.323 23.886 ( 1.372 1.611 1.771) 2.759 24.119 ( -1.466 -1.309 -0.000) 1.966 24.144 ( -0.791 -1.277 -1.536) 2.148 25.459 ( 0.675 0.622 3.889) 3.996 25.480 ( 0.648 2.044 3.250) 3.894 25.763 ( 0.861 -6.689 6.369) 9.276 25.943 ( -2.931 -10.515 -0.026) 10.916 26.084 ( 1.348 7.228 -2.145) 7.659 26.127 ( 1.239 4.010 -1.712) 4.533 26.506 ( -1.117 0.164 -0.836) 1.405 26.526 ( -1.733 -0.340 -1.743) 2.481 ======================= Grid point 152 (57/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 4.330 4.973 3.187) 7.323 1.347 ( -3.431 5.848 3.131) 7.469 1.428 ( 4.618 3.981 -2.945) 6.771 1.628 ( -11.007 1.768 -4.732) 12.111 1.828 ( 4.785 0.632 9.435) 10.598 1.937 ( -5.115 2.957 4.358) 7.341 2.348 ( 0.270 -4.622 6.903) 8.312 2.390 ( -3.287 -3.958 4.564) 6.877 2.504 ( 0.572 -7.968 0.295) 7.994 2.540 ( -3.071 -6.323 0.163) 7.031 2.740 ( 2.908 -4.055 2.894) 5.768 2.808 ( -3.695 -7.238 0.956) 8.182 3.033 ( 1.568 3.039 0.828) 3.519 3.046 ( 0.418 5.724 0.320) 5.748 3.237 ( 2.854 -2.011 3.945) 5.268 3.260 ( -0.030 -3.462 0.757) 3.544 3.406 ( 7.521 5.036 2.164) 9.306 3.538 ( -1.983 10.349 -2.641) 10.863 3.968 ( 6.944 -0.700 5.009) 8.591 4.100 ( -3.308 -0.566 2.804) 4.373 4.204 ( 1.331 2.410 -1.306) 3.047 4.302 ( -7.124 0.147 -2.795) 7.654 4.424 ( 3.183 -2.352 -2.370) 4.613 4.495 ( -0.585 1.544 -8.101) 8.268 4.703 ( 0.798 7.927 2.742) 8.426 4.793 ( -5.262 1.549 4.241) 6.934 4.946 ( 3.061 7.573 -7.250) 10.922 5.052 ( -3.649 -0.125 -7.901) 8.704 5.366 ( 2.997 -6.282 -1.372) 7.094 5.416 ( -0.939 -5.808 -2.984) 6.596 5.652 ( 9.504 -11.594 2.287) 15.165 5.796 ( -3.391 -10.830 -4.001) 12.033 7.108 ( 0.250 12.835 -6.275) 14.289 7.175 ( -5.467 12.739 -9.095) 16.580 7.801 ( 4.612 -8.759 -0.449) 9.909 7.887 ( -3.353 -9.219 -4.226) 10.681 9.321 ( 0.872 3.397 1.603) 3.856 9.347 ( -1.511 3.504 0.386) 3.835 9.567 ( 3.481 -3.934 4.009) 6.608 9.616 ( -1.078 -4.596 1.724) 5.025 10.455 ( -1.321 3.887 1.714) 4.449 10.465 ( -2.045 3.554 1.261) 4.290 10.730 ( 0.879 -4.423 0.132) 4.511 10.733 ( 0.524 -4.613 0.143) 4.645 11.080 ( 1.290 -1.169 1.422) 2.248 11.083 ( 0.582 -1.527 2.098) 2.659 11.144 ( 0.557 -2.434 1.549) 2.938 11.198 ( -3.919 -3.680 -0.142) 5.378 11.400 ( 3.907 3.946 2.456) 6.072 11.437 ( 1.268 3.426 0.633) 3.708 11.601 ( -0.462 0.840 0.998) 1.384 11.645 ( -3.814 0.081 -1.013) 3.947 13.899 ( 0.990 3.136 0.761) 3.376 13.929 ( -1.605 4.340 -0.967) 4.727 14.081 ( 2.949 -1.865 -1.156) 3.676 14.139 ( -2.412 -1.871 -3.493) 4.639 22.634 ( 2.347 3.091 1.212) 4.066 22.691 ( -2.967 2.579 -1.326) 4.149 22.895 ( 2.054 -4.331 -0.907) 4.878 22.927 ( -0.703 -4.206 -2.521) 4.954 23.875 ( 2.659 2.841 4.026) 5.599 23.907 ( 0.004 2.812 2.566) 3.806 24.098 ( -0.104 -2.110 -0.145) 2.117 24.117 ( -1.533 -1.858 -1.247) 2.712 25.477 ( 0.878 0.463 3.419) 3.560 25.488 ( -0.029 0.858 2.841) 2.968 25.797 ( 2.550 -8.865 5.327) 10.652 25.867 ( -3.878 -10.265 2.931) 11.358 26.122 ( 1.836 8.206 -2.767) 8.853 26.143 ( -0.017 6.882 -2.639) 7.370 26.484 ( -0.691 -0.616 -0.653) 1.133 26.490 ( -1.282 -0.858 -0.835) 1.754 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 5.170 0.923) 5.252 1.336 ( 0.000 -1.274 0.648) 1.429 1.629 ( 0.000 7.131 7.491) 10.343 1.757 ( 0.000 -2.269 5.425) 5.880 1.998 ( 0.000 1.430 1.371) 1.981 2.076 ( 0.000 -3.170 -0.591) 3.224 2.409 ( 0.000 0.785 -0.292) 0.838 2.443 ( 0.000 -2.309 -1.979) 3.041 2.631 ( 0.000 3.040 4.784) 5.668 2.661 ( 0.000 0.838 2.347) 2.492 2.702 ( 0.000 1.494 3.179) 3.513 2.756 ( 0.000 -3.428 2.117) 4.029 2.955 ( 0.000 6.833 5.654) 8.869 3.054 ( 0.000 1.210 3.237) 3.456 3.137 ( 0.000 1.091 10.681) 10.737 3.209 ( 0.000 -5.120 5.897) 7.809 3.315 ( 0.000 3.205 -0.329) 3.222 3.520 ( 0.000 -13.178 2.350) 13.386 3.630 ( 0.000 11.856 -10.006) 15.514 3.846 ( 0.000 -8.522 -12.207) 14.887 4.242 ( 0.000 -1.170 4.640) 4.785 4.251 ( 0.000 -2.968 6.798) 7.417 4.537 ( 0.000 0.194 -3.773) 3.778 4.550 ( 0.000 -1.472 -2.346) 2.769 4.793 ( 0.000 6.988 6.330) 9.429 4.976 ( 0.000 -7.822 6.540) 10.196 5.000 ( 0.000 1.505 -4.279) 4.536 5.068 ( 0.000 0.891 -0.840) 1.224 5.232 ( 0.000 2.961 -8.415) 8.921 5.299 ( 0.000 3.085 -12.940) 13.303 5.446 ( 0.000 0.144 -3.041) 3.045 5.585 ( 0.000 -9.708 -8.741) 13.063 7.400 ( 0.000 8.031 -0.914) 8.083 7.541 ( 0.000 -5.418 3.281) 6.334 7.579 ( 0.000 10.698 -9.352) 14.210 7.786 ( 0.000 -9.479 -8.405) 12.668 9.357 ( 0.000 2.226 3.144) 3.852 9.398 ( 0.000 -1.648 3.301) 3.690 9.465 ( 0.000 3.036 0.978) 3.190 9.536 ( 0.000 -3.966 -0.399) 3.986 10.568 ( 0.000 0.493 0.659) 0.823 10.580 ( 0.000 -0.683 0.064) 0.686 10.624 ( 0.000 0.210 1.527) 1.541 10.642 ( 0.000 -1.728 0.792) 1.901 11.023 ( 0.000 -0.019 2.652) 2.652 11.036 ( 0.000 -1.244 2.674) 2.949 11.176 ( 0.000 1.712 0.912) 1.940 11.229 ( 0.000 -3.771 -0.659) 3.828 11.338 ( 0.000 1.854 4.036) 4.441 11.359 ( 0.000 -0.270 2.727) 2.740 11.710 ( 0.000 2.641 0.058) 2.642 11.746 ( 0.000 -0.982 -1.422) 1.728 13.911 ( 0.000 0.238 0.916) 0.947 13.920 ( 0.000 -0.758 -0.448) 0.881 14.104 ( 0.000 3.834 -3.743) 5.358 14.161 ( 0.000 -2.177 -5.379) 5.803 22.639 ( 0.000 3.100 3.478) 4.659 22.702 ( 0.000 -3.114 1.792) 3.593 22.847 ( 0.000 -0.788 -3.736) 3.818 22.852 ( 0.000 -1.217 -2.767) 3.022 23.846 ( 0.000 2.699 4.228) 5.016 23.878 ( 0.000 -0.466 2.581) 2.623 24.124 ( 0.000 -0.412 0.019) 0.413 24.129 ( 0.000 -0.810 -0.457) 0.930 25.484 ( 0.000 2.607 5.779) 6.340 25.524 ( 0.000 0.460 5.635) 5.653 25.674 ( 0.000 0.250 3.480) 3.489 25.783 ( 0.000 -8.870 0.269) 8.874 26.167 ( 0.000 2.992 -2.062) 3.634 26.172 ( 0.000 2.291 -1.706) 2.857 26.519 ( 0.000 -0.045 -1.802) 1.803 26.530 ( 0.000 -1.095 -2.450) 2.684 ======================= Grid point 156 (59/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.403 5.069 1.244) 5.404 1.350 ( 1.555 -1.476 -0.478) 2.196 1.592 ( -3.950 6.436 6.171) 9.752 1.729 ( -3.387 -5.114 3.083) 6.865 1.921 ( -3.262 8.151 5.245) 10.227 2.097 ( -0.407 -6.077 1.861) 6.369 2.338 ( -8.599 2.127 6.211) 10.819 2.395 ( -4.680 -3.266 2.272) 6.143 2.494 ( -4.127 3.828 1.455) 5.815 2.611 ( -4.395 -1.398 0.120) 4.613 2.652 ( -3.682 -1.293 2.924) 4.877 2.716 ( -2.112 -5.466 -0.218) 5.864 3.043 ( 3.794 3.294 2.405) 5.570 3.092 ( 1.263 -0.910 2.633) 3.058 3.129 ( 0.548 -1.153 2.779) 3.058 3.176 ( -0.533 -4.594 1.768) 4.951 3.416 ( 9.519 13.499 4.526) 17.127 3.672 ( 8.429 -6.687 1.284) 10.836 3.733 ( 9.087 8.467 -6.702) 14.113 3.948 ( 7.872 -8.240 -9.457) 14.809 4.229 ( 0.532 0.911 5.697) 5.794 4.298 ( 2.313 -6.370 3.119) 7.460 4.439 ( -8.063 -0.135 -0.693) 8.093 4.461 ( -6.247 -1.457 -3.365) 7.243 4.834 ( 2.016 7.082 3.818) 8.294 4.949 ( -1.016 0.259 -0.077) 1.051 5.042 ( 3.721 3.731 -3.915) 6.564 5.146 ( 4.680 -2.154 3.300) 6.118 5.189 ( -2.955 -0.040 -7.409) 7.977 5.309 ( 1.007 -3.678 -4.974) 6.267 5.423 ( -1.501 3.773 -4.636) 6.163 5.603 ( 0.760 -10.649 -8.757) 13.808 7.373 ( -1.747 10.325 -1.528) 10.583 7.532 ( -4.043 12.225 -7.965) 15.141 7.559 ( 1.396 -8.610 0.487) 8.735 7.756 ( -2.821 -10.500 -7.741) 13.346 9.368 ( 0.997 3.007 2.995) 4.359 9.420 ( 1.625 -1.172 1.899) 2.761 9.460 ( -0.246 2.058 2.265) 3.070 9.535 ( -0.242 -4.400 0.100) 4.407 10.560 ( -0.939 2.440 0.896) 2.763 10.563 ( -1.044 2.099 0.853) 2.495 10.633 ( 0.499 -2.673 0.914) 2.869 10.640 ( -0.153 -3.164 0.900) 3.294 11.033 ( 1.037 -0.116 2.383) 2.602 11.043 ( 0.715 -1.064 2.427) 2.744 11.155 ( -1.762 1.129 0.944) 2.296 11.199 ( -2.630 -3.353 -0.247) 4.269 11.376 ( 3.506 2.171 3.335) 5.304 11.398 ( 3.543 -0.052 2.191) 4.166 11.683 ( -2.620 2.165 0.339) 3.416 11.714 ( -2.980 -0.995 -1.014) 3.302 13.921 ( 1.321 1.582 0.450) 2.109 13.952 ( 2.431 -1.394 -0.953) 2.959 14.084 ( -1.766 3.509 -3.022) 4.956 14.142 ( -1.768 -2.405 -4.827) 5.675 22.659 ( 1.778 3.572 2.568) 4.745 22.726 ( 1.958 -2.664 0.724) 3.384 22.822 ( -1.549 0.213 -2.344) 2.818 22.858 ( -0.212 -2.866 -3.085) 4.216 23.874 ( 2.558 2.760 3.905) 5.423 23.905 ( 2.447 -0.112 2.312) 3.368 24.101 ( -2.000 -0.219 0.514) 2.076 24.115 ( -1.442 -1.451 -0.362) 2.078 25.490 ( 0.702 2.674 5.187) 5.878 25.530 ( 0.548 1.077 4.637) 4.792 25.655 ( -1.540 -1.451 3.877) 4.416 25.750 ( -2.912 -8.642 0.880) 9.162 26.200 ( 3.051 3.907 -1.756) 5.259 26.209 ( 3.164 2.890 -1.714) 4.615 26.495 ( -2.151 -0.676 -1.635) 2.785 26.503 ( -2.454 -1.403 -2.084) 3.512 ======================= Grid point 157 (60/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.912 4.953 1.960) 7.245 1.419 ( 5.087 -1.630 -1.237) 5.483 1.473 ( -6.185 4.732 2.723) 8.250 1.587 ( -8.927 -5.263 -1.845) 10.526 1.940 ( 4.241 9.320 11.361) 15.294 2.048 ( -4.527 5.574 6.964) 10.003 2.183 ( -2.669 -9.147 10.968) 14.529 2.245 ( -7.112 -8.767 7.471) 13.537 2.482 ( 1.778 4.523 -2.216) 5.341 2.540 ( -3.134 4.812 -1.683) 5.984 2.624 ( 1.104 -7.642 -0.699) 7.753 2.668 ( -2.490 -6.567 -1.174) 7.121 3.082 ( 1.049 2.645 0.156) 2.850 3.099 ( -0.542 2.726 0.396) 2.808 3.157 ( 1.605 -4.790 -0.207) 5.056 3.178 ( -0.258 -4.806 -0.468) 4.835 3.649 ( 11.263 15.366 2.999) 19.286 3.794 ( 0.341 12.521 -3.359) 12.968 3.908 ( 7.573 -5.446 2.851) 9.754 4.043 ( -1.770 -6.870 -1.739) 7.305 4.252 ( -1.553 1.839 -0.394) 2.439 4.295 ( -3.906 0.024 -1.092) 4.056 4.304 ( 2.544 -5.589 0.186) 6.144 4.375 ( -2.004 -7.713 -3.313) 8.630 4.881 ( 3.308 9.741 0.336) 10.292 4.946 ( -0.656 8.478 -2.447) 8.848 5.053 ( -1.450 -0.157 -3.012) 3.347 5.109 ( -4.053 1.188 -5.778) 7.157 5.260 ( 6.075 -0.802 0.912) 6.195 5.376 ( -3.873 5.208 -3.479) 7.364 5.417 ( 8.663 -11.887 1.833) 14.823 5.570 ( -4.644 -11.925 -4.298) 13.500 7.363 ( 1.350 12.956 -4.367) 13.738 7.432 ( -4.752 13.214 -7.314) 15.833 7.603 ( 2.902 -11.435 -2.305) 12.020 7.679 ( -4.091 -11.910 -5.665) 13.809 9.396 ( 1.547 4.179 2.234) 4.985 9.425 ( -1.079 4.358 0.798) 4.560 9.483 ( 2.136 -4.376 3.197) 5.826 9.521 ( -1.223 -4.999 1.396) 5.333 10.541 ( -0.485 4.701 1.396) 4.928 10.544 ( -0.726 4.478 1.208) 4.694 10.637 ( 0.047 -4.885 0.999) 4.987 10.639 ( -0.056 -4.913 0.841) 4.985 11.066 ( 1.682 -0.242 1.922) 2.566 11.068 ( 1.885 -0.327 1.454) 2.403 11.113 ( -1.883 -0.387 1.183) 2.257 11.134 ( -3.147 -2.416 0.515) 4.001 11.473 ( 5.185 3.018 2.099) 6.356 11.493 ( 4.739 1.430 1.204) 5.094 11.606 ( -4.166 0.299 0.974) 4.289 11.628 ( -4.858 -1.527 -0.027) 5.092 13.964 ( 2.587 3.281 -0.623) 4.225 14.003 ( 0.971 1.700 -2.632) 3.280 14.045 ( -0.508 -0.503 -1.251) 1.441 14.092 ( -2.915 -2.943 -3.370) 5.340 22.706 ( 2.548 4.247 0.482) 4.976 22.751 ( -0.899 3.008 -1.476) 3.469 22.806 ( 1.016 -4.165 -0.479) 4.314 22.840 ( -1.463 -4.407 -2.071) 5.085 23.941 ( 3.342 3.445 3.007) 5.664 23.964 ( 2.259 2.178 1.778) 3.606 24.051 ( -1.998 -1.925 1.301) 3.065 24.070 ( -2.623 -2.751 0.253) 3.810 25.514 ( 1.473 3.431 3.888) 5.390 25.539 ( -0.312 3.909 2.908) 4.882 25.633 ( 0.345 -6.629 4.379) 7.952 25.679 ( -3.390 -8.268 2.486) 9.276 26.276 ( 3.340 6.486 -1.582) 7.465 26.282 ( 2.929 5.935 -1.666) 6.825 26.439 ( -2.586 -3.305 -1.306) 4.395 26.441 ( -2.790 -3.531 -1.311) 4.687 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 0.000 -3.378) 3.378 1.149 ( 0.000 0.000 3.378) 3.378 1.766 ( 0.000 0.000 -4.823) 4.823 1.766 ( 0.000 0.000 4.823) 4.823 1.794 ( 0.000 0.000 -15.460) 15.460 1.794 ( 0.000 0.000 15.460) 15.460 2.442 ( 0.000 0.000 -5.947) 5.947 2.442 ( 0.000 0.000 5.947) 5.947 2.452 ( 0.000 0.000 -2.934) 2.934 2.452 ( 0.000 0.000 2.934) 2.934 2.779 ( 0.000 0.000 -6.510) 6.510 2.779 ( 0.000 0.000 6.510) 6.510 3.023 ( 0.000 0.000 -8.782) 8.782 3.023 ( 0.000 0.000 8.782) 8.782 3.249 ( 0.000 0.000 -3.450) 3.450 3.249 ( 0.000 0.000 3.450) 3.450 3.853 ( 0.000 0.000 -2.291) 2.291 3.853 ( 0.000 0.000 2.291) 2.291 3.891 ( 0.000 0.000 -0.737) 0.737 3.891 ( 0.000 0.000 0.737) 0.737 4.326 ( 0.000 0.000 -0.452) 0.452 4.326 ( 0.000 0.000 0.452) 0.452 4.386 ( 0.000 0.000 -0.962) 0.962 4.386 ( 0.000 0.000 0.962) 0.962 4.580 ( 0.000 0.000 -2.239) 2.239 4.580 ( 0.000 0.000 2.239) 2.239 5.131 ( 0.000 0.000 -6.415) 6.415 5.131 ( 0.000 0.000 6.415) 6.415 5.278 ( 0.000 0.000 -3.474) 3.474 5.278 ( 0.000 0.000 3.474) 3.474 5.827 ( 0.000 0.000 -8.353) 8.353 5.827 ( 0.000 0.000 8.353) 8.353 6.949 ( 0.000 0.000 -0.473) 0.473 6.949 ( 0.000 0.000 0.473) 0.473 7.885 ( 0.000 0.000 -9.051) 9.051 7.885 ( 0.000 0.000 9.051) 9.051 9.318 ( 0.000 0.000 -1.602) 1.602 9.318 ( 0.000 0.000 1.602) 1.602 9.623 ( 0.000 0.000 -5.821) 5.821 9.623 ( 0.000 0.000 5.821) 5.821 10.587 ( 0.000 0.000 -1.370) 1.370 10.587 ( 0.000 0.000 1.370) 1.370 10.706 ( 0.000 0.000 -2.992) 2.992 10.706 ( 0.000 0.000 2.992) 2.992 11.116 ( 0.000 0.000 -1.239) 1.239 11.116 ( 0.000 0.000 1.239) 1.239 11.243 ( 0.000 0.000 -0.643) 0.643 11.243 ( 0.000 0.000 0.643) 0.643 11.379 ( 0.000 0.000 -9.200) 9.200 11.379 ( 0.000 0.000 9.200) 9.200 11.615 ( 0.000 0.000 -3.685) 3.685 11.615 ( 0.000 0.000 3.685) 3.685 13.910 ( 0.000 0.000 -2.665) 2.665 13.910 ( 0.000 0.000 2.665) 2.665 14.075 ( 0.000 0.000 -7.438) 7.438 14.075 ( 0.000 0.000 7.438) 7.438 22.676 ( 0.000 0.000 -6.680) 6.680 22.676 ( 0.000 0.000 6.680) 6.680 22.938 ( 0.000 0.000 -0.154) 0.154 22.938 ( 0.000 0.000 0.154) 0.154 23.814 ( 0.000 0.000 -3.381) 3.381 23.814 ( 0.000 0.000 3.381) 3.381 24.152 ( 0.000 0.000 -0.430) 0.430 24.152 ( 0.000 0.000 0.430) 0.430 25.479 ( 0.000 0.000 -0.977) 0.977 25.479 ( 0.000 0.000 0.977) 0.977 25.841 ( 0.000 0.000 -2.368) 2.368 25.841 ( 0.000 0.000 2.368) 2.368 26.207 ( 0.000 0.000 -3.162) 3.162 26.207 ( 0.000 0.000 3.162) 3.162 26.490 ( 0.000 0.000 -1.513) 1.513 26.490 ( 0.000 0.000 1.513) 1.513 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -3.186 0.000 -2.616) 4.122 1.103 ( -3.186 0.000 2.616) 4.122 1.606 ( -13.163 0.000 -15.691) 20.481 1.606 ( -13.163 0.000 15.691) 20.481 1.893 ( 9.977 0.000 -5.180) 11.242 1.893 ( 9.977 0.000 5.180) 11.242 2.456 ( 0.351 0.000 -2.564) 2.588 2.456 ( 0.351 0.000 2.564) 2.588 2.532 ( 5.656 0.000 -4.791) 7.413 2.532 ( 5.656 0.000 4.791) 7.413 2.859 ( 5.156 0.000 -7.183) 8.842 2.859 ( 5.156 0.000 7.183) 8.842 2.996 ( -2.168 0.000 -7.286) 7.602 2.996 ( -2.168 0.000 7.286) 7.602 3.298 ( 4.315 0.000 -4.192) 6.016 3.298 ( 4.315 0.000 4.192) 6.016 3.650 ( -9.310 0.000 -3.712) 10.023 3.650 ( -9.310 0.000 3.712) 10.023 4.016 ( 4.350 0.000 -5.246) 6.815 4.016 ( 4.350 0.000 5.246) 6.815 4.265 ( -10.025 0.000 -2.919) 10.441 4.265 ( -10.025 0.000 2.919) 10.441 4.328 ( -1.778 0.000 -7.954) 8.151 4.328 ( -1.778 0.000 7.954) 8.151 4.548 ( 0.020 0.000 -1.793) 1.793 4.548 ( 0.020 0.000 1.793) 1.793 5.138 ( -1.212 0.000 -4.393) 4.557 5.138 ( -1.212 0.000 4.393) 4.557 5.366 ( 6.978 0.000 -3.080) 7.627 5.366 ( 6.978 0.000 3.080) 7.627 5.886 ( 5.309 0.000 -7.800) 9.435 5.886 ( 5.309 0.000 7.800) 9.435 6.855 ( -7.555 0.000 -3.375) 8.274 6.855 ( -7.555 0.000 3.375) 8.274 7.945 ( 4.621 0.000 -7.073) 8.449 7.945 ( 4.621 0.000 7.073) 8.449 9.296 ( -1.750 0.000 -1.538) 2.330 9.296 ( -1.750 0.000 1.538) 2.330 9.660 ( 3.084 0.000 -4.614) 5.550 9.660 ( 3.084 0.000 4.614) 5.550 10.498 ( -5.760 0.000 -0.604) 5.792 10.498 ( -5.760 0.000 0.604) 5.792 10.770 ( 3.562 0.000 -1.311) 3.796 10.770 ( 3.562 0.000 1.311) 3.796 11.130 ( 1.222 0.000 -1.462) 1.906 11.130 ( 1.222 0.000 1.462) 1.906 11.247 ( 0.371 0.000 -1.314) 1.365 11.247 ( 0.371 0.000 1.314) 1.365 11.365 ( -1.176 0.000 -8.060) 8.145 11.365 ( -1.176 0.000 8.060) 8.145 11.601 ( -1.248 0.000 -3.305) 3.532 11.601 ( -1.248 0.000 3.305) 3.532 13.886 ( -1.768 0.000 -1.287) 2.187 13.886 ( -1.768 0.000 1.287) 2.187 14.096 ( 1.543 0.000 -5.056) 5.287 14.096 ( 1.543 0.000 5.056) 5.287 22.649 ( -2.059 0.000 -5.153) 5.549 22.649 ( -2.059 0.000 5.153) 5.549 22.956 ( 1.359 0.000 -1.424) 1.969 22.956 ( 1.359 0.000 1.424) 1.969 23.840 ( 2.189 0.000 -2.580) 3.384 23.840 ( 2.189 0.000 2.580) 3.384 24.138 ( -1.102 0.000 -0.412) 1.177 24.138 ( -1.102 0.000 0.412) 1.177 25.507 ( 2.387 0.000 -0.972) 2.577 25.507 ( 2.387 0.000 0.972) 2.577 25.842 ( 0.052 0.000 -1.925) 1.926 25.842 ( 0.052 0.000 1.925) 1.926 26.206 ( -0.071 0.000 -2.566) 2.567 26.206 ( -0.071 0.000 2.567) 2.567 26.464 ( -2.155 0.000 -1.141) 2.438 26.464 ( -2.155 0.000 1.141) 2.438 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.353 0.000 -0.972) 1.666 1.052 ( -1.353 0.000 0.972) 1.666 1.385 ( -6.151 0.000 -7.294) 9.541 1.385 ( -6.151 0.000 7.294) 9.541 2.079 ( 5.693 0.000 -2.910) 6.393 2.079 ( 5.693 0.000 2.910) 6.393 2.465 ( 0.404 0.000 -1.165) 1.233 2.465 ( 0.404 0.000 1.165) 1.233 2.649 ( 5.160 0.000 -2.756) 5.850 2.649 ( 5.160 0.000 2.756) 5.850 2.874 ( -3.459 0.000 -4.746) 5.873 2.874 ( -3.459 0.000 4.746) 5.873 2.952 ( -1.529 0.000 -3.208) 3.554 2.952 ( -1.529 0.000 3.208) 3.554 3.401 ( 4.185 0.000 -2.814) 5.043 3.401 ( 4.185 0.000 2.814) 5.044 3.544 ( -1.268 0.000 -2.764) 3.041 3.544 ( -1.268 0.000 2.764) 3.041 4.056 ( -7.363 0.000 -2.289) 7.711 4.056 ( -7.363 0.000 2.289) 7.711 4.103 ( 4.603 0.000 -5.265) 6.993 4.103 ( 4.603 0.000 5.265) 6.993 4.236 ( -5.382 0.000 -6.331) 8.309 4.236 ( -5.382 0.000 6.331) 8.309 4.611 ( 3.688 0.000 -1.184) 3.873 4.611 ( 3.688 0.000 1.184) 3.873 5.064 ( -4.090 0.000 -3.428) 5.336 5.064 ( -4.090 0.000 3.428) 5.336 5.499 ( 4.146 0.000 -1.467) 4.398 5.499 ( 4.146 0.000 1.467) 4.398 5.998 ( 3.745 0.000 -3.184) 4.916 5.998 ( 3.745 0.000 3.184) 4.916 6.710 ( -4.611 0.000 -2.090) 5.063 6.710 ( -4.611 0.000 2.090) 5.063 8.027 ( 2.376 0.000 -2.595) 3.519 8.027 ( 2.376 0.000 2.595) 3.519 9.263 ( -0.991 0.000 -0.676) 1.200 9.263 ( -0.991 0.000 0.676) 1.200 9.722 ( 2.069 0.000 -1.785) 2.732 9.722 ( 2.069 0.000 1.785) 2.732 10.399 ( -2.909 0.000 -0.427) 2.940 10.399 ( -2.909 0.000 0.427) 2.940 10.822 ( 1.292 0.000 -0.403) 1.353 10.822 ( 1.292 0.000 0.403) 1.353 11.155 ( 0.861 0.000 -0.843) 1.205 11.155 ( 0.861 0.000 0.843) 1.205 11.257 ( 0.473 0.000 -1.386) 1.465 11.257 ( 0.473 0.000 1.386) 1.465 11.339 ( -0.972 0.000 -3.909) 4.028 11.339 ( -0.972 0.000 3.909) 4.028 11.575 ( -0.876 0.000 -1.504) 1.740 11.575 ( -0.876 0.000 1.504) 1.740 13.855 ( -0.875 0.000 -0.314) 0.930 13.855 ( -0.875 0.000 0.314) 0.930 14.122 ( 0.736 0.000 -1.634) 1.792 14.122 ( 0.736 0.000 1.634) 1.792 22.612 ( -1.081 0.000 -1.867) 2.157 22.612 ( -1.081 0.000 1.867) 2.157 22.980 ( 0.704 0.000 -0.740) 1.022 22.980 ( 0.704 0.000 0.740) 1.022 23.883 ( 1.356 0.000 -0.887) 1.621 23.883 ( 1.356 0.000 0.887) 1.621 24.116 ( -0.722 0.000 -0.251) 0.765 24.116 ( -0.722 0.000 0.251) 0.765 25.555 ( 1.576 0.000 -0.473) 1.645 25.555 ( 1.576 0.000 0.473) 1.645 25.843 ( 0.032 0.000 -0.741) 0.742 25.843 ( 0.032 0.000 0.741) 0.742 26.205 ( -0.044 0.000 -0.986) 0.987 26.205 ( -0.044 0.000 0.986) 0.987 26.420 ( -1.455 0.000 -0.377) 1.503 26.420 ( -1.455 0.000 0.377) 1.503 ======================= Grid point 185 (64/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 0.951 -0.498) 1.073 1.153 ( 0.000 0.951 0.498) 1.073 1.810 ( 0.000 4.383 -2.692) 5.144 1.810 ( 0.000 4.383 2.692) 5.144 1.826 ( 0.000 2.211 -8.616) 8.895 1.826 ( 0.000 2.211 8.616) 8.895 2.425 ( 0.000 0.069 -1.197) 1.199 2.425 ( 0.000 0.069 1.197) 1.199 2.521 ( 0.000 5.127 -1.527) 5.350 2.521 ( 0.000 5.127 1.527) 5.350 2.806 ( 0.000 3.078 -4.227) 5.229 2.806 ( 0.000 3.078 4.227) 5.229 2.981 ( 0.000 -4.803 -7.184) 8.642 2.981 ( 0.000 -4.803 7.184) 8.642 3.242 ( 0.000 -0.257 -4.962) 4.969 3.242 ( 0.000 -0.257 4.962) 4.969 3.682 ( 0.000 -13.044 -0.050) 13.044 3.682 ( 0.000 -13.044 0.050) 13.044 3.877 ( 0.000 -1.510 -2.520) 2.938 3.877 ( 0.000 -1.510 2.520) 2.938 4.318 ( 0.000 -0.522 -0.476) 0.707 4.318 ( 0.000 -0.522 0.476) 0.707 4.562 ( 0.000 8.424 -3.179) 9.004 4.562 ( 0.000 8.424 3.179) 9.004 4.591 ( 0.000 5.789 -0.647) 5.825 4.591 ( 0.000 5.789 0.647) 5.825 5.013 ( 0.000 -8.343 -6.970) 10.871 5.013 ( 0.000 -8.343 6.970) 10.871 5.317 ( 0.000 0.817 -3.309) 3.409 5.317 ( 0.000 0.817 3.309) 3.409 5.746 ( 0.000 -7.307 -8.872) 11.493 5.746 ( 0.000 -7.307 8.872) 11.493 7.038 ( 0.000 8.269 -1.329) 8.376 7.038 ( 0.000 8.269 1.329) 8.376 7.855 ( 0.000 -2.987 -8.801) 9.294 7.855 ( 0.000 -2.987 8.801) 9.294 9.328 ( 0.000 1.099 -1.682) 2.009 9.328 ( 0.000 1.099 1.682) 2.009 9.607 ( 0.000 -1.603 -5.335) 5.571 9.607 ( 0.000 -1.603 5.335) 5.571 10.585 ( 0.000 -0.198 -1.222) 1.238 10.585 ( 0.000 -0.198 1.222) 1.238 10.694 ( 0.000 -1.149 -2.568) 2.814 10.694 ( 0.000 -1.149 2.568) 2.814 11.095 ( 0.000 -1.558 -0.209) 1.572 11.095 ( 0.000 -1.558 0.209) 1.572 11.271 ( 0.000 1.852 -1.493) 2.379 11.271 ( 0.000 1.852 1.493) 2.379 11.343 ( 0.000 -2.599 -7.213) 7.667 11.343 ( 0.000 -2.599 7.213) 7.667 11.645 ( 0.000 2.474 -3.743) 4.487 11.645 ( 0.000 2.474 3.743) 4.487 13.914 ( 0.000 0.366 -1.701) 1.740 13.914 ( 0.000 0.366 1.701) 1.740 14.075 ( 0.000 0.091 -7.016) 7.017 14.075 ( 0.000 0.091 7.016) 7.017 22.678 ( 0.000 0.271 -6.250) 6.256 22.678 ( 0.000 0.271 6.250) 6.256 22.915 ( 0.000 -2.202 -0.316) 2.225 22.915 ( 0.000 -2.202 0.316) 2.225 23.828 ( 0.000 1.405 -3.084) 3.389 23.828 ( 0.000 1.405 3.084) 3.389 24.147 ( 0.000 -0.484 -0.355) 0.600 24.147 ( 0.000 -0.484 0.355) 0.600 25.479 ( 0.000 0.296 -0.467) 0.553 25.479 ( 0.000 0.296 0.467) 0.553 25.879 ( 0.000 3.038 -3.427) 4.580 25.879 ( 0.000 3.038 3.427) 4.580 26.141 ( 0.000 -5.420 -1.834) 5.721 26.141 ( 0.000 -5.420 1.834) 5.721 26.508 ( 0.000 1.187 -1.090) 1.611 26.508 ( 0.000 1.187 1.090) 1.611 ======================= Grid point 187 (65/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.378 3.542 -0.944) 3.685 1.143 ( -0.378 3.542 0.944) 3.685 1.649 ( -12.773 3.974 -13.425) 18.952 1.649 ( -12.773 3.974 13.425) 18.952 1.886 ( 5.749 0.265 -5.413) 7.901 1.886 ( 5.749 0.265 5.413) 7.901 2.445 ( 0.703 -0.307 -1.557) 1.735 2.445 ( 0.703 -0.307 1.557) 1.735 2.583 ( 5.290 2.297 -3.150) 6.571 2.583 ( 5.290 2.297 3.150) 6.571 2.883 ( 4.317 3.701 -3.447) 6.649 2.883 ( 4.317 3.701 3.447) 6.649 2.949 ( -2.653 -5.085 -6.178) 8.429 2.949 ( -2.653 -5.085 6.178) 8.429 3.291 ( 4.317 -0.304 -4.999) 6.612 3.291 ( 4.317 -0.304 4.999) 6.612 3.528 ( -7.950 -9.780 -1.620) 12.707 3.528 ( -7.950 -9.780 1.620) 12.707 3.989 ( 5.708 -1.851 -4.729) 7.641 3.989 ( 5.708 -1.851 4.729) 7.641 4.278 ( -3.991 1.081 -3.617) 5.494 4.278 ( -3.991 1.081 3.617) 5.494 4.450 ( -8.666 6.698 -4.805) 11.961 4.450 ( -8.666 6.698 4.805) 11.961 4.589 ( 1.491 6.509 -1.806) 6.918 4.589 ( 1.491 6.509 1.806) 6.918 5.044 ( 0.584 -7.461 -4.806) 8.894 5.044 ( 0.584 -7.461 4.806) 8.894 5.375 ( 4.489 -0.577 -2.523) 5.181 5.375 ( 4.489 -0.577 2.523) 5.181 5.801 ( 5.062 -7.693 -8.320) 12.411 5.801 ( 5.062 -7.693 8.320) 12.411 6.952 ( -6.868 9.003 -3.300) 11.795 6.952 ( -6.868 9.003 3.300) 11.795 7.906 ( 3.823 -3.957 -6.854) 8.789 7.906 ( 3.823 -3.957 6.854) 8.789 9.311 ( -1.389 1.528 -1.565) 2.591 9.311 ( -1.389 1.528 1.565) 2.591 9.640 ( 2.728 -2.023 -4.240) 5.433 9.640 ( 2.728 -2.023 4.240) 5.433 10.506 ( -5.083 0.851 -0.539) 5.182 10.506 ( -5.083 0.851 0.539) 5.182 10.751 ( 3.172 -1.864 -1.073) 3.833 10.751 ( 3.172 -1.864 1.073) 3.833 11.107 ( 1.111 -1.717 -0.965) 2.262 11.107 ( 1.111 -1.717 0.965) 2.262 11.263 ( -0.969 0.101 -1.428) 1.728 11.263 ( -0.969 0.101 1.428) 1.728 11.345 ( 0.541 -0.496 -4.395) 4.456 11.345 ( 0.541 -0.496 4.395) 4.456 11.629 ( -1.478 2.293 -3.205) 4.209 11.629 ( -1.478 2.293 3.205) 4.209 13.896 ( -1.383 0.942 -0.635) 1.790 13.896 ( -1.383 0.942 0.635) 1.790 14.092 ( 1.226 -0.400 -4.954) 5.119 14.092 ( 1.226 -0.400 4.954) 5.119 22.656 ( -1.733 0.697 -4.875) 5.221 22.656 ( -1.733 0.697 4.875) 5.221 22.933 ( 1.334 -2.282 -1.420) 3.001 22.933 ( 1.334 -2.282 1.420) 3.001 23.852 ( 2.018 1.221 -2.390) 3.358 23.852 ( 2.018 1.221 2.390) 3.358 24.134 ( -1.031 -0.409 -0.433) 1.191 24.134 ( -1.031 -0.409 0.433) 1.191 25.498 ( 1.557 -0.481 -0.580) 1.730 25.498 ( 1.557 -0.481 0.580) 1.730 25.893 ( 1.259 4.054 -3.082) 5.246 25.893 ( 1.259 4.054 3.082) 5.246 26.126 ( -1.400 -6.353 -1.590) 6.697 26.126 ( -1.400 -6.353 1.590) 6.697 26.491 ( -1.375 1.676 -0.821) 2.318 26.491 ( -1.375 1.676 0.821) 2.318 ======================= Grid point 189 (66/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.435 8.956 -1.814) 9.250 1.156 ( 1.435 8.956 1.814) 9.250 1.416 ( -7.452 3.243 -7.410) 10.998 1.416 ( -7.452 3.243 7.410) 10.998 1.992 ( 3.208 -5.951 -2.116) 7.084 1.992 ( 3.208 -5.951 2.116) 7.084 2.453 ( 0.179 -0.391 -1.090) 1.172 2.453 ( 0.179 -0.391 1.090) 1.172 2.702 ( 4.708 -4.729 -1.103) 6.764 2.702 ( 4.708 -4.729 1.103) 6.764 2.861 ( -2.876 4.442 -4.775) 7.128 2.861 ( -2.876 4.442 4.775) 7.128 2.921 ( -1.698 -1.833 -3.044) 3.938 2.921 ( -1.698 -1.833 3.044) 3.938 3.388 ( 3.873 -0.745 -2.083) 4.460 3.388 ( 3.873 -0.745 2.083) 4.460 3.447 ( -0.903 -7.164 -0.576) 7.244 3.447 ( -0.903 -7.164 0.576) 7.244 4.079 ( 2.661 0.398 -4.632) 5.357 4.079 ( 2.661 0.398 4.632) 5.357 4.176 ( -3.811 4.925 -2.772) 6.816 4.176 ( -3.811 4.925 2.772) 6.816 4.289 ( -5.117 6.234 -3.003) 8.606 4.289 ( -5.117 6.234 3.003) 8.606 4.668 ( 4.442 5.703 -3.148) 7.885 4.668 ( 4.442 5.703 3.148) 7.885 4.990 ( -4.262 -6.587 -4.184) 8.892 4.990 ( -4.262 -6.588 4.184) 8.892 5.466 ( 3.055 -3.410 -1.405) 4.788 5.466 ( 3.055 -3.410 1.405) 4.788 5.910 ( 3.599 -8.116 -3.420) 9.514 5.910 ( 3.599 -8.116 3.420) 9.514 6.821 ( -4.072 10.258 -1.965) 11.210 6.821 ( -4.072 10.258 1.965) 11.210 7.973 ( 1.875 -5.502 -2.510) 6.331 7.973 ( 1.875 -5.502 2.510) 6.331 9.285 ( -0.766 2.197 -0.668) 2.421 9.285 ( -0.766 2.197 0.668) 2.421 9.694 ( 1.793 -2.767 -1.629) 3.678 9.694 ( 1.793 -2.767 1.629) 3.678 10.420 ( -2.515 2.069 -0.376) 3.278 10.420 ( -2.515 2.069 0.376) 3.278 10.797 ( 1.119 -2.474 -0.309) 2.733 10.797 ( 1.119 -2.474 0.309) 2.733 11.134 ( 1.124 -1.716 -0.732) 2.178 11.134 ( 1.124 -1.716 0.732) 2.178 11.234 ( -1.293 -2.540 -1.478) 3.211 11.234 ( -1.293 -2.540 1.478) 3.211 11.366 ( 0.945 2.885 -1.189) 3.260 11.366 ( 0.945 2.885 1.189) 3.260 11.595 ( -1.237 1.636 -1.433) 2.502 11.595 ( -1.237 1.636 1.433) 2.502 13.872 ( -0.702 1.620 -0.025) 1.766 13.872 ( -0.702 1.620 0.025) 1.766 14.113 ( 0.605 -0.941 -1.642) 1.987 14.113 ( 0.605 -0.941 1.642) 1.987 22.625 ( -0.910 1.287 -1.784) 2.381 22.625 ( -0.910 1.287 1.784) 2.381 22.957 ( 0.702 -2.352 -0.732) 2.561 22.957 ( 0.702 -2.352 0.732) 2.561 23.893 ( 1.297 1.031 -0.868) 1.871 23.893 ( 1.297 1.031 0.868) 1.871 24.113 ( -0.715 -0.371 -0.311) 0.863 24.113 ( -0.715 -0.371 0.311) 0.863 25.528 ( 0.962 -1.776 -0.314) 2.044 25.528 ( 0.962 -1.776 0.314) 2.044 25.924 ( 1.294 6.922 -1.561) 7.213 25.924 ( 1.294 6.922 1.561) 7.213 26.091 ( -1.401 -9.043 -0.861) 9.191 26.091 ( -1.401 -9.043 0.861) 9.191 26.464 ( -0.844 2.476 -0.290) 2.632 26.464 ( -0.844 2.476 0.290) 2.632 ======================= Grid point 195 (67/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 4.633 -3.251) 5.660 1.206 ( 0.000 4.633 3.251) 5.660 1.830 ( 0.000 -1.837 -6.900) 7.140 1.830 ( 0.000 -1.837 6.900) 7.140 1.926 ( 0.000 6.413 -5.887) 8.705 1.926 ( 0.000 6.413 5.887) 8.705 2.434 ( 0.000 0.147 -0.750) 0.764 2.434 ( 0.000 0.147 0.750) 0.764 2.638 ( 0.000 6.237 -1.924) 6.527 2.638 ( 0.000 6.237 1.924) 6.527 2.831 ( 0.000 -8.746 -1.993) 8.970 2.831 ( 0.000 -8.746 1.993) 8.970 2.913 ( 0.000 7.059 -4.257) 8.243 2.913 ( 0.000 7.059 4.257) 8.243 3.263 ( 0.000 3.064 -7.041) 7.679 3.263 ( 0.000 3.064 7.041) 7.679 3.448 ( 0.000 -10.213 -0.470) 10.224 3.448 ( 0.000 -10.213 0.471) 10.224 3.806 ( 0.000 -6.269 -5.393) 8.270 3.806 ( 0.000 -6.269 5.393) 8.270 4.317 ( 0.000 0.432 -1.978) 2.025 4.317 ( 0.000 0.432 1.978) 2.025 4.553 ( 0.000 -2.665 -2.217) 3.466 4.553 ( 0.000 -2.665 2.217) 3.466 4.839 ( 0.000 8.638 -0.857) 8.681 4.839 ( 0.000 8.638 0.857) 8.681 4.913 ( 0.000 2.884 -9.208) 9.649 4.913 ( 0.000 2.884 9.208) 9.649 5.263 ( 0.000 -6.363 -0.792) 6.412 5.263 ( 0.000 -6.363 0.792) 6.412 5.588 ( 0.000 -8.085 -7.958) 11.344 5.588 ( 0.000 -8.085 7.958) 11.344 7.232 ( 0.000 10.833 -3.124) 11.275 7.232 ( 0.000 10.833 3.124) 11.275 7.771 ( 0.000 -5.605 -8.020) 9.784 7.771 ( 0.000 -5.605 8.020) 9.784 9.360 ( 0.000 2.129 -1.864) 2.830 9.360 ( 0.000 2.129 1.864) 2.830 9.563 ( 0.000 -2.764 -4.172) 5.004 9.563 ( 0.000 -2.764 4.172) 5.004 10.581 ( 0.000 -0.224 -0.830) 0.860 10.581 ( 0.000 -0.224 0.830) 0.860 10.667 ( 0.000 -1.443 -1.601) 2.155 10.667 ( 0.000 -1.443 1.601) 2.155 11.069 ( 0.000 -0.938 -0.840) 1.260 11.069 ( 0.000 -0.938 0.840) 1.260 11.249 ( 0.000 -3.051 -4.362) 5.323 11.249 ( 0.000 -3.051 4.362) 5.323 11.349 ( 0.000 2.309 -1.556) 2.784 11.349 ( 0.000 2.309 1.556) 2.784 11.692 ( 0.000 2.025 -2.761) 3.423 11.692 ( 0.000 2.025 2.761) 3.423 13.920 ( 0.000 0.128 -0.294) 0.321 13.920 ( 0.000 0.128 0.294) 0.321 14.079 ( 0.000 0.290 -5.183) 5.191 14.079 ( 0.000 0.290 5.183) 5.191 22.688 ( 0.000 0.720 -4.954) 5.006 22.688 ( 0.000 0.720 4.954) 5.006 22.861 ( 0.000 -3.072 -0.765) 3.166 22.861 ( 0.000 -3.072 0.765) 3.166 23.863 ( 0.000 2.002 -2.198) 2.973 23.863 ( 0.000 2.002 2.198) 2.973 24.135 ( 0.000 -0.677 -0.188) 0.703 24.135 ( 0.000 -0.677 0.188) 0.703 25.501 ( 0.000 2.186 -0.734) 2.306 25.501 ( 0.000 2.186 0.734) 2.307 25.875 ( 0.000 -5.246 -5.876) 7.877 25.875 ( 0.000 -5.246 5.876) 7.877 26.090 ( 0.000 2.036 -1.033) 2.283 26.090 ( 0.000 2.036 1.033) 2.283 26.518 ( 0.000 -0.275 -0.676) 0.730 26.518 ( 0.000 -0.275 0.676) 0.730 ======================= Grid point 197 (68/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.134 4.795 -3.184) 6.138 1.225 ( 2.134 4.795 3.184) 6.138 1.713 ( -9.441 1.296 -9.237) 13.271 1.713 ( -9.441 1.296 9.237) 13.271 1.946 ( 1.004 6.058 -8.158) 10.211 1.946 ( 1.004 6.058 8.158) 10.211 2.437 ( 0.449 -1.158 -1.927) 2.293 2.437 ( 0.449 -1.158 1.927) 2.293 2.580 ( -3.214 -1.340 -4.259) 5.501 2.580 ( -3.214 -1.340 4.259) 5.501 2.800 ( -2.447 -8.225 -5.335) 10.104 2.800 ( -2.447 -8.225 5.335) 10.104 3.012 ( 4.648 6.471 -1.813) 8.171 3.012 ( 4.648 6.471 1.813) 8.171 3.301 ( 1.085 -1.756 -4.767) 5.195 3.301 ( 1.085 -1.756 4.768) 5.195 3.370 ( -0.390 -1.162 -5.388) 5.525 3.370 ( -0.390 -1.162 5.388) 5.525 3.931 ( 7.921 -4.733 -5.509) 10.746 3.931 ( 7.921 -4.733 5.509) 10.746 4.310 ( -0.789 1.767 -4.968) 5.332 4.310 ( -0.789 1.767 4.968) 5.332 4.471 ( -5.986 -2.618 -1.708) 6.753 4.471 ( -5.986 -2.618 1.708) 6.753 4.795 ( -2.997 10.024 -3.087) 10.908 4.795 ( -2.997 10.024 3.087) 10.908 4.946 ( 1.820 0.485 -5.955) 6.246 4.946 ( 1.820 0.485 5.955) 6.246 5.315 ( 3.248 -5.366 -2.005) 6.585 5.315 ( 3.248 -5.366 2.005) 6.585 5.625 ( 3.825 -9.687 -8.525) 13.459 5.625 ( 3.825 -9.687 8.525) 13.459 7.166 ( -5.360 12.064 -3.560) 13.673 7.166 ( -5.360 12.064 3.560) 13.673 7.795 ( 1.698 -7.307 -6.230) 9.751 7.795 ( 1.698 -7.307 6.230) 9.751 9.353 ( -0.530 2.776 -1.663) 3.279 9.353 ( -0.530 2.776 1.663) 3.279 9.585 ( 1.809 -3.456 -3.368) 5.154 9.585 ( 1.809 -3.456 3.368) 5.154 10.531 ( -3.250 1.715 -0.350) 3.692 10.531 ( -3.250 1.715 0.350) 3.692 10.703 ( 2.048 -2.916 -0.625) 3.618 10.703 ( 2.048 -2.916 0.625) 3.618 11.078 ( 0.848 -1.122 -0.840) 1.638 11.078 ( 0.848 -1.122 0.840) 1.638 11.224 ( -2.156 -2.911 -3.680) 5.164 11.224 ( -2.156 -2.911 3.680) 5.164 11.377 ( 2.475 2.582 -1.443) 3.857 11.377 ( 2.475 2.582 1.443) 3.857 11.671 ( -1.963 1.757 -2.356) 3.534 11.671 ( -1.963 1.757 2.356) 3.534 13.918 ( -0.172 1.122 -1.178) 1.635 13.918 ( -0.172 1.122 1.178) 1.635 14.082 ( 0.206 -0.563 -4.216) 4.258 14.082 ( 0.206 -0.563 4.216) 4.258 22.677 ( -0.818 1.504 -4.057) 4.404 22.677 ( -0.818 1.504 4.057) 4.404 22.874 ( 1.022 -3.490 -1.530) 3.945 22.874 ( 1.022 -3.490 1.530) 3.945 23.886 ( 1.896 2.022 -1.840) 3.327 23.886 ( 1.896 2.022 1.840) 3.327 24.123 ( -1.057 -0.766 -0.546) 1.415 24.123 ( -1.057 -0.766 0.546) 1.415 25.506 ( 0.385 1.553 -0.629) 1.719 25.506 ( 0.385 1.553 0.629) 1.719 25.877 ( 0.039 -7.145 -5.153) 8.810 25.877 ( 0.039 -7.145 5.153) 8.810 26.093 ( 0.377 4.506 -1.699) 4.830 26.093 ( 0.377 4.506 1.699) 4.830 26.504 ( -1.161 -0.480 -0.514) 1.358 26.504 ( -1.161 -0.480 0.514) 1.358 ======================= Grid point 199 (69/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.037 5.500 -3.875) 9.040 1.310 ( 6.037 5.500 3.875) 9.040 1.498 ( -9.722 3.886 -6.957) 12.570 1.498 ( -9.722 3.886 6.957) 12.570 1.958 ( 0.217 4.209 -2.631) 4.969 1.958 ( 0.217 4.209 2.631) 4.969 2.448 ( 0.467 -0.864 -2.048) 2.271 2.448 ( 0.467 -0.864 2.048) 2.271 2.513 ( -2.768 -10.092 -2.293) 10.713 2.513 ( -2.768 -10.092 2.293) 10.713 2.776 ( 0.230 -8.331 -2.299) 8.646 2.776 ( 0.230 -8.331 2.299) 8.646 3.038 ( -0.674 4.921 -0.943) 5.056 3.038 ( -0.674 4.921 0.943) 5.056 3.296 ( 0.408 -6.982 -0.653) 7.025 3.296 ( 0.408 -6.982 0.653) 7.025 3.463 ( 4.151 9.190 -4.428) 11.013 3.463 ( 4.151 9.190 4.428) 11.013 4.070 ( 5.318 -1.604 -4.617) 7.223 4.070 ( 5.318 -1.604 4.617) 7.223 4.237 ( -5.971 2.035 -3.467) 7.198 4.237 ( -5.971 2.035 3.467) 7.198 4.396 ( -0.606 0.828 -1.385) 1.724 4.396 ( -0.606 0.828 1.385) 1.724 4.796 ( 3.658 5.109 -5.924) 8.636 4.796 ( 3.658 5.109 5.924) 8.636 4.911 ( -4.988 3.288 -5.942) 8.426 4.911 ( -4.988 3.288 5.942) 8.426 5.372 ( 1.856 -5.742 -1.496) 6.217 5.372 ( 1.856 -5.742 1.496) 6.217 5.715 ( 3.161 -11.352 -3.889) 12.409 5.715 ( 3.161 -11.352 3.889) 12.409 7.063 ( -3.165 13.787 -1.842) 14.265 7.063 ( -3.165 13.787 1.842) 14.265 7.821 ( 0.638 -9.774 -2.296) 10.060 7.821 ( 0.638 -9.774 2.296) 10.060 9.344 ( -0.274 3.712 -0.683) 3.784 9.344 ( -0.274 3.712 0.683) 3.784 9.621 ( 1.159 -4.577 -1.291) 4.895 9.621 ( 1.159 -4.577 1.291) 4.895 10.476 ( -1.578 3.636 -0.239) 3.971 10.476 ( -1.578 3.636 0.239) 3.971 10.732 ( 0.702 -4.010 -0.147) 4.073 10.732 ( 0.702 -4.010 0.147) 4.073 11.103 ( 1.244 -1.339 -0.450) 1.882 11.103 ( 1.244 -1.339 0.450) 1.882 11.175 ( -1.962 -2.961 -1.744) 3.957 11.175 ( -1.962 -2.961 1.744) 3.957 11.437 ( 2.488 3.903 -0.953) 4.726 11.437 ( 2.488 3.903 0.953) 4.726 11.620 ( -2.195 0.667 -1.192) 2.585 11.620 ( -2.195 0.667 1.192) 2.585 13.914 ( -0.096 2.635 -0.694) 2.726 13.914 ( -0.096 2.635 0.694) 2.726 14.085 ( 0.116 -1.851 -1.622) 2.464 14.085 ( 0.116 -1.851 1.622) 2.464 22.662 ( -0.434 2.579 -1.554) 3.042 22.662 ( -0.434 2.579 1.554) 3.042 22.893 ( 0.573 -4.000 -0.768) 4.113 22.893 ( 0.573 -4.000 0.768) 4.113 23.926 ( 1.413 2.362 -0.835) 2.876 23.926 ( 1.413 2.362 0.835) 2.876 24.099 ( -0.903 -1.194 -0.477) 1.571 24.099 ( -0.903 -1.194 0.477) 1.571 25.514 ( 0.294 0.652 -0.280) 0.769 25.514 ( 0.294 0.652 0.280) 0.769 25.875 ( -0.194 -10.323 -2.161) 10.548 25.875 ( -0.194 -10.323 2.161) 10.548 26.104 ( 0.476 8.732 -0.958) 8.797 26.104 ( 0.476 8.732 0.958) 8.797 26.480 ( -0.805 -1.055 -0.188) 1.340 26.480 ( -0.805 -1.055 0.188) 1.340 ======================= Grid point 205 (70/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 4.146 -2.727) 4.962 1.307 ( 0.000 4.146 2.727) 4.962 1.771 ( 0.000 -2.861 -4.802) 5.590 1.771 ( 0.000 -2.861 4.802) 5.590 2.037 ( 0.000 4.063 -2.924) 5.006 2.037 ( 0.000 4.063 2.924) 5.006 2.408 ( 0.000 -2.337 -0.811) 2.473 2.408 ( 0.000 -2.337 0.811) 2.473 2.675 ( 0.000 -2.968 -0.694) 3.048 2.675 ( 0.000 -2.968 0.694) 3.048 2.758 ( 0.000 2.435 -1.607) 2.917 2.758 ( 0.000 2.434 1.607) 2.917 3.054 ( 0.000 5.788 -3.215) 6.621 3.054 ( 0.000 5.788 3.215) 6.621 3.277 ( 0.000 -6.042 -0.182) 6.045 3.277 ( 0.000 -6.042 0.182) 6.045 3.394 ( 0.000 9.071 -10.846) 14.139 3.394 ( 0.000 9.071 10.846) 14.139 3.634 ( 0.000 -10.535 -8.206) 13.354 3.634 ( 0.000 -10.535 8.206) 13.354 4.319 ( 0.000 -0.352 -1.195) 1.246 4.319 ( 0.000 -0.352 1.195) 1.246 4.503 ( 0.000 -1.411 -1.178) 1.838 4.503 ( 0.000 -1.411 1.178) 1.838 4.930 ( 0.000 6.537 -4.991) 8.224 4.930 ( 0.000 6.537 4.991) 8.224 5.092 ( 0.000 1.208 -5.160) 5.299 5.092 ( 0.000 1.208 5.160) 5.299 5.099 ( 0.000 -2.867 -5.125) 5.873 5.099 ( 0.000 -2.867 5.125) 5.873 5.447 ( 0.000 -5.621 -3.925) 6.856 5.447 ( 0.000 -5.621 3.925) 6.856 7.434 ( 0.000 9.036 -4.413) 10.056 7.434 ( 0.000 9.036 4.413) 10.056 7.643 ( 0.000 -6.996 -6.106) 9.286 7.643 ( 0.000 -6.996 6.106) 9.286 9.406 ( 0.000 2.119 -1.586) 2.647 9.406 ( 0.000 2.119 1.586) 2.647 9.508 ( 0.000 -2.399 -2.350) 3.358 9.508 ( 0.000 -2.399 2.350) 3.358 10.577 ( 0.000 -0.092 -0.292) 0.306 10.577 ( 0.000 -0.092 0.292) 0.306 10.645 ( 0.000 -0.645 -0.527) 0.833 10.645 ( 0.000 -0.645 0.527) 0.833 11.059 ( 0.000 -0.201 -0.592) 0.625 11.059 ( 0.000 -0.201 0.592) 0.625 11.202 ( 0.000 -1.391 -1.719) 2.211 11.202 ( 0.000 -1.391 1.719) 2.211 11.385 ( 0.000 1.068 -0.445) 1.157 11.385 ( 0.000 1.068 0.445) 1.157 11.719 ( 0.000 0.717 -0.987) 1.220 11.719 ( 0.000 0.717 0.987) 1.220 13.920 ( 0.000 -0.042 -0.066) 0.078 13.920 ( 0.000 -0.042 0.066) 0.078 14.084 ( 0.000 0.178 -1.876) 1.884 14.084 ( 0.000 0.178 1.876) 1.884 22.704 ( 0.000 0.768 -2.335) 2.458 22.704 ( 0.000 0.768 2.335) 2.458 22.809 ( 0.000 -1.796 -0.818) 1.973 22.809 ( 0.000 -1.796 0.818) 1.973 23.896 ( 0.000 1.021 -0.808) 1.302 23.896 ( 0.000 1.021 0.808) 1.302 24.123 ( 0.000 -0.368 -0.051) 0.371 24.123 ( 0.000 -0.368 0.051) 0.371 25.563 ( 0.000 3.578 -1.664) 3.945 25.563 ( 0.000 3.578 1.664) 3.945 25.744 ( 0.000 -5.980 -3.501) 6.930 25.744 ( 0.000 -5.980 3.501) 6.930 26.152 ( 0.000 2.469 -0.281) 2.485 26.152 ( 0.000 2.469 0.281) 2.485 26.504 ( 0.000 -0.709 -0.263) 0.756 26.504 ( 0.000 -0.709 0.263) 0.756 ======================= Grid point 207 (71/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.157 3.426 -2.450) 4.368 1.315 ( 1.157 3.426 2.450) 4.368 1.703 ( -6.378 -1.328 -4.395) 7.859 1.703 ( -6.378 -1.328 4.395) 7.859 2.065 ( 2.343 4.375 -6.041) 7.818 2.065 ( 2.343 4.375 6.041) 7.818 2.391 ( -1.575 -2.698 -0.768) 3.217 2.391 ( -1.575 -2.698 0.768) 3.217 2.571 ( -7.508 0.357 -4.161) 8.591 2.571 ( -7.508 0.357 4.161) 8.591 2.686 ( -4.767 -2.749 -1.874) 5.814 2.686 ( -4.768 -2.749 1.874) 5.814 3.090 ( 1.127 2.714 -2.085) 3.603 3.090 ( 1.127 2.714 2.085) 3.603 3.183 ( -3.010 -5.852 -1.468) 6.743 3.183 ( -3.010 -5.852 1.468) 6.743 3.542 ( 9.525 12.912 -8.089) 17.968 3.542 ( 9.525 12.912 8.089) 17.969 3.786 ( 11.015 -10.312 -6.593) 16.466 3.786 ( 11.015 -10.312 6.593) 16.466 4.316 ( -0.170 -1.097 -2.321) 2.573 4.316 ( -0.170 -1.097 2.321) 2.573 4.422 ( -6.720 -0.934 -0.629) 6.814 4.422 ( -6.720 -0.934 0.629) 6.814 4.920 ( -1.673 5.363 -3.352) 6.542 4.920 ( -1.673 5.363 3.352) 6.542 5.044 ( 0.744 1.832 -5.406) 5.757 5.044 ( 0.744 1.832 5.406) 5.757 5.229 ( 5.553 0.344 -4.260) 7.008 5.229 ( 5.553 0.344 4.260) 7.008 5.441 ( 0.407 -8.419 -6.365) 10.562 5.441 ( 0.407 -8.419 6.365) 10.562 7.398 ( -3.001 11.189 -4.094) 12.286 7.398 ( -3.001 11.189 4.094) 12.286 7.628 ( -1.276 -9.376 -5.082) 10.741 7.628 ( -1.276 -9.376 5.082) 10.741 9.413 ( 0.631 2.991 -1.573) 3.438 9.413 ( 0.631 2.991 1.573) 3.438 9.514 ( 0.532 -3.314 -2.142) 3.982 9.514 ( 0.532 -3.314 2.142) 3.982 10.570 ( -0.650 1.956 -0.129) 2.066 10.570 ( -0.650 1.956 0.129) 2.066 10.646 ( 0.070 -2.468 -0.255) 2.482 10.646 ( 0.070 -2.468 0.255) 2.482 11.065 ( 0.618 -0.284 -0.478) 0.832 11.065 ( 0.618 -0.284 0.478) 0.832 11.179 ( -2.012 -1.318 -1.438) 2.802 11.179 ( -2.012 -1.318 1.438) 2.802 11.417 ( 2.989 1.198 -0.547) 3.266 11.417 ( 2.989 1.198 0.547) 3.266 11.693 ( -2.461 0.562 -0.854) 2.665 11.693 ( -2.461 0.562 0.854) 2.665 13.934 ( 1.308 0.499 -0.865) 1.645 13.934 ( 1.308 0.499 0.865) 1.645 14.072 ( -1.083 -0.289 -1.830) 2.146 14.072 ( -1.083 -0.289 1.830) 2.146 22.711 ( 0.604 1.697 -2.328) 2.943 22.711 ( 0.604 1.697 2.328) 2.943 22.810 ( 0.024 -2.581 -1.391) 2.932 22.810 ( 0.024 -2.581 1.391) 2.932 23.921 ( 2.233 1.195 -0.776) 2.648 23.921 ( 2.233 1.195 0.776) 2.648 24.108 ( -1.444 -0.552 -0.341) 1.583 24.108 ( -1.444 -0.552 0.341) 1.583 25.560 ( -0.172 3.555 -1.433) 3.837 25.560 ( -0.172 3.555 1.433) 3.837 25.725 ( -1.643 -6.567 -2.922) 7.373 25.725 ( -1.643 -6.567 2.922) 7.373 26.189 ( 3.187 3.469 -0.370) 4.725 26.189 ( 3.187 3.469 0.370) 4.725 26.482 ( -2.072 -1.222 -0.185) 2.412 26.482 ( -2.072 -1.222 0.185) 2.412 ======================= Grid point 209 (72/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 5.186 1.782 -2.167) 5.896 1.377 ( 5.186 1.782 2.167) 5.896 1.532 ( -8.783 0.132 -3.048) 9.298 1.532 ( -8.783 0.132 3.048) 9.298 2.118 ( 2.228 8.803 -3.191) 9.625 2.118 ( 2.228 8.803 3.191) 9.625 2.330 ( -3.637 -6.080 -1.191) 7.184 2.330 ( -3.637 -6.080 1.191) 7.184 2.471 ( -1.297 1.850 -3.768) 4.393 2.471 ( -1.297 1.850 3.768) 4.393 2.602 ( -2.571 -8.259 -2.539) 9.014 2.602 ( -2.571 -8.259 2.539) 9.014 3.089 ( -0.291 2.452 -0.784) 2.591 3.089 ( -0.291 2.452 0.784) 2.591 3.170 ( 0.320 -5.671 -0.678) 5.720 3.170 ( 0.320 -5.671 0.678) 5.720 3.722 ( 6.073 14.781 -3.932) 16.457 3.722 ( 6.073 14.781 3.932) 16.457 3.983 ( 6.035 -8.476 -4.007) 11.150 3.983 ( 6.035 -8.476 4.007) 11.150 4.267 ( -5.332 1.295 -1.588) 5.712 4.267 ( -5.332 1.295 1.588) 5.712 4.318 ( -0.742 -4.979 -1.806) 5.348 4.318 ( -0.743 -4.979 1.806) 5.348 4.910 ( 1.099 6.779 -1.757) 7.088 4.910 ( 1.099 6.778 1.757) 7.088 5.029 ( -2.394 2.246 -1.515) 3.616 5.029 ( -2.394 2.246 1.515) 3.616 5.306 ( 2.068 2.618 -3.247) 4.655 5.306 ( 2.068 2.618 3.247) 4.655 5.483 ( 2.212 -11.967 -4.247) 12.889 5.483 ( 2.212 -11.967 4.247) 12.889 7.338 ( -1.977 13.981 -1.860) 14.242 7.338 ( -1.977 13.981 1.860) 14.242 7.601 ( -0.918 -12.531 -2.037) 12.728 7.601 ( -0.918 -12.531 2.037) 12.728 9.426 ( 0.385 4.540 -0.755) 4.618 9.426 ( 0.385 4.540 0.755) 4.618 9.525 ( 0.362 -4.974 -0.957) 5.078 9.525 ( 0.362 -4.974 0.957) 5.078 10.556 ( -0.470 4.392 -0.083) 4.418 10.556 ( -0.470 4.392 0.083) 4.418 10.647 ( 0.016 -4.522 -0.037) 4.522 10.647 ( 0.016 -4.522 0.037) 4.522 11.086 ( 1.384 -0.342 -0.097) 1.429 11.086 ( 1.384 -0.342 0.097) 1.429 11.131 ( -2.192 -1.308 -0.695) 2.645 11.131 ( -2.192 -1.308 0.695) 2.645 11.500 ( 4.437 2.135 -0.526) 4.952 11.500 ( 4.437 2.135 0.526) 4.952 11.620 ( -4.085 -0.379 -0.585) 4.144 11.620 ( -4.085 -0.379 0.585) 4.144 13.967 ( 1.398 2.371 -0.964) 2.916 13.967 ( 1.398 2.371 0.964) 2.916 14.045 ( -1.261 -2.042 -1.244) 2.703 14.045 ( -1.261 -2.042 1.244) 2.703 22.723 ( 0.392 3.564 -1.190) 3.778 22.723 ( 0.392 3.564 1.190) 3.778 22.810 ( -0.004 -4.222 -0.894) 4.315 22.810 ( -0.004 -4.222 0.894) 4.315 23.976 ( 2.556 2.306 -0.592) 3.493 23.976 ( 2.556 2.306 0.592) 3.493 24.068 ( -2.066 -1.672 -0.467) 2.699 24.068 ( -2.066 -1.672 0.467) 2.699 25.560 ( 0.149 4.034 -0.690) 4.096 25.560 ( 0.149 4.034 0.690) 4.096 25.690 ( -1.229 -7.896 -1.263) 8.091 25.690 ( -1.229 -7.896 1.263) 8.091 26.264 ( 3.081 6.603 -0.226) 7.290 26.264 ( 3.081 6.603 0.226) 7.290 26.428 ( -2.438 -3.706 -0.060) 4.436 26.428 ( -2.438 -3.706 0.060) 4.436 =================== 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 3/25200 10.0 78.887 103.681 90.700 0.000 0.000 -0.000 3/25200 20.0 19.910 25.403 21.710 0.000 0.000 -0.000 3/25200 30.0 10.613 12.945 11.041 0.000 0.000 -0.000 3/25200 40.0 7.040 8.490 7.184 0.000 0.000 -0.000 3/25200 50.0 5.261 6.307 5.286 0.000 0.000 -0.000 3/25200 60.0 4.217 5.032 4.182 0.000 0.000 -0.000 3/25200 70.0 3.532 4.197 3.465 0.000 0.000 -0.000 3/25200 80.0 3.044 3.605 2.963 0.000 0.000 -0.000 3/25200 90.0 2.678 3.163 2.592 0.000 0.000 -0.000 3/25200 100.0 2.393 2.819 2.306 0.000 0.000 -0.000 3/25200 110.0 2.164 2.545 2.078 0.000 0.000 -0.000 3/25200 120.0 1.977 2.321 1.893 0.000 0.000 -0.000 3/25200 130.0 1.820 2.134 1.739 0.000 0.000 -0.000 3/25200 140.0 1.687 1.977 1.610 0.000 0.000 -0.000 3/25200 150.0 1.574 1.842 1.500 0.000 0.000 -0.000 3/25200 160.0 1.475 1.726 1.404 0.000 0.000 -0.000 3/25200 170.0 1.389 1.625 1.321 0.000 0.000 -0.000 3/25200 180.0 1.313 1.536 1.248 0.000 0.000 -0.000 3/25200 190.0 1.246 1.457 1.184 0.000 0.000 -0.000 3/25200 200.0 1.185 1.387 1.126 0.000 0.000 -0.000 3/25200 210.0 1.131 1.324 1.075 0.000 0.000 -0.000 3/25200 220.0 1.082 1.267 1.028 0.000 0.000 -0.000 3/25200 230.0 1.038 1.216 0.986 0.000 0.000 -0.000 3/25200 240.0 0.997 1.169 0.948 0.000 0.000 -0.000 3/25200 250.0 0.960 1.126 0.913 0.000 0.000 -0.000 3/25200 260.0 0.925 1.087 0.880 0.000 0.000 -0.000 3/25200 270.0 0.894 1.051 0.850 0.000 0.000 -0.000 3/25200 280.0 0.864 1.017 0.823 0.000 0.000 -0.000 3/25200 290.0 0.837 0.986 0.797 0.000 0.000 -0.000 3/25200 300.0 0.811 0.957 0.773 0.000 0.000 -0.000 3/25200 310.0 0.787 0.930 0.751 0.000 0.000 -0.000 3/25200 320.0 0.765 0.904 0.730 0.000 0.000 -0.000 3/25200 330.0 0.744 0.880 0.710 0.000 0.000 -0.000 3/25200 340.0 0.724 0.858 0.691 0.000 0.000 -0.000 3/25200 350.0 0.705 0.836 0.674 0.000 0.000 -0.000 3/25200 360.0 0.687 0.816 0.657 0.000 0.000 -0.000 3/25200 370.0 0.670 0.797 0.641 0.000 0.000 -0.000 3/25200 380.0 0.654 0.779 0.626 0.000 0.000 -0.000 3/25200 390.0 0.639 0.761 0.612 0.000 0.000 -0.000 3/25200 400.0 0.624 0.745 0.598 0.000 0.000 -0.000 3/25200 410.0 0.611 0.729 0.585 0.000 0.000 -0.000 3/25200 420.0 0.597 0.714 0.573 0.000 0.000 -0.000 3/25200 430.0 0.585 0.699 0.561 0.000 0.000 -0.000 3/25200 440.0 0.573 0.686 0.550 0.000 0.000 -0.000 3/25200 450.0 0.561 0.672 0.539 0.000 0.000 -0.000 3/25200 460.0 0.550 0.659 0.528 0.000 0.000 -0.000 3/25200 470.0 0.539 0.647 0.518 0.000 0.000 -0.000 3/25200 480.0 0.529 0.635 0.508 0.000 0.000 -0.000 3/25200 490.0 0.519 0.624 0.499 0.000 0.000 -0.000 3/25200 500.0 0.509 0.613 0.490 0.000 0.000 -0.000 3/25200 510.0 0.500 0.602 0.481 0.000 0.000 -0.000 3/25200 520.0 0.491 0.592 0.473 0.000 0.000 -0.000 3/25200 530.0 0.483 0.582 0.465 0.000 0.000 -0.000 3/25200 540.0 0.474 0.573 0.457 0.000 0.000 -0.000 3/25200 550.0 0.466 0.563 0.450 0.000 0.000 -0.000 3/25200 560.0 0.459 0.555 0.442 0.000 0.000 -0.000 3/25200 570.0 0.451 0.546 0.435 0.000 0.000 -0.000 3/25200 580.0 0.444 0.537 0.428 0.000 0.000 -0.000 3/25200 590.0 0.437 0.529 0.422 0.000 0.000 -0.000 3/25200 600.0 0.430 0.521 0.415 0.000 0.000 -0.000 3/25200 610.0 0.424 0.514 0.409 0.000 0.000 -0.000 3/25200 620.0 0.417 0.506 0.403 0.000 0.000 -0.000 3/25200 630.0 0.411 0.499 0.397 0.000 0.000 -0.000 3/25200 640.0 0.405 0.492 0.391 0.000 0.000 -0.000 3/25200 650.0 0.399 0.485 0.386 0.000 0.000 -0.000 3/25200 660.0 0.394 0.478 0.380 0.000 0.000 -0.000 3/25200 670.0 0.388 0.472 0.375 0.000 0.000 -0.000 3/25200 680.0 0.383 0.466 0.370 0.000 0.000 -0.000 3/25200 690.0 0.377 0.460 0.365 0.000 0.000 -0.000 3/25200 700.0 0.372 0.454 0.360 0.000 0.000 -0.000 3/25200 710.0 0.367 0.448 0.356 0.000 0.000 -0.000 3/25200 720.0 0.363 0.442 0.351 0.000 0.000 -0.000 3/25200 730.0 0.358 0.437 0.347 0.000 0.000 -0.000 3/25200 740.0 0.353 0.431 0.342 0.000 0.000 -0.000 3/25200 750.0 0.349 0.426 0.338 0.000 0.000 -0.000 3/25200 760.0 0.345 0.421 0.334 0.000 0.000 -0.000 3/25200 770.0 0.340 0.416 0.330 0.000 0.000 -0.000 3/25200 780.0 0.336 0.411 0.326 0.000 0.000 -0.000 3/25200 790.0 0.332 0.406 0.322 0.000 0.000 -0.000 3/25200 800.0 0.328 0.401 0.318 0.000 0.000 -0.000 3/25200 810.0 0.324 0.397 0.314 0.000 0.000 -0.000 3/25200 820.0 0.321 0.392 0.311 0.000 0.000 -0.000 3/25200 830.0 0.317 0.388 0.307 0.000 0.000 -0.000 3/25200 840.0 0.313 0.383 0.304 0.000 0.000 -0.000 3/25200 850.0 0.310 0.379 0.300 0.000 0.000 -0.000 3/25200 860.0 0.306 0.375 0.297 0.000 0.000 -0.000 3/25200 870.0 0.303 0.371 0.294 0.000 0.000 -0.000 3/25200 880.0 0.300 0.367 0.291 0.000 0.000 -0.000 3/25200 890.0 0.296 0.363 0.288 0.000 0.000 -0.000 3/25200 900.0 0.293 0.360 0.285 0.000 0.000 -0.000 3/25200 910.0 0.290 0.356 0.282 0.000 0.000 -0.000 3/25200 920.0 0.287 0.352 0.279 0.000 0.000 -0.000 3/25200 930.0 0.284 0.349 0.276 0.000 0.000 -0.000 3/25200 940.0 0.281 0.345 0.273 0.000 0.000 -0.000 3/25200 950.0 0.278 0.342 0.270 0.000 0.000 -0.000 3/25200 960.0 0.276 0.338 0.268 0.000 0.000 -0.000 3/25200 970.0 0.273 0.335 0.265 0.000 0.000 -0.000 3/25200 980.0 0.270 0.332 0.262 0.000 0.000 -0.000 3/25200 990.0 0.268 0.329 0.260 0.000 0.000 -0.000 3/25200 1000.0 0.265 0.326 0.257 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:40:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|