----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:05:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.879466719902499 0.000000000000000 0.000000000000000 b -2.939733359951250 5.091767540140730 0.000000000000000 c 0.000000000000000 0.000000000000000 6.717047640000000 Atomic positions (fractional): *1 O 0.12507636201372 0.70315243310321 0.95850099428703 15.999 2 O 0.57807607108949 0.87492363798628 0.62516766095370 15.999 3 O 0.29684756689679 0.42192392891051 0.29183432762036 15.999 4 O 0.70315243310321 0.12507636201372 0.04149900571297 15.999 5 O 0.42192392891051 0.29684756689679 0.70816567237964 15.999 6 O 0.87492363798628 0.57807607108949 0.37483233904630 15.999 *7 Zn 0.41614558835778 0.00000000000000 0.83333333333333 65.380 8 Zn 0.00000000000000 0.41614558835778 0.16666666666667 65.380 9 Zn 0.58385441164222 0.58385441164222 0.50000000000000 65.380 *10 Ba 0.65328140534369 0.65328140534369 0.00000000000000 137.327 11 Ba 0.00000000000000 0.34671859465631 0.66666666666667 137.327 12 Ba 0.34671859465631 0.00000000000000 0.33333333333333 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.879466719902499 0.000000000000000 0.000000000000000 b -2.939733359951250 5.091767540140730 0.000000000000000 c 0.000000000000000 0.000000000000000 6.717047640000000 Atomic positions (fractional): *1 O 0.12507636201372 0.70315243310321 0.95850099428703 15.999 > 1 2 O 0.57807607108949 0.87492363798628 0.62516766095370 15.999 > 2 3 O 0.29684756689679 0.42192392891051 0.29183432762036 15.999 > 3 4 O 0.70315243310321 0.12507636201372 0.04149900571297 15.999 > 4 5 O 0.42192392891051 0.29684756689679 0.70816567237964 15.999 > 5 6 O 0.87492363798628 0.57807607108949 0.37483233904630 15.999 > 6 *7 Zn 0.41614558835778 0.00000000000000 0.83333333333333 65.380 > 7 8 Zn 0.00000000000000 0.41614558835778 0.16666666666667 65.380 > 8 9 Zn 0.58385441164222 0.58385441164222 0.50000000000000 65.380 > 9 *10 Ba 0.65328140534369 0.65328140534369 0.00000000000000 137.327 > 10 11 Ba 0.00000000000000 0.34671859465631 0.66666666666667 137.327 > 11 12 Ba 0.34671859465631 0.00000000000000 0.33333333333333 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.758933439804998 0.000000000000000 0.000000000000000 b -5.879466719902500 10.183535080281461 0.000000000000000 c 0.000000000000000 0.000000000000000 13.434095279999999 Atomic positions (fractional): *1 O 0.06253818100686 0.35157621655160 0.47925049714351 15.999 > 1 2 O 0.56253818100686 0.35157621655160 0.47925049714351 15.999 > 1 3 O 0.06253818100686 0.85157621655160 0.47925049714351 15.999 > 1 4 O 0.56253818100686 0.85157621655160 0.47925049714351 15.999 > 1 5 O 0.06253818100686 0.35157621655160 0.97925049714351 15.999 > 1 6 O 0.56253818100686 0.35157621655160 0.97925049714351 15.999 > 1 7 O 0.06253818100686 0.85157621655160 0.97925049714351 15.999 > 1 8 O 0.56253818100686 0.85157621655160 0.97925049714351 15.999 > 1 9 O 0.28903803554474 0.43746181899314 0.31258383047685 15.999 > 2 10 O 0.78903803554474 0.43746181899314 0.31258383047685 15.999 > 2 11 O 0.28903803554474 0.93746181899314 0.31258383047685 15.999 > 2 12 O 0.78903803554474 0.93746181899314 0.31258383047685 15.999 > 2 13 O 0.28903803554474 0.43746181899314 0.81258383047685 15.999 > 2 14 O 0.78903803554474 0.43746181899314 0.81258383047685 15.999 > 2 15 O 0.28903803554474 0.93746181899314 0.81258383047685 15.999 > 2 16 O 0.78903803554474 0.93746181899314 0.81258383047685 15.999 > 2 17 O 0.14842378344840 0.21096196445526 0.14591716381018 15.999 > 3 18 O 0.64842378344840 0.21096196445526 0.14591716381018 15.999 > 3 19 O 0.14842378344840 0.71096196445526 0.14591716381018 15.999 > 3 20 O 0.64842378344840 0.71096196445526 0.14591716381018 15.999 > 3 21 O 0.14842378344840 0.21096196445526 0.64591716381018 15.999 > 3 22 O 0.64842378344840 0.21096196445526 0.64591716381018 15.999 > 3 23 O 0.14842378344840 0.71096196445526 0.64591716381018 15.999 > 3 24 O 0.64842378344840 0.71096196445526 0.64591716381018 15.999 > 3 25 O 0.35157621655160 0.06253818100686 0.02074950285649 15.999 > 4 26 O 0.85157621655160 0.06253818100686 0.02074950285649 15.999 > 4 27 O 0.35157621655160 0.56253818100686 0.02074950285649 15.999 > 4 28 O 0.85157621655160 0.56253818100686 0.02074950285649 15.999 > 4 29 O 0.35157621655160 0.06253818100686 0.52074950285649 15.999 > 4 30 O 0.85157621655160 0.06253818100686 0.52074950285649 15.999 > 4 31 O 0.35157621655160 0.56253818100686 0.52074950285649 15.999 > 4 32 O 0.85157621655160 0.56253818100686 0.52074950285649 15.999 > 4 33 O 0.21096196445526 0.14842378344840 0.35408283618982 15.999 > 5 34 O 0.71096196445526 0.14842378344840 0.35408283618982 15.999 > 5 35 O 0.21096196445526 0.64842378344840 0.35408283618982 15.999 > 5 36 O 0.71096196445526 0.64842378344840 0.35408283618982 15.999 > 5 37 O 0.21096196445526 0.14842378344840 0.85408283618982 15.999 > 5 38 O 0.71096196445526 0.14842378344840 0.85408283618982 15.999 > 5 39 O 0.21096196445526 0.64842378344840 0.85408283618982 15.999 > 5 40 O 0.71096196445526 0.64842378344840 0.85408283618982 15.999 > 5 41 O 0.43746181899314 0.28903803554474 0.18741616952315 15.999 > 6 42 O 0.93746181899314 0.28903803554474 0.18741616952315 15.999 > 6 43 O 0.43746181899314 0.78903803554474 0.18741616952315 15.999 > 6 44 O 0.93746181899314 0.78903803554474 0.18741616952315 15.999 > 6 45 O 0.43746181899314 0.28903803554474 0.68741616952315 15.999 > 6 46 O 0.93746181899314 0.28903803554474 0.68741616952315 15.999 > 6 47 O 0.43746181899314 0.78903803554474 0.68741616952315 15.999 > 6 48 O 0.93746181899314 0.78903803554474 0.68741616952315 15.999 > 6 *49 Zn 0.20807279417889 0.00000000000000 0.41666666666667 65.380 > 7 50 Zn 0.70807279417889 0.00000000000000 0.41666666666667 65.380 > 7 51 Zn 0.20807279417889 0.50000000000000 0.41666666666667 65.380 > 7 52 Zn 0.70807279417889 0.50000000000000 0.41666666666667 65.380 > 7 53 Zn 0.20807279417889 0.00000000000000 0.91666666666667 65.380 > 7 54 Zn 0.70807279417889 0.00000000000000 0.91666666666667 65.380 > 7 55 Zn 0.20807279417889 0.50000000000000 0.91666666666667 65.380 > 7 56 Zn 0.70807279417889 0.50000000000000 0.91666666666667 65.380 > 7 57 Zn 0.00000000000000 0.20807279417889 0.08333333333333 65.380 > 8 58 Zn 0.50000000000000 0.20807279417889 0.08333333333333 65.380 > 8 59 Zn 0.00000000000000 0.70807279417889 0.08333333333333 65.380 > 8 60 Zn 0.50000000000000 0.70807279417889 0.08333333333333 65.380 > 8 61 Zn 0.00000000000000 0.20807279417889 0.58333333333333 65.380 > 8 62 Zn 0.50000000000000 0.20807279417889 0.58333333333333 65.380 > 8 63 Zn 0.00000000000000 0.70807279417889 0.58333333333333 65.380 > 8 64 Zn 0.50000000000000 0.70807279417889 0.58333333333333 65.380 > 8 65 Zn 0.29192720582111 0.29192720582111 0.25000000000000 65.380 > 9 66 Zn 0.79192720582111 0.29192720582111 0.25000000000000 65.380 > 9 67 Zn 0.29192720582111 0.79192720582111 0.25000000000000 65.380 > 9 68 Zn 0.79192720582111 0.79192720582111 0.25000000000000 65.380 > 9 69 Zn 0.29192720582111 0.29192720582111 0.75000000000000 65.380 > 9 70 Zn 0.79192720582111 0.29192720582111 0.75000000000000 65.380 > 9 71 Zn 0.29192720582111 0.79192720582111 0.75000000000000 65.380 > 9 72 Zn 0.79192720582111 0.79192720582111 0.75000000000000 65.380 > 9 *73 Ba 0.32664070267185 0.32664070267185 0.00000000000000 137.327 > 10 74 Ba 0.82664070267185 0.32664070267185 0.00000000000000 137.327 > 10 75 Ba 0.32664070267185 0.82664070267185 0.00000000000000 137.327 > 10 76 Ba 0.82664070267185 0.82664070267185 0.00000000000000 137.327 > 10 77 Ba 0.32664070267185 0.32664070267185 0.50000000000000 137.327 > 10 78 Ba 0.82664070267185 0.32664070267185 0.50000000000000 137.327 > 10 79 Ba 0.32664070267185 0.82664070267185 0.50000000000000 137.327 > 10 80 Ba 0.82664070267185 0.82664070267185 0.50000000000000 137.327 > 10 81 Ba 0.00000000000000 0.17335929732815 0.33333333333333 137.327 > 11 82 Ba 0.50000000000000 0.17335929732815 0.33333333333333 137.327 > 11 83 Ba 0.00000000000000 0.67335929732815 0.33333333333333 137.327 > 11 84 Ba 0.50000000000000 0.67335929732815 0.33333333333333 137.327 > 11 85 Ba 0.00000000000000 0.17335929732815 0.83333333333333 137.327 > 11 86 Ba 0.50000000000000 0.17335929732815 0.83333333333333 137.327 > 11 87 Ba 0.00000000000000 0.67335929732815 0.83333333333333 137.327 > 11 88 Ba 0.50000000000000 0.67335929732815 0.83333333333333 137.327 > 11 89 Ba 0.17335929732815 0.00000000000000 0.16666666666667 137.327 > 12 90 Ba 0.67335929732815 0.00000000000000 0.16666666666667 137.327 > 12 91 Ba 0.17335929732815 0.50000000000000 0.16666666666667 137.327 > 12 92 Ba 0.67335929732815 0.50000000000000 0.16666666666667 137.327 > 12 93 Ba 0.17335929732815 0.00000000000000 0.66666666666667 137.327 > 12 94 Ba 0.67335929732815 0.00000000000000 0.66666666666667 137.327 > 12 95 Ba 0.17335929732815 0.50000000000000 0.66666666666667 137.327 > 12 96 Ba 0.67335929732815 0.50000000000000 0.66666666666667 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2671094 0.0000000 0.0000000 0.0000000 4.2671094 0.0000000 0.0000000 0.0000000 4.3148763 -------------------------- Born effective charges -------------------------- 1 O -2.2048860 -0.4810604 0.2548090 -0.3212667 -2.3613026 0.1753329 0.1551951 0.2156928 -2.2700272 2 O -1.9747807 0.1884153 0.0244383 0.3482090 -2.5914080 -0.3083375 0.1091979 -0.2422493 -2.2700272 3 O -2.6696163 0.0529545 -0.2792473 0.2127482 -1.8965723 0.1330046 -0.2643930 0.0265565 -2.2700272 4 O -1.9747807 -0.1884153 -0.0244383 -0.3482090 -2.5914080 -0.3083375 -0.1091979 -0.2422493 -2.2700272 5 O -2.2048860 0.4810604 -0.2548090 0.3212667 -2.3613026 0.1753329 -0.1551951 0.2156928 -2.2700272 6 O -2.6696163 -0.0529545 0.2792473 -0.2127482 -1.8965723 0.1330046 0.2643930 0.0265565 -2.2700272 7 Zn 1.7413673 0.0000000 -0.0000000 -0.0000000 2.1198646 -0.0860070 -0.0000000 -0.2674982 1.9259268 8 Zn 2.0252402 0.1638941 0.0744842 0.1638941 1.8359916 0.0430035 0.2316603 0.1337491 1.9259268 9 Zn 2.0252402 -0.1638941 -0.0744842 -0.1638941 1.8359916 0.0430035 -0.2316603 0.1337491 1.9259268 10 Ba 2.7873973 -0.2629679 -0.0412227 -0.2629679 2.4837481 0.0238000 -0.0254797 0.0147107 2.6141275 11 Ba 2.7873973 0.2629679 0.0412227 0.2629679 2.4837481 0.0238000 0.0254797 0.0147107 2.6141275 12 Ba 2.3319235 0.0000000 -0.0000000 -0.0000000 2.9392219 -0.0475999 -0.0000000 -0.0294215 2.6141275 ---------------------------------------------------------------------------- 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: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 926 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (926, 907), data: False |-- (118, 115), data: True |-- (384, 376), data: True |-- (424, 416), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 240 - Time: 0.840 Solver_block: 200 / 240 - Time: 0.816 Solver_block: 240 / 240 - Time: 0.380 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.063 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 926 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (926, 907), data: False |-- (118, 115), data: True |-- (384, 376), data: True |-- (424, 416), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:05:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:05:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.879466719902499 0.000000000000000 0.000000000000000 b -2.939733359951250 5.091767540140730 0.000000000000000 c 0.000000000000000 0.000000000000000 6.717047640000000 Atomic positions (fractional): 1 O 0.12507636201372 0.70315243310321 0.95850099428703 15.999 2 O 0.57807607108949 0.87492363798628 0.62516766095370 15.999 3 O 0.29684756689679 0.42192392891051 0.29183432762036 15.999 4 O 0.70315243310321 0.12507636201372 0.04149900571297 15.999 5 O 0.42192392891051 0.29684756689679 0.70816567237964 15.999 6 O 0.87492363798628 0.57807607108949 0.37483233904630 15.999 7 Zn 0.41614558835778 0.00000000000000 0.83333333333333 65.380 8 Zn 0.00000000000000 0.41614558835778 0.16666666666667 65.380 9 Zn 0.58385441164222 0.58385441164222 0.50000000000000 65.380 10 Ba 0.65328140534369 0.65328140534369 0.00000000000000 137.327 11 Ba 0.00000000000000 0.34671859465631 0.66666666666667 137.327 12 Ba 0.34671859465631 0.00000000000000 0.33333333333333 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.758933439804998 0.000000000000000 0.000000000000000 b -5.879466719902500 10.183535080281461 0.000000000000000 c 0.000000000000000 0.000000000000000 13.434095279999999 Atomic positions (fractional): 1 O 0.06253818100686 0.35157621655160 0.47925049714351 15.999 > 1 2 O 0.56253818100686 0.35157621655160 0.47925049714351 15.999 > 1 3 O 0.06253818100686 0.85157621655160 0.47925049714351 15.999 > 1 4 O 0.56253818100686 0.85157621655160 0.47925049714351 15.999 > 1 5 O 0.06253818100686 0.35157621655160 0.97925049714351 15.999 > 1 6 O 0.56253818100686 0.35157621655160 0.97925049714351 15.999 > 1 7 O 0.06253818100686 0.85157621655160 0.97925049714351 15.999 > 1 8 O 0.56253818100686 0.85157621655160 0.97925049714351 15.999 > 1 9 O 0.28903803554474 0.43746181899314 0.31258383047685 15.999 > 9 10 O 0.78903803554474 0.43746181899314 0.31258383047685 15.999 > 9 11 O 0.28903803554474 0.93746181899314 0.31258383047685 15.999 > 9 12 O 0.78903803554474 0.93746181899314 0.31258383047685 15.999 > 9 13 O 0.28903803554474 0.43746181899314 0.81258383047685 15.999 > 9 14 O 0.78903803554474 0.43746181899314 0.81258383047685 15.999 > 9 15 O 0.28903803554474 0.93746181899314 0.81258383047685 15.999 > 9 16 O 0.78903803554474 0.93746181899314 0.81258383047685 15.999 > 9 17 O 0.14842378344840 0.21096196445526 0.14591716381018 15.999 > 17 18 O 0.64842378344840 0.21096196445526 0.14591716381018 15.999 > 17 19 O 0.14842378344840 0.71096196445526 0.14591716381018 15.999 > 17 20 O 0.64842378344840 0.71096196445526 0.14591716381018 15.999 > 17 21 O 0.14842378344840 0.21096196445526 0.64591716381018 15.999 > 17 22 O 0.64842378344840 0.21096196445526 0.64591716381018 15.999 > 17 23 O 0.14842378344840 0.71096196445526 0.64591716381018 15.999 > 17 24 O 0.64842378344840 0.71096196445526 0.64591716381018 15.999 > 17 25 O 0.35157621655160 0.06253818100686 0.02074950285649 15.999 > 25 26 O 0.85157621655160 0.06253818100686 0.02074950285649 15.999 > 25 27 O 0.35157621655160 0.56253818100686 0.02074950285649 15.999 > 25 28 O 0.85157621655160 0.56253818100686 0.02074950285649 15.999 > 25 29 O 0.35157621655160 0.06253818100686 0.52074950285649 15.999 > 25 30 O 0.85157621655160 0.06253818100686 0.52074950285649 15.999 > 25 31 O 0.35157621655160 0.56253818100686 0.52074950285649 15.999 > 25 32 O 0.85157621655160 0.56253818100686 0.52074950285649 15.999 > 25 33 O 0.21096196445526 0.14842378344840 0.35408283618982 15.999 > 33 34 O 0.71096196445526 0.14842378344840 0.35408283618982 15.999 > 33 35 O 0.21096196445526 0.64842378344840 0.35408283618982 15.999 > 33 36 O 0.71096196445526 0.64842378344840 0.35408283618982 15.999 > 33 37 O 0.21096196445526 0.14842378344840 0.85408283618982 15.999 > 33 38 O 0.71096196445526 0.14842378344840 0.85408283618982 15.999 > 33 39 O 0.21096196445526 0.64842378344840 0.85408283618982 15.999 > 33 40 O 0.71096196445526 0.64842378344840 0.85408283618982 15.999 > 33 41 O 0.43746181899314 0.28903803554474 0.18741616952315 15.999 > 41 42 O 0.93746181899314 0.28903803554474 0.18741616952315 15.999 > 41 43 O 0.43746181899314 0.78903803554474 0.18741616952315 15.999 > 41 44 O 0.93746181899314 0.78903803554474 0.18741616952315 15.999 > 41 45 O 0.43746181899314 0.28903803554474 0.68741616952315 15.999 > 41 46 O 0.93746181899314 0.28903803554474 0.68741616952315 15.999 > 41 47 O 0.43746181899314 0.78903803554474 0.68741616952315 15.999 > 41 48 O 0.93746181899314 0.78903803554474 0.68741616952315 15.999 > 41 49 Zn 0.20807279417889 0.00000000000000 0.41666666666667 65.380 > 49 50 Zn 0.70807279417889 0.00000000000000 0.41666666666667 65.380 > 49 51 Zn 0.20807279417889 0.50000000000000 0.41666666666667 65.380 > 49 52 Zn 0.70807279417889 0.50000000000000 0.41666666666667 65.380 > 49 53 Zn 0.20807279417889 0.00000000000000 0.91666666666667 65.380 > 49 54 Zn 0.70807279417889 0.00000000000000 0.91666666666667 65.380 > 49 55 Zn 0.20807279417889 0.50000000000000 0.91666666666667 65.380 > 49 56 Zn 0.70807279417889 0.50000000000000 0.91666666666667 65.380 > 49 57 Zn 0.00000000000000 0.20807279417889 0.08333333333333 65.380 > 57 58 Zn 0.50000000000000 0.20807279417889 0.08333333333333 65.380 > 57 59 Zn 0.00000000000000 0.70807279417889 0.08333333333333 65.380 > 57 60 Zn 0.50000000000000 0.70807279417889 0.08333333333333 65.380 > 57 61 Zn 0.00000000000000 0.20807279417889 0.58333333333333 65.380 > 57 62 Zn 0.50000000000000 0.20807279417889 0.58333333333333 65.380 > 57 63 Zn 0.00000000000000 0.70807279417889 0.58333333333333 65.380 > 57 64 Zn 0.50000000000000 0.70807279417889 0.58333333333333 65.380 > 57 65 Zn 0.29192720582111 0.29192720582111 0.25000000000000 65.380 > 65 66 Zn 0.79192720582111 0.29192720582111 0.25000000000000 65.380 > 65 67 Zn 0.29192720582111 0.79192720582111 0.25000000000000 65.380 > 65 68 Zn 0.79192720582111 0.79192720582111 0.25000000000000 65.380 > 65 69 Zn 0.29192720582111 0.29192720582111 0.75000000000000 65.380 > 65 70 Zn 0.79192720582111 0.29192720582111 0.75000000000000 65.380 > 65 71 Zn 0.29192720582111 0.79192720582111 0.75000000000000 65.380 > 65 72 Zn 0.79192720582111 0.79192720582111 0.75000000000000 65.380 > 65 73 Ba 0.32664070267185 0.32664070267185 0.00000000000000 137.327 > 73 74 Ba 0.82664070267185 0.32664070267185 0.00000000000000 137.327 > 73 75 Ba 0.32664070267185 0.82664070267185 0.00000000000000 137.327 > 73 76 Ba 0.82664070267185 0.82664070267185 0.00000000000000 137.327 > 73 77 Ba 0.32664070267185 0.32664070267185 0.50000000000000 137.327 > 73 78 Ba 0.82664070267185 0.32664070267185 0.50000000000000 137.327 > 73 79 Ba 0.32664070267185 0.82664070267185 0.50000000000000 137.327 > 73 80 Ba 0.82664070267185 0.82664070267185 0.50000000000000 137.327 > 73 81 Ba 0.00000000000000 0.17335929732815 0.33333333333333 137.327 > 81 82 Ba 0.50000000000000 0.17335929732815 0.33333333333333 137.327 > 81 83 Ba 0.00000000000000 0.67335929732815 0.33333333333333 137.327 > 81 84 Ba 0.50000000000000 0.67335929732815 0.33333333333333 137.327 > 81 85 Ba 0.00000000000000 0.17335929732815 0.83333333333333 137.327 > 81 86 Ba 0.50000000000000 0.17335929732815 0.83333333333333 137.327 > 81 87 Ba 0.00000000000000 0.67335929732815 0.83333333333333 137.327 > 81 88 Ba 0.50000000000000 0.67335929732815 0.83333333333333 137.327 > 81 89 Ba 0.17335929732815 0.00000000000000 0.16666666666667 137.327 > 89 90 Ba 0.67335929732815 0.00000000000000 0.16666666666667 137.327 > 89 91 Ba 0.17335929732815 0.50000000000000 0.16666666666667 137.327 > 89 92 Ba 0.67335929732815 0.50000000000000 0.16666666666667 137.327 > 89 93 Ba 0.17335929732815 0.00000000000000 0.66666666666667 137.327 > 89 94 Ba 0.67335929732815 0.00000000000000 0.66666666666667 137.327 > 89 95 Ba 0.17335929732815 0.50000000000000 0.66666666666667 137.327 > 89 96 Ba 0.67335929732815 0.50000000000000 0.66666666666667 137.327 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2671094 0.0000000 0.0000000 0.0000000 4.2671094 0.0000000 0.0000000 0.0000000 4.3148763 -------------------------- Born effective charges -------------------------- 1 O -2.2048860 -0.4810604 0.2548090 -0.3212667 -2.3613026 0.1753329 0.1551951 0.2156928 -2.2700272 2 O -1.9747807 0.1884153 0.0244383 0.3482090 -2.5914080 -0.3083375 0.1091979 -0.2422493 -2.2700272 3 O -2.6696163 0.0529545 -0.2792473 0.2127482 -1.8965723 0.1330046 -0.2643930 0.0265565 -2.2700272 4 O -1.9747807 -0.1884153 -0.0244383 -0.3482090 -2.5914080 -0.3083375 -0.1091979 -0.2422493 -2.2700272 5 O -2.2048860 0.4810604 -0.2548090 0.3212667 -2.3613026 0.1753329 -0.1551951 0.2156928 -2.2700272 6 O -2.6696163 -0.0529545 0.2792473 -0.2127482 -1.8965723 0.1330046 0.2643930 0.0265565 -2.2700272 7 Zn 1.7413673 0.0000000 -0.0000000 -0.0000000 2.1198646 -0.0860070 -0.0000000 -0.2674982 1.9259268 8 Zn 2.0252402 0.1638941 0.0744842 0.1638941 1.8359916 0.0430035 0.2316603 0.1337491 1.9259268 9 Zn 2.0252402 -0.1638941 -0.0744842 -0.1638941 1.8359916 0.0430035 -0.2316603 0.1337491 1.9259268 10 Ba 2.7873973 -0.2629679 -0.0412227 -0.2629679 2.4837481 0.0238000 -0.0254797 0.0147107 2.6141275 11 Ba 2.7873973 0.2629679 0.0412227 0.2629679 2.4837481 0.0238000 0.0254797 0.0147107 2.6141275 12 Ba 2.3319235 0.0000000 -0.0000000 -0.0000000 2.9392219 -0.0475999 -0.0000000 -0.0294215 2.6141275 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000066 (yxy) -0.00000066 (yxy) -0.00000066 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000057 (zy) -0.00000057 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:05:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:05:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.879466719902499 0.000000000000000 0.000000000000000 b -2.939733359951250 5.091767540140730 0.000000000000000 c 0.000000000000000 0.000000000000000 6.717047640000000 Atomic positions (fractional): 1 O 0.12507636201372 0.70315243310321 0.95850099428703 15.999 2 O 0.57807607108949 0.87492363798628 0.62516766095370 15.999 3 O 0.29684756689679 0.42192392891051 0.29183432762036 15.999 4 O 0.70315243310321 0.12507636201372 0.04149900571297 15.999 5 O 0.42192392891051 0.29684756689679 0.70816567237964 15.999 6 O 0.87492363798628 0.57807607108949 0.37483233904630 15.999 7 Zn 0.41614558835778 0.00000000000000 0.83333333333333 65.380 8 Zn 0.00000000000000 0.41614558835778 0.16666666666667 65.380 9 Zn 0.58385441164222 0.58385441164222 0.50000000000000 65.380 10 Ba 0.65328140534369 0.65328140534369 0.00000000000000 137.327 11 Ba 0.00000000000000 0.34671859465631 0.66666666666667 137.327 12 Ba 0.34671859465631 0.00000000000000 0.33333333333333 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.758933439804998 0.000000000000000 0.000000000000000 b -5.879466719902500 10.183535080281461 0.000000000000000 c 0.000000000000000 0.000000000000000 13.434095279999999 Atomic positions (fractional): 1 O 0.06253818100686 0.35157621655160 0.47925049714351 15.999 > 1 2 O 0.56253818100686 0.35157621655160 0.47925049714351 15.999 > 1 3 O 0.06253818100686 0.85157621655160 0.47925049714351 15.999 > 1 4 O 0.56253818100686 0.85157621655160 0.47925049714351 15.999 > 1 5 O 0.06253818100686 0.35157621655160 0.97925049714351 15.999 > 1 6 O 0.56253818100686 0.35157621655160 0.97925049714351 15.999 > 1 7 O 0.06253818100686 0.85157621655160 0.97925049714351 15.999 > 1 8 O 0.56253818100686 0.85157621655160 0.97925049714351 15.999 > 1 9 O 0.28903803554474 0.43746181899314 0.31258383047685 15.999 > 9 10 O 0.78903803554474 0.43746181899314 0.31258383047685 15.999 > 9 11 O 0.28903803554474 0.93746181899314 0.31258383047685 15.999 > 9 12 O 0.78903803554474 0.93746181899314 0.31258383047685 15.999 > 9 13 O 0.28903803554474 0.43746181899314 0.81258383047685 15.999 > 9 14 O 0.78903803554474 0.43746181899314 0.81258383047685 15.999 > 9 15 O 0.28903803554474 0.93746181899314 0.81258383047685 15.999 > 9 16 O 0.78903803554474 0.93746181899314 0.81258383047685 15.999 > 9 17 O 0.14842378344840 0.21096196445526 0.14591716381018 15.999 > 17 18 O 0.64842378344840 0.21096196445526 0.14591716381018 15.999 > 17 19 O 0.14842378344840 0.71096196445526 0.14591716381018 15.999 > 17 20 O 0.64842378344840 0.71096196445526 0.14591716381018 15.999 > 17 21 O 0.14842378344840 0.21096196445526 0.64591716381018 15.999 > 17 22 O 0.64842378344840 0.21096196445526 0.64591716381018 15.999 > 17 23 O 0.14842378344840 0.71096196445526 0.64591716381018 15.999 > 17 24 O 0.64842378344840 0.71096196445526 0.64591716381018 15.999 > 17 25 O 0.35157621655160 0.06253818100686 0.02074950285649 15.999 > 25 26 O 0.85157621655160 0.06253818100686 0.02074950285649 15.999 > 25 27 O 0.35157621655160 0.56253818100686 0.02074950285649 15.999 > 25 28 O 0.85157621655160 0.56253818100686 0.02074950285649 15.999 > 25 29 O 0.35157621655160 0.06253818100686 0.52074950285649 15.999 > 25 30 O 0.85157621655160 0.06253818100686 0.52074950285649 15.999 > 25 31 O 0.35157621655160 0.56253818100686 0.52074950285649 15.999 > 25 32 O 0.85157621655160 0.56253818100686 0.52074950285649 15.999 > 25 33 O 0.21096196445526 0.14842378344840 0.35408283618982 15.999 > 33 34 O 0.71096196445526 0.14842378344840 0.35408283618982 15.999 > 33 35 O 0.21096196445526 0.64842378344840 0.35408283618982 15.999 > 33 36 O 0.71096196445526 0.64842378344840 0.35408283618982 15.999 > 33 37 O 0.21096196445526 0.14842378344840 0.85408283618982 15.999 > 33 38 O 0.71096196445526 0.14842378344840 0.85408283618982 15.999 > 33 39 O 0.21096196445526 0.64842378344840 0.85408283618982 15.999 > 33 40 O 0.71096196445526 0.64842378344840 0.85408283618982 15.999 > 33 41 O 0.43746181899314 0.28903803554474 0.18741616952315 15.999 > 41 42 O 0.93746181899314 0.28903803554474 0.18741616952315 15.999 > 41 43 O 0.43746181899314 0.78903803554474 0.18741616952315 15.999 > 41 44 O 0.93746181899314 0.78903803554474 0.18741616952315 15.999 > 41 45 O 0.43746181899314 0.28903803554474 0.68741616952315 15.999 > 41 46 O 0.93746181899314 0.28903803554474 0.68741616952315 15.999 > 41 47 O 0.43746181899314 0.78903803554474 0.68741616952315 15.999 > 41 48 O 0.93746181899314 0.78903803554474 0.68741616952315 15.999 > 41 49 Zn 0.20807279417889 0.00000000000000 0.41666666666667 65.380 > 49 50 Zn 0.70807279417889 0.00000000000000 0.41666666666667 65.380 > 49 51 Zn 0.20807279417889 0.50000000000000 0.41666666666667 65.380 > 49 52 Zn 0.70807279417889 0.50000000000000 0.41666666666667 65.380 > 49 53 Zn 0.20807279417889 0.00000000000000 0.91666666666667 65.380 > 49 54 Zn 0.70807279417889 0.00000000000000 0.91666666666667 65.380 > 49 55 Zn 0.20807279417889 0.50000000000000 0.91666666666667 65.380 > 49 56 Zn 0.70807279417889 0.50000000000000 0.91666666666667 65.380 > 49 57 Zn 0.00000000000000 0.20807279417889 0.08333333333333 65.380 > 57 58 Zn 0.50000000000000 0.20807279417889 0.08333333333333 65.380 > 57 59 Zn 0.00000000000000 0.70807279417889 0.08333333333333 65.380 > 57 60 Zn 0.50000000000000 0.70807279417889 0.08333333333333 65.380 > 57 61 Zn 0.00000000000000 0.20807279417889 0.58333333333333 65.380 > 57 62 Zn 0.50000000000000 0.20807279417889 0.58333333333333 65.380 > 57 63 Zn 0.00000000000000 0.70807279417889 0.58333333333333 65.380 > 57 64 Zn 0.50000000000000 0.70807279417889 0.58333333333333 65.380 > 57 65 Zn 0.29192720582111 0.29192720582111 0.25000000000000 65.380 > 65 66 Zn 0.79192720582111 0.29192720582111 0.25000000000000 65.380 > 65 67 Zn 0.29192720582111 0.79192720582111 0.25000000000000 65.380 > 65 68 Zn 0.79192720582111 0.79192720582111 0.25000000000000 65.380 > 65 69 Zn 0.29192720582111 0.29192720582111 0.75000000000000 65.380 > 65 70 Zn 0.79192720582111 0.29192720582111 0.75000000000000 65.380 > 65 71 Zn 0.29192720582111 0.79192720582111 0.75000000000000 65.380 > 65 72 Zn 0.79192720582111 0.79192720582111 0.75000000000000 65.380 > 65 73 Ba 0.32664070267185 0.32664070267185 0.00000000000000 137.327 > 73 74 Ba 0.82664070267185 0.32664070267185 0.00000000000000 137.327 > 73 75 Ba 0.32664070267185 0.82664070267185 0.00000000000000 137.327 > 73 76 Ba 0.82664070267185 0.82664070267185 0.00000000000000 137.327 > 73 77 Ba 0.32664070267185 0.32664070267185 0.50000000000000 137.327 > 73 78 Ba 0.82664070267185 0.32664070267185 0.50000000000000 137.327 > 73 79 Ba 0.32664070267185 0.82664070267185 0.50000000000000 137.327 > 73 80 Ba 0.82664070267185 0.82664070267185 0.50000000000000 137.327 > 73 81 Ba 0.00000000000000 0.17335929732815 0.33333333333333 137.327 > 81 82 Ba 0.50000000000000 0.17335929732815 0.33333333333333 137.327 > 81 83 Ba 0.00000000000000 0.67335929732815 0.33333333333333 137.327 > 81 84 Ba 0.50000000000000 0.67335929732815 0.33333333333333 137.327 > 81 85 Ba 0.00000000000000 0.17335929732815 0.83333333333333 137.327 > 81 86 Ba 0.50000000000000 0.17335929732815 0.83333333333333 137.327 > 81 87 Ba 0.00000000000000 0.67335929732815 0.83333333333333 137.327 > 81 88 Ba 0.50000000000000 0.67335929732815 0.83333333333333 137.327 > 81 89 Ba 0.17335929732815 0.00000000000000 0.16666666666667 137.327 > 89 90 Ba 0.67335929732815 0.00000000000000 0.16666666666667 137.327 > 89 91 Ba 0.17335929732815 0.50000000000000 0.16666666666667 137.327 > 89 92 Ba 0.67335929732815 0.50000000000000 0.16666666666667 137.327 > 89 93 Ba 0.17335929732815 0.00000000000000 0.66666666666667 137.327 > 89 94 Ba 0.67335929732815 0.00000000000000 0.66666666666667 137.327 > 89 95 Ba 0.17335929732815 0.50000000000000 0.66666666666667 137.327 > 89 96 Ba 0.67335929732815 0.50000000000000 0.66666666666667 137.327 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2671094 0.0000000 0.0000000 0.0000000 4.2671094 0.0000000 0.0000000 0.0000000 4.3148763 -------------------------- Born effective charges -------------------------- 1 O -2.2048860 -0.4810604 0.2548090 -0.3212667 -2.3613026 0.1753329 0.1551951 0.2156928 -2.2700272 2 O -1.9747807 0.1884153 0.0244383 0.3482090 -2.5914080 -0.3083375 0.1091979 -0.2422493 -2.2700272 3 O -2.6696163 0.0529545 -0.2792473 0.2127482 -1.8965723 0.1330046 -0.2643930 0.0265565 -2.2700272 4 O -1.9747807 -0.1884153 -0.0244383 -0.3482090 -2.5914080 -0.3083375 -0.1091979 -0.2422493 -2.2700272 5 O -2.2048860 0.4810604 -0.2548090 0.3212667 -2.3613026 0.1753329 -0.1551951 0.2156928 -2.2700272 6 O -2.6696163 -0.0529545 0.2792473 -0.2127482 -1.8965723 0.1330046 0.2643930 0.0265565 -2.2700272 7 Zn 1.7413673 0.0000000 -0.0000000 -0.0000000 2.1198646 -0.0860070 -0.0000000 -0.2674982 1.9259268 8 Zn 2.0252402 0.1638941 0.0744842 0.1638941 1.8359916 0.0430035 0.2316603 0.1337491 1.9259268 9 Zn 2.0252402 -0.1638941 -0.0744842 -0.1638941 1.8359916 0.0430035 -0.2316603 0.1337491 1.9259268 10 Ba 2.7873973 -0.2629679 -0.0412227 -0.2629679 2.4837481 0.0238000 -0.0254797 0.0147107 2.6141275 11 Ba 2.7873973 0.2629679 0.0412227 0.2629679 2.4837481 0.0238000 0.0254797 0.0147107 2.6141275 12 Ba 2.3319235 0.0000000 -0.0000000 -0.0000000 2.9392219 -0.0475999 -0.0000000 -0.0294215 2.6141275 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000066 (yxy) -0.00000066 (yxy) -0.00000066 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.946 ( 0.000 0.000 -0.000) 0.000 2.967 ( 0.000 -0.000 -0.000) 0.000 2.967 ( 0.000 -0.000 0.000) 0.000 3.338 ( -0.000 -0.000 0.000) 0.000 3.979 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 -0.000) 0.000 5.059 ( 0.000 -0.000 0.000) 0.000 5.059 ( 0.000 -0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 -0.000 -0.000) 0.000 6.423 ( 0.000 0.000 -0.000) 0.000 6.423 ( 0.000 0.000 -0.000) 0.000 6.474 ( 0.000 0.000 -0.000) 0.000 6.696 ( -0.000 0.000 -0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 -0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 -0.000) 0.000 8.112 ( 0.000 0.000 -0.000) 0.000 8.112 ( 0.000 0.000 -0.000) 0.000 8.338 ( 0.000 0.000 -0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 15.112 ( 0.000 -0.000 -0.000) 0.000 15.233 ( 0.000 0.000 -0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 16.319 ( -0.000 0.000 0.000) 0.000 18.486 ( 0.000 0.000 0.000) 0.000 18.486 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 21.725 12.543 -2.041) 25.168 0.531 ( 22.059 12.736 -3.600) 25.725 0.898 ( 38.723 22.357 3.046) 44.817 2.183 ( -0.670 -0.387 0.751) 1.078 2.203 ( -2.425 -1.400 -0.660) 2.877 2.800 ( -9.913 -5.723 0.706) 11.469 2.899 ( -5.537 -3.197 -1.749) 6.628 3.007 ( -0.866 -0.500 2.490) 2.683 3.248 ( -6.830 -3.943 -1.300) 7.993 3.989 ( 0.562 0.324 1.370) 1.516 4.060 ( -2.687 -1.551 -0.640) 3.168 4.159 ( -2.663 -1.538 4.424) 5.388 4.171 ( 0.974 0.562 -6.546) 6.642 5.046 ( -1.242 -0.717 1.438) 2.031 5.404 ( -0.576 -0.333 -0.306) 0.733 5.720 ( 1.800 1.039 0.012) 2.078 5.824 ( -4.131 -2.385 0.602) 4.808 6.367 ( -2.293 -1.324 1.298) 2.949 6.437 ( 0.341 0.197 1.903) 1.943 6.498 ( 0.342 0.198 -4.981) 4.997 6.747 ( 3.458 1.996 2.963) 4.972 6.791 ( 1.327 0.766 -0.831) 1.743 7.683 ( -1.187 -0.685 -1.602) 2.108 7.867 ( 1.158 0.668 -1.870) 2.298 8.119 ( 1.010 0.583 1.778) 2.126 8.127 ( 1.706 0.985 -1.262) 2.339 8.361 ( 2.072 1.196 0.057) 2.393 9.436 ( 1.140 0.658 -14.224) 14.285 9.476 ( 3.554 2.052 18.288) 18.743 10.578 ( 3.026 1.747 -2.659) 4.391 15.131 ( 1.228 0.709 0.080) 1.421 15.253 ( 2.120 1.224 0.079) 2.449 16.301 ( -1.539 -0.889 -0.687) 1.906 17.256 ( 2.794 1.613 1.468) 3.544 18.456 ( -2.612 -1.508 1.460) 3.351 18.515 ( -0.550 -0.317 -2.048) 2.144 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 19.117 11.037 -1.312) 22.113 1.002 ( 19.086 11.020 -3.074) 22.252 1.726 ( 33.188 19.161 3.060) 38.444 2.138 ( -3.129 -1.807 -1.615) 3.958 2.166 ( -0.640 -0.369 2.217) 2.337 2.509 ( -14.888 -8.595 2.640) 17.392 2.744 ( -7.452 -4.303 -3.668) 9.354 2.895 ( -8.832 -5.099 5.009) 11.362 3.108 ( -4.589 -2.649 -4.713) 7.091 3.972 ( -2.266 -1.308 4.771) 5.441 4.006 ( -2.954 -1.706 -2.966) 4.520 4.089 ( -1.344 -0.776 -1.582) 2.216 4.195 ( 0.855 0.494 -1.285) 1.621 5.002 ( -2.519 -1.454 1.971) 3.513 5.389 ( -0.864 -0.499 -0.820) 1.291 5.692 ( -6.702 -3.870 -2.914) 8.269 5.764 ( 1.191 0.688 3.558) 3.815 6.353 ( 1.187 0.685 0.592) 1.493 6.449 ( 0.492 0.284 0.046) 0.570 6.497 ( 0.230 0.133 -2.009) 2.027 6.798 ( 1.028 0.594 5.754) 5.875 6.856 ( 3.796 2.191 -3.300) 5.486 7.651 ( -1.636 -0.945 -3.007) 3.551 7.881 ( -0.155 -0.090 -3.448) 3.452 8.117 ( -0.882 -0.509 3.368) 3.519 8.192 ( 3.246 1.874 -1.994) 4.246 8.429 ( 3.605 2.082 0.257) 4.171 9.480 ( 2.834 1.636 -7.654) 8.324 9.588 ( 6.011 3.470 14.059) 15.679 10.667 ( 4.521 2.610 -4.059) 6.613 15.148 ( 0.229 0.132 0.329) 0.422 15.343 ( 5.743 3.316 -0.326) 6.639 16.251 ( -2.885 -1.665 -0.797) 3.425 17.346 ( 5.090 2.939 2.269) 6.300 18.369 ( -5.026 -2.902 2.072) 6.162 18.499 ( -0.886 -0.512 -3.091) 3.256 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 12.647 7.302 -0.611) 14.616 1.390 ( 15.432 8.909 -4.317) 18.334 1.975 ( -13.541 -7.818 0.475) 15.643 2.152 ( 1.114 0.643 2.550) 2.856 2.239 ( -1.133 -0.654 6.505) 6.635 2.356 ( 12.656 7.307 0.975) 14.647 2.599 ( -4.097 -2.366 -4.940) 6.840 2.679 ( -7.975 -4.604 4.261) 10.146 3.021 ( -3.153 -1.820 -4.869) 6.080 3.918 ( -1.695 -0.978 2.150) 2.907 3.949 ( -0.011 -0.007 -1.084) 1.084 4.101 ( 1.355 0.782 -1.449) 2.132 4.215 ( 0.990 0.571 -0.700) 1.340 4.936 ( -3.225 -1.862 0.791) 3.807 5.337 ( -4.648 -2.684 0.833) 5.432 5.543 ( -5.839 -3.371 -2.923) 7.349 5.773 ( 0.090 0.052 2.257) 2.259 6.393 ( 0.946 0.546 1.395) 1.772 6.467 ( 2.186 1.262 -5.106) 5.696 6.522 ( 1.608 0.928 3.127) 3.636 6.802 ( -0.619 -0.357 4.353) 4.412 6.943 ( 3.772 2.178 -1.886) 4.746 7.611 ( -1.764 -1.018 -3.794) 4.306 7.864 ( -1.139 -0.658 -3.756) 3.980 8.086 ( -1.742 -1.006 3.796) 4.296 8.258 ( 2.426 1.401 -1.632) 3.242 8.508 ( 3.158 1.824 0.313) 3.661 9.564 ( 4.361 2.518 -4.353) 6.656 9.725 ( 5.402 3.119 10.499) 12.212 10.769 ( 4.213 2.432 -3.776) 6.158 15.147 ( -0.221 -0.128 0.311) 0.402 15.497 ( 7.415 4.281 -0.754) 8.595 16.173 ( -3.883 -2.242 -0.312) 4.495 17.481 ( 6.678 3.856 2.216) 8.024 18.232 ( -6.939 -4.006 1.834) 8.219 18.478 ( -0.864 -0.499 -2.977) 3.139 ======================= Grid point 4 (5/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.512 -1.450 -4.384) 5.257 1.675 ( 3.327 1.921 -0.130) 3.844 1.727 ( 3.434 1.982 1.880) 4.388 2.172 ( 0.568 0.328 4.173) 4.225 2.230 ( -1.685 -0.973 5.656) 5.981 2.403 ( -2.733 -1.578 -6.271) 7.021 2.507 ( -1.513 -0.874 -0.316) 1.775 2.654 ( -0.502 -0.290 2.466) 2.533 2.970 ( -2.085 -1.204 -1.607) 2.895 3.886 ( -1.085 -0.626 0.644) 1.408 4.079 ( 8.779 5.069 1.699) 10.279 4.135 ( 2.182 1.260 -5.290) 5.860 4.251 ( 3.304 1.907 0.606) 3.862 4.858 ( -3.860 -2.229 -0.310) 4.468 5.169 ( -9.041 -5.220 2.430) 10.718 5.442 ( -3.033 -1.751 -1.674) 3.881 5.786 ( 0.913 0.527 0.271) 1.088 6.391 ( -0.485 -0.280 -0.453) 0.720 6.534 ( 2.625 1.516 -1.661) 3.457 6.555 ( 1.126 0.650 2.704) 3.001 6.778 ( -1.107 -0.639 1.758) 2.174 7.018 ( 2.545 1.469 -0.436) 2.971 7.578 ( -1.003 -0.579 -2.941) 3.161 7.840 ( -0.771 -0.445 -2.612) 2.760 8.044 ( -1.717 -0.991 2.824) 3.451 8.299 ( 1.186 0.685 -0.748) 1.560 8.565 ( 1.753 1.012 0.152) 2.030 9.663 ( 3.917 2.261 -3.088) 5.476 9.814 ( 2.317 1.338 6.705) 7.219 10.847 ( 2.533 1.462 -2.194) 3.656 15.141 ( -0.198 -0.114 0.148) 0.272 15.660 ( 6.435 3.715 -0.881) 7.483 16.080 ( -4.070 -2.350 0.272) 4.707 17.642 ( 7.317 4.224 1.457) 8.573 18.063 ( -7.652 -4.418 0.934) 8.885 18.462 ( -0.519 -0.300 -1.802) 1.899 ======================= Grid point 5 (6/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 -0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 2.210 ( 0.000 0.000 -0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 -0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 -0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 -0.000) 0.000 5.039 ( 0.000 0.000 -0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 -0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 -0.000) 0.000 6.764 ( 0.000 0.000 -0.000) 0.000 7.048 ( 0.000 0.000 -0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 -0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 -0.000) 0.000 8.585 ( 0.000 0.000 -0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 -0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 -0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 16.020 ( 0.000 0.000 -0.000) 0.000 17.765 ( 0.000 0.000 0.000) 0.000 17.936 ( 0.000 0.000 0.000) 0.000 18.456 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/80) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 9.381 16.248 0.000) 18.762 0.882 ( 11.555 20.015 0.000) 23.111 1.602 ( 21.110 36.563 0.000) 42.219 2.163 ( -1.219 -2.112 0.000) 2.439 2.168 ( -0.581 -1.006 0.000) 1.162 2.619 ( -7.198 -12.467 0.000) 14.396 2.741 ( -6.329 -10.962 0.000) 12.658 2.997 ( -1.248 -2.161 0.000) 2.496 3.110 ( -5.038 -8.726 0.000) 10.076 3.998 ( -2.198 -3.806 0.000) 4.395 4.000 ( -0.010 -0.017 0.000) 0.020 4.113 ( -1.645 -2.850 0.000) 3.291 4.183 ( 0.290 0.503 0.000) 0.581 5.021 ( -1.024 -1.774 0.000) 2.049 5.402 ( -0.136 -0.236 0.000) 0.272 5.723 ( -0.026 -0.045 0.000) 0.052 5.765 ( -2.419 -4.189 0.000) 4.837 6.335 ( -0.179 -0.310 0.000) 0.358 6.463 ( 0.677 1.172 0.000) 1.353 6.491 ( -0.256 -0.443 0.000) 0.512 6.797 ( 1.336 2.315 0.000) 2.673 6.825 ( 1.664 2.882 0.000) 3.328 7.647 ( -1.434 -2.485 0.000) 2.869 7.906 ( 1.340 2.321 0.000) 2.680 8.115 ( -0.484 -0.838 0.000) 0.968 8.168 ( 1.592 2.757 0.000) 3.184 8.408 ( 1.896 3.283 0.000) 3.791 9.424 ( 0.463 0.802 0.000) 0.926 9.596 ( 4.219 7.307 0.000) 8.437 10.634 ( 2.165 3.750 0.000) 4.330 15.179 ( 1.850 3.204 0.000) 3.699 15.276 ( 1.165 2.018 0.000) 2.330 16.267 ( -1.495 -2.589 0.000) 2.989 17.319 ( 2.723 4.717 0.000) 5.447 18.398 ( -2.510 -4.347 0.000) 5.020 18.504 ( -0.492 -0.852 0.000) 0.984 ======================= Grid point 13 (8/80) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 21.372 4.689 -1.719) 21.948 1.249 ( 11.692 12.792 -0.180) 17.331 2.071 ( -1.338 -0.326 -0.836) 1.611 2.144 ( -0.832 -0.108 -0.327) 0.901 2.226 ( 2.568 6.669 4.214) 8.296 2.381 ( -1.847 6.554 2.084) 7.121 2.541 ( -1.694 -12.373 -2.032) 12.652 2.857 ( -11.336 -0.844 1.645) 11.486 3.000 ( 0.885 -7.303 -3.157) 8.005 3.921 ( -2.004 -3.572 1.327) 4.305 3.972 ( -1.760 -0.811 -0.705) 2.062 4.090 ( 0.660 0.413 -1.002) 1.269 4.191 ( 0.829 -0.782 -0.148) 1.149 4.975 ( -2.484 -1.316 0.625) 2.880 5.382 ( -2.333 -0.909 0.092) 2.506 5.643 ( -7.010 -0.391 -3.277) 7.748 5.742 ( 2.291 -2.911 3.235) 4.918 6.350 ( 1.776 -0.902 0.363) 2.025 6.479 ( -0.161 2.237 -3.053) 3.788 6.503 ( 1.573 0.768 2.019) 2.672 6.813 ( -0.679 0.185 3.335) 3.409 6.908 ( 3.656 3.790 -1.803) 5.566 7.598 ( -0.682 -3.599 -1.845) 4.101 7.931 ( -2.622 4.221 -3.193) 5.907 8.090 ( -0.015 -2.396 3.284) 4.065 8.232 ( 2.282 2.682 -1.395) 3.788 8.471 ( 2.477 1.564 0.270) 2.941 9.482 ( 4.931 1.316 -0.939) 5.189 9.734 ( 2.587 8.284 4.606) 9.825 10.714 ( 3.653 1.972 -2.292) 4.742 15.208 ( -3.238 5.673 0.356) 6.541 15.375 ( 8.674 0.184 -0.508) 8.691 16.200 ( -2.780 -3.505 -0.268) 4.482 17.434 ( 4.565 5.863 1.235) 7.533 18.289 ( -4.764 -5.143 1.139) 7.102 18.484 ( -0.712 -0.966 -1.748) 2.121 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 13.040 -0.588 -2.157) 13.231 1.530 ( 11.505 6.306 -2.451) 13.347 1.817 ( -14.197 -7.989 3.786) 16.725 2.152 ( 1.394 -0.975 2.589) 3.098 2.179 ( 0.831 -5.873 2.409) 6.402 2.404 ( 1.375 -4.026 -3.666) 5.616 2.575 ( -5.807 2.897 1.522) 6.666 2.725 ( -3.877 4.428 0.138) 5.887 2.978 ( 1.087 -0.595 -0.953) 1.563 3.874 ( 0.014 -3.064 0.146) 3.068 4.005 ( 4.554 4.761 0.096) 6.589 4.124 ( 1.686 2.363 -3.383) 4.458 4.203 ( 2.621 -1.210 1.431) 3.222 4.914 ( -3.666 -0.462 -0.159) 3.699 5.272 ( -7.718 -4.230 1.565) 8.939 5.535 ( -6.567 2.550 -2.095) 7.349 5.762 ( 2.341 -0.708 1.100) 2.682 6.354 ( 1.439 -3.841 -0.034) 4.102 6.517 ( 1.590 2.245 -1.835) 3.306 6.545 ( 1.417 1.786 1.794) 2.900 6.789 ( -1.195 -1.131 2.392) 2.903 7.008 ( 2.676 4.746 -0.608) 5.482 7.558 ( 0.242 -3.558 -2.494) 4.352 7.904 ( -4.377 3.611 -3.552) 6.694 8.076 ( -0.620 0.336 3.739) 3.805 8.281 ( 1.007 1.239 -1.425) 2.140 8.521 ( 3.051 -0.949 0.385) 3.218 9.602 ( 6.105 3.069 -1.428) 6.980 9.829 ( 0.124 5.457 5.260) 7.581 10.788 ( 4.020 -0.698 -2.368) 4.717 15.202 ( -3.680 5.444 0.256) 6.576 15.543 ( 9.835 0.730 -0.787) 9.894 16.106 ( -3.446 -4.802 0.102) 5.911 17.583 ( 5.689 6.217 1.302) 8.527 18.141 ( -6.510 -5.055 1.141) 8.321 18.464 ( -0.483 -0.957 -1.868) 2.154 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.537 -2.838 -1.854) 4.900 1.652 ( 1.704 -4.103 3.073) 5.402 1.763 ( 9.642 0.542 -2.606) 10.003 2.080 ( -0.373 -9.208 2.002) 9.430 2.184 ( 1.760 -1.384 2.101) 3.070 2.442 ( -0.551 3.032 -2.492) 3.963 2.480 ( -1.852 -0.473 0.369) 1.947 2.694 ( -3.389 3.279 -0.788) 4.781 2.963 ( -2.348 0.344 1.265) 2.689 3.853 ( 0.686 -2.308 -0.182) 2.414 4.106 ( 3.319 -1.139 2.129) 4.104 4.154 ( 1.281 -2.645 -2.897) 4.126 4.362 ( 7.725 10.721 -0.924) 13.247 4.832 ( -5.603 -0.454 0.131) 5.623 5.088 ( -6.535 -2.924 1.222) 7.263 5.474 ( -4.497 4.500 -0.588) 6.389 5.795 ( 0.985 0.730 -0.033) 1.226 6.338 ( 2.160 -4.930 -0.132) 5.384 6.558 ( 1.240 0.768 0.752) 1.641 6.571 ( -0.032 0.655 -0.262) 0.706 6.765 ( -0.475 -0.390 0.646) 0.891 7.077 ( -0.305 4.537 0.022) 4.547 7.537 ( 1.221 -3.194 -1.253) 3.642 7.873 ( -2.801 3.010 -1.380) 4.337 8.070 ( -2.500 3.850 1.532) 4.839 8.296 ( 0.835 -0.990 -0.544) 1.405 8.553 ( 2.390 -2.293 0.144) 3.315 9.726 ( 2.869 4.664 -1.911) 5.799 9.842 ( -1.652 0.658 3.457) 3.888 10.831 ( 3.129 -3.069 -0.953) 4.485 15.195 ( -3.317 5.337 0.078) 6.285 15.697 ( 6.340 0.312 -0.589) 6.375 16.002 ( -1.612 -5.667 0.336) 5.902 17.737 ( 5.025 4.943 0.577) 7.073 17.983 ( -6.084 -3.353 0.411) 6.958 18.451 ( 0.054 -0.776 -0.773) 1.097 ======================= Grid point 23 (11/80) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 5.988 10.372 0.000) 11.977 1.470 ( 5.534 9.585 0.000) 11.068 1.943 ( -8.229 -14.253 0.000) 16.458 2.094 ( -3.037 -5.260 0.000) 6.073 2.150 ( -0.488 -0.846 0.000) 0.976 2.360 ( -1.386 -2.401 0.000) 2.772 2.657 ( 2.695 4.667 0.000) 5.389 2.805 ( -3.257 -5.641 0.000) 6.513 2.941 ( 2.626 4.548 0.000) 5.251 3.853 ( -1.680 -2.910 0.000) 3.360 3.997 ( 1.745 3.022 0.000) 3.489 4.123 ( 2.727 4.723 0.000) 5.453 4.167 ( -0.995 -1.723 0.000) 1.990 4.947 ( -0.908 -1.574 0.000) 1.817 5.322 ( -3.306 -5.727 0.000) 6.613 5.663 ( -1.236 -2.141 0.000) 2.472 5.689 ( 1.324 2.294 0.000) 2.649 6.314 ( -1.603 -2.777 0.000) 3.206 6.516 ( 0.864 1.497 0.000) 1.728 6.542 ( 1.589 2.752 0.000) 3.178 6.794 ( -0.927 -1.605 0.000) 1.854 7.009 ( 3.486 6.039 0.000) 6.973 7.533 ( -1.637 -2.836 0.000) 3.275 8.019 ( 2.114 3.662 0.000) 4.228 8.029 ( -1.482 -2.567 0.000) 2.964 8.296 ( 1.798 3.114 0.000) 3.595 8.476 ( -0.527 -0.913 0.000) 1.054 9.557 ( 3.491 6.046 0.000) 6.981 9.866 ( 2.664 4.614 0.000) 5.328 10.740 ( 0.406 0.704 0.000) 0.813 15.347 ( 3.037 5.260 0.000) 6.074 15.373 ( 1.597 2.765 0.000) 3.193 16.111 ( -3.271 -5.666 0.000) 6.543 17.566 ( 4.213 7.296 0.000) 8.425 18.173 ( -3.737 -6.473 0.000) 7.475 18.462 ( -0.661 -1.145 0.000) 1.322 ======================= Grid point 24 (12/80) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 5.328 -0.129 -0.822) 5.392 1.624 ( -4.054 -4.967 2.426) 6.855 1.654 ( 1.540 -1.358 -1.915) 2.808 2.002 ( -0.064 -6.564 0.611) 6.593 2.153 ( 0.114 -0.989 1.237) 1.588 2.381 ( 2.720 -0.278 -0.915) 2.883 2.623 ( -6.143 3.523 0.507) 7.099 2.747 ( 0.207 -0.356 -2.523) 2.557 2.990 ( -1.200 -0.850 2.346) 2.769 3.820 ( 0.389 -1.823 -0.701) 1.992 4.038 ( 1.967 -0.775 1.019) 2.347 4.120 ( -0.933 -3.787 -1.089) 4.049 4.342 ( 9.383 15.233 -0.480) 17.897 4.911 ( -2.822 0.070 0.017) 2.823 5.162 ( -6.975 -7.156 0.606) 10.012 5.601 ( -4.434 2.357 -0.393) 5.037 5.778 ( 3.348 3.518 0.025) 4.857 6.249 ( -0.025 -6.777 0.098) 6.778 6.546 ( 1.076 1.170 -0.022) 1.589 6.578 ( 0.207 0.837 0.073) 0.865 6.772 ( -0.413 -0.085 0.527) 0.675 7.125 ( 1.980 6.796 0.137) 7.080 7.486 ( -0.068 -3.871 -0.808) 3.955 7.964 ( -3.920 1.779 -1.478) 4.551 8.113 ( 3.215 3.826 1.827) 5.322 8.315 ( -3.323 2.150 -1.139) 4.119 8.466 ( 3.253 -4.563 0.510) 5.628 9.698 ( 5.279 6.287 -0.511) 8.225 9.904 ( -2.148 1.965 1.629) 3.336 10.746 ( 1.822 -3.203 -0.722) 3.755 15.346 ( -5.787 8.753 0.238) 10.496 15.544 ( 11.017 -0.049 -0.536) 11.030 15.980 ( -3.899 -7.950 0.202) 8.857 17.712 ( 4.549 6.588 0.273) 8.010 18.041 ( -4.914 -4.995 0.386) 7.017 18.443 ( -0.279 -1.090 -0.537) 1.247 ======================= Grid point 25 (13/80) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.040 0.070 0.000) 0.081 1.513 ( 4.936 -8.550 -0.000) 9.873 1.732 ( 1.799 -3.116 0.000) 3.598 1.976 ( 0.308 -0.534 -0.000) 0.617 2.136 ( 1.753 -3.036 0.000) 3.506 2.404 ( 2.034 -3.523 0.000) 4.068 2.589 ( -4.768 8.259 -0.000) 9.537 2.765 ( -1.709 2.960 0.000) 3.417 2.949 ( 1.303 -2.257 -0.000) 2.606 3.817 ( 0.583 -1.009 -0.000) 1.165 4.069 ( 1.695 -2.936 0.000) 3.390 4.071 ( 2.098 -3.634 -0.000) 4.196 4.576 ( -5.079 8.797 -0.000) 10.158 4.847 ( -1.454 2.518 0.000) 2.908 5.041 ( 1.481 -2.565 0.000) 2.962 5.573 ( -2.404 4.163 -0.000) 4.807 5.832 ( -1.998 3.460 0.000) 3.995 6.208 ( 4.439 -7.689 -0.000) 8.878 6.570 ( 0.004 -0.006 0.000) 0.007 6.573 ( -0.130 0.225 -0.000) 0.260 6.771 ( -0.453 0.785 0.000) 0.907 7.182 ( -3.242 5.616 0.000) 6.485 7.462 ( 2.449 -4.241 -0.000) 4.898 7.938 ( -1.890 3.274 0.000) 3.780 8.182 ( -3.654 6.329 -0.000) 7.308 8.269 ( 0.543 -0.940 -0.000) 1.085 8.477 ( 3.043 -5.270 0.000) 6.085 9.835 ( -0.354 0.613 -0.000) 0.708 9.837 ( -2.419 4.191 0.000) 4.839 10.745 ( 2.810 -4.868 -0.000) 5.621 15.339 ( -5.162 8.941 0.000) 10.325 15.676 ( 1.662 -2.879 -0.000) 3.324 15.871 ( 3.798 -6.578 0.000) 7.595 17.813 ( -1.333 2.309 0.000) 2.667 17.944 ( 0.287 -0.498 -0.000) 0.575 18.434 ( 0.455 -0.788 0.000) 0.910 ======================= Grid point 35 (14/80) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.417 0.723 0.000) 0.835 1.429 ( -4.219 -7.307 0.000) 8.437 1.695 ( 0.327 0.567 0.000) 0.655 1.985 ( 2.061 3.569 0.000) 4.121 2.099 ( -2.412 -4.178 0.000) 4.824 2.361 ( -0.636 -1.101 0.000) 1.271 2.727 ( 3.160 5.474 0.000) 6.321 2.762 ( 1.311 2.270 0.000) 2.621 2.911 ( -3.616 -6.263 0.000) 7.232 3.810 ( 0.240 0.415 0.000) 0.479 4.021 ( -0.244 -0.422 0.000) 0.487 4.044 ( -1.770 -3.066 0.000) 3.540 4.660 ( 8.611 14.914 0.000) 17.222 4.911 ( -0.411 -0.712 0.000) 0.823 4.989 ( -5.575 -9.656 0.000) 11.150 5.612 ( -0.142 -0.246 0.000) 0.284 5.898 ( 4.148 7.184 0.000) 8.295 6.099 ( -4.397 -7.616 0.000) 8.794 6.566 ( 0.451 0.782 0.000) 0.903 6.578 ( -0.249 -0.432 0.000) 0.498 6.781 ( 0.314 0.544 0.000) 0.628 7.258 ( 3.523 6.102 0.000) 7.046 7.401 ( -2.646 -4.584 0.000) 5.293 7.977 ( 0.043 0.075 0.000) 0.086 8.220 ( 3.751 6.496 0.000) 7.501 8.353 ( -2.251 -3.899 0.000) 4.502 8.353 ( -0.829 -1.436 0.000) 1.658 9.823 ( 3.206 5.552 0.000) 6.411 9.904 ( -1.101 -1.906 0.000) 2.201 10.686 ( -1.188 -2.058 0.000) 2.377 15.489 ( 1.625 2.815 0.000) 3.250 15.590 ( 4.052 7.018 0.000) 8.104 15.802 ( -5.543 -9.600 0.000) 11.085 17.832 ( 3.098 5.366 0.000) 6.197 17.946 ( -2.665 -4.616 0.000) 5.331 18.426 ( -0.293 -0.507 0.000) 0.585 ======================= Grid point 109 (15/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 -0.000 25.368) 25.368 0.579 ( 0.000 0.000 27.175) 27.175 0.990 ( 0.000 0.000 45.248) 45.248 2.210 ( 0.000 -0.000 6.803) 6.803 2.315 ( 0.000 0.000 4.025) 4.025 2.884 ( 0.000 0.000 -6.411) 6.411 2.959 ( -0.000 0.000 2.486) 2.486 2.992 ( 0.000 -0.000 0.838) 0.838 3.234 ( 0.000 0.000 -7.324) 7.324 3.995 ( 0.000 -0.000 -4.012) 4.012 4.070 ( 0.000 0.000 6.831) 6.831 4.238 ( 0.000 0.000 5.185) 5.185 4.337 ( 0.000 -0.000 -5.549) 5.549 5.028 ( 0.000 0.000 -4.502) 4.502 5.087 ( 0.000 0.000 2.186) 2.186 5.581 ( 0.000 -0.000 -3.357) 3.357 5.786 ( 0.000 -0.000 2.397) 2.397 6.286 ( 0.000 0.000 -6.001) 6.001 6.527 ( 0.000 0.000 -2.700) 2.700 6.564 ( -0.000 0.000 6.436) 6.436 6.756 ( 0.000 -0.000 -1.165) 1.165 7.324 ( 0.000 0.000 1.629) 1.629 7.747 ( 0.000 0.000 -5.464) 5.464 7.891 ( 0.000 -0.000 -0.128) 0.128 8.084 ( 0.000 -0.000 -0.843) 0.843 8.149 ( 0.000 -0.000 1.697) 1.697 8.316 ( 0.000 0.000 -2.087) 2.087 8.863 ( 0.000 -0.000 -25.593) 25.593 9.971 ( 0.000 0.000 23.181) 23.181 11.070 ( 0.000 -0.000 -1.411) 1.411 15.107 ( 0.000 0.000 -0.428) 0.428 15.188 ( 0.000 -0.000 -1.987) 1.987 15.283 ( 0.000 -0.000 2.337) 2.337 17.573 ( 0.000 -0.000 3.809) 3.809 18.380 ( 0.000 0.000 -6.108) 6.108 18.547 ( 0.000 0.000 1.945) 1.945 ======================= Grid point 110 (16/80) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 9.239 5.334 17.850) 20.795 0.679 ( 11.667 6.736 18.517) 22.898 1.428 ( 28.293 16.335 33.711) 46.944 2.208 ( -1.144 -0.660 5.796) 5.944 2.301 ( -1.265 -0.731 3.590) 3.876 2.778 ( -8.198 -4.733 -2.976) 9.923 2.886 ( -5.941 -3.430 1.156) 6.957 3.001 ( 0.052 0.030 -0.741) 0.743 3.151 ( -6.911 -3.990 -6.322) 10.181 3.985 ( -1.252 -0.723 -5.072) 5.274 4.022 ( -3.718 -2.146 4.842) 6.471 4.179 ( -2.212 -1.277 4.685) 5.336 4.265 ( -3.920 -2.263 -0.287) 4.535 5.061 ( 0.256 0.148 -2.414) 2.432 5.221 ( 6.875 3.969 -7.067) 10.629 5.604 ( 1.482 0.856 -3.736) 4.110 5.793 ( 0.371 0.214 0.800) 0.907 6.261 ( -1.311 -0.757 -5.953) 6.142 6.550 ( 1.832 1.058 4.709) 5.163 6.582 ( 0.912 0.527 0.149) 1.064 6.753 ( -0.649 -0.375 -0.965) 1.221 7.136 ( -10.263 -5.925 14.330) 18.595 7.687 ( -3.580 -2.067 -1.012) 4.256 7.856 ( -1.957 -1.130 0.854) 2.416 8.097 ( 1.410 0.814 -1.239) 2.046 8.168 ( 1.351 0.780 2.193) 2.692 8.345 ( 2.424 1.399 -1.429) 3.142 8.927 ( 5.975 3.450 -25.234) 26.160 9.974 ( 1.104 0.637 21.617) 21.654 10.782 ( -11.195 -6.463 10.813) 16.853 15.122 ( 1.527 0.882 -0.674) 1.888 15.249 ( 2.194 1.267 -0.618) 2.608 15.752 ( 22.871 13.205 -21.926) 34.325 17.480 ( -4.291 -2.477 8.794) 10.093 18.367 ( -1.755 -1.013 -7.194) 7.474 18.536 ( -1.008 -0.582 2.299) 2.577 ======================= Grid point 111 (17/80) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 17.559 10.138 2.383) 20.415 1.027 ( 16.932 9.776 8.726) 21.411 2.060 ( 21.754 12.560 21.348) 32.965 2.153 ( -3.308 -1.910 3.688) 5.309 2.286 ( 3.773 2.178 6.193) 7.572 2.551 ( -10.593 -6.116 1.507) 12.324 2.717 ( -8.448 -4.877 1.623) 9.888 2.950 ( -9.917 -5.726 -2.424) 11.705 2.974 ( -2.552 -1.474 -2.831) 4.087 3.924 ( -3.750 -2.165 -3.976) 5.878 3.945 ( -2.961 -1.709 -1.734) 3.833 4.141 ( -1.992 -1.150 3.206) 3.946 4.216 ( 0.293 0.169 0.558) 0.652 5.033 ( -2.727 -1.575 -0.802) 3.250 5.307 ( 1.493 0.862 -5.727) 5.981 5.594 ( -2.791 -1.612 -1.894) 3.738 5.823 ( 2.117 1.222 1.173) 2.712 6.263 ( 1.830 1.056 -6.061) 6.419 6.556 ( -3.087 -1.783 7.062) 7.911 6.585 ( 0.707 0.408 3.906) 3.991 6.771 ( 3.246 1.874 -4.234) 5.655 6.994 ( -3.152 -1.820 11.857) 12.403 7.615 ( -2.833 -1.636 -0.307) 3.286 7.814 ( -1.820 -1.051 -2.606) 3.348 8.146 ( 2.582 1.491 -1.807) 3.486 8.185 ( 0.044 0.025 2.426) 2.427 8.420 ( 3.833 2.213 -0.908) 4.519 9.106 ( 9.065 5.234 -20.422) 22.948 10.013 ( 1.997 1.153 18.498) 18.641 10.672 ( -0.210 -0.121 3.510) 3.519 15.149 ( 0.558 0.322 -0.214) 0.679 15.335 ( 5.436 3.139 -0.438) 6.293 16.060 ( 6.353 3.668 -12.868) 14.812 17.447 ( 1.163 0.671 5.604) 5.762 18.299 ( -4.151 -2.397 -7.437) 8.848 18.505 ( -1.579 -0.912 2.790) 3.333 ======================= Grid point 112 (18/80) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 13.377 7.723 -1.567) 15.526 1.371 ( 11.971 6.912 4.727) 14.609 2.008 ( -8.324 -4.806 2.717) 9.988 2.187 ( 1.118 0.645 0.615) 1.430 2.378 ( -3.692 -2.132 6.197) 7.522 2.523 ( -8.029 -4.635 1.713) 9.428 2.632 ( 6.175 3.565 13.847) 15.575 2.766 ( -1.572 -0.908 5.125) 5.437 2.908 ( -0.299 -0.173 -2.943) 2.963 3.841 ( -3.212 -1.854 -6.345) 7.349 3.897 ( -0.209 -0.120 -2.209) 2.222 4.118 ( 0.600 0.347 0.909) 1.143 4.251 ( 2.304 1.330 2.257) 3.489 4.949 ( -4.237 -2.446 -0.569) 4.925 5.300 ( -2.623 -1.514 -4.134) 5.125 5.516 ( -3.168 -1.829 1.885) 4.115 5.845 ( -0.314 -0.181 3.279) 3.299 6.350 ( 5.318 3.071 -5.663) 8.354 6.465 ( -3.613 -2.086 5.218) 6.680 6.617 ( 1.527 0.882 3.816) 4.204 6.842 ( 1.058 0.611 -3.434) 3.644 6.958 ( 0.529 0.305 6.885) 6.912 7.557 ( -2.121 -1.225 -0.868) 2.598 7.777 ( -1.303 -0.752 -3.978) 4.253 8.153 ( -1.788 -1.032 2.298) 3.089 8.219 ( 2.725 1.573 -2.032) 3.745 8.503 ( 3.238 1.869 -0.659) 3.796 9.308 ( 8.253 4.765 -14.838) 17.635 10.052 ( 1.248 0.721 14.844) 14.913 10.716 ( 3.308 1.910 -0.980) 3.944 15.151 ( -0.192 -0.111 0.080) 0.236 15.483 ( 7.211 4.164 -0.467) 8.340 16.120 ( -0.056 -0.032 -4.119) 4.119 17.509 ( 3.907 2.255 0.314) 4.522 18.181 ( -6.222 -3.592 -6.120) 9.438 18.475 ( -0.813 -0.469 2.500) 2.670 ======================= Grid point 113 (19/80) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.445 -0.834 1.710) 2.389 1.594 ( 8.834 5.100 -2.984) 10.628 1.874 ( -2.684 -1.549 7.836) 8.427 2.242 ( 1.933 1.116 -3.543) 4.187 2.342 ( -1.196 -0.691 8.799) 8.907 2.407 ( -0.597 -0.345 2.892) 2.973 2.518 ( -5.549 -3.204 5.749) 8.609 2.689 ( -6.203 -3.581 -0.647) 7.192 3.023 ( 2.463 1.422 7.471) 7.994 3.787 ( -1.629 -0.941 -7.858) 8.080 3.962 ( 4.600 2.656 -6.742) 8.583 4.182 ( 4.650 2.685 3.076) 6.188 4.330 ( 5.789 3.342 5.345) 8.559 4.858 ( -3.727 -2.152 0.126) 4.305 5.173 ( -8.043 -4.644 -2.050) 9.511 5.466 ( -1.300 -0.751 4.040) 4.310 5.837 ( 0.097 0.056 3.800) 3.802 6.396 ( -1.626 -0.939 1.511) 2.410 6.474 ( 3.986 2.301 -3.951) 6.066 6.641 ( 0.384 0.221 4.170) 4.193 6.808 ( -2.516 -1.452 -0.069) 2.906 7.006 ( 2.211 1.276 1.342) 2.884 7.534 ( 0.428 0.247 -1.177) 1.276 7.760 ( -0.167 -0.096 -4.037) 4.042 8.100 ( -2.620 -1.513 1.914) 3.580 8.273 ( 1.850 1.068 -1.773) 2.776 8.560 ( 1.724 0.995 -0.473) 2.046 9.462 ( 4.961 2.864 -11.698) 13.025 10.058 ( -0.884 -0.511 11.558) 11.603 10.797 ( 3.458 1.996 -2.194) 4.556 15.145 ( -0.263 -0.152 0.168) 0.347 15.643 ( 6.480 3.741 -0.562) 7.504 16.086 ( -2.467 -1.424 0.321) 2.866 17.607 ( 4.197 2.423 -4.858) 6.862 18.029 ( -6.596 -3.808 -3.414) 8.346 18.471 ( 0.402 0.232 2.313) 2.360 ======================= Grid point 114 (20/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.316 1.337 3.657) 4.530 1.743 ( 2.036 1.175 2.110) 3.159 1.819 ( -1.669 -0.963 -0.911) 2.131 2.167 ( -6.694 -3.865 0.029) 7.730 2.346 ( -3.924 -2.265 12.654) 13.440 2.399 ( 4.835 2.791 2.681) 6.193 2.543 ( 3.167 1.829 2.608) 4.492 2.584 ( -0.536 -0.310 -2.887) 2.953 3.006 ( -1.641 -0.947 5.566) 5.879 3.764 ( -0.361 -0.209 -7.943) 7.954 4.030 ( 1.131 0.653 -6.474) 6.604 4.257 ( 1.663 0.960 1.163) 2.246 4.494 ( 1.933 1.116 9.188) 9.456 4.781 ( -0.230 -0.133 0.883) 0.922 5.021 ( -2.637 -1.523 -1.415) 3.358 5.460 ( 0.947 0.547 4.503) 4.634 5.845 ( 0.197 0.114 3.847) 3.854 6.373 ( -0.543 -0.313 -0.837) 1.045 6.526 ( 0.819 0.473 -2.738) 2.896 6.626 ( -1.731 -0.999 3.496) 4.027 6.772 ( -0.536 -0.309 0.786) 1.000 7.029 ( -0.179 -0.103 -0.462) 0.506 7.576 ( 2.855 1.648 0.311) 3.311 7.773 ( 1.420 0.820 -4.205) 4.514 8.046 ( -1.981 -1.144 1.291) 2.627 8.302 ( 0.740 0.427 -1.010) 1.323 8.578 ( -0.151 -0.087 -0.510) 0.539 9.519 ( -0.206 -0.119 -11.665) 11.667 10.014 ( -2.787 -1.609 9.908) 10.417 10.859 ( 1.833 1.058 -1.544) 2.620 15.141 ( -0.102 -0.059 0.158) 0.197 15.742 ( 1.071 0.618 -0.518) 1.340 16.039 ( -0.563 -0.325 1.799) 1.913 17.655 ( -1.420 -0.820 -9.327) 9.470 17.933 ( -0.256 -0.148 -0.312) 0.430 18.490 ( 1.183 0.683 2.576) 2.916 ======================= Grid point 116 (21/80) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 10.788 6.229 -0.144) 12.458 1.612 ( -7.472 -4.314 5.630) 10.303 1.770 ( -8.544 -4.933 0.905) 9.908 2.084 ( 1.698 0.980 -3.355) 3.886 2.265 ( -3.085 -1.781 9.077) 9.752 2.474 ( 1.866 1.078 -2.076) 2.992 2.603 ( 4.594 2.652 11.441) 12.611 2.648 ( 1.993 1.151 0.886) 2.466 3.011 ( 1.978 1.142 1.251) 2.604 3.772 ( 1.096 0.633 -7.249) 7.359 4.010 ( -3.403 -1.964 -3.422) 5.210 4.268 ( -1.327 -0.766 3.246) 3.589 4.309 ( -9.654 -5.574 5.609) 12.479 4.882 ( 3.859 2.228 2.157) 4.951 5.096 ( 7.877 4.548 -3.663) 9.806 5.513 ( 3.664 2.116 4.420) 6.119 5.830 ( -1.629 -0.940 4.044) 4.459 6.358 ( -1.021 -0.589 -3.567) 3.757 6.547 ( 1.713 0.989 -0.210) 1.989 6.573 ( -2.726 -1.574 2.379) 3.945 6.761 ( -0.875 -0.505 1.451) 1.768 7.008 ( -1.389 -0.802 -0.469) 1.671 7.640 ( 2.453 1.416 2.195) 3.584 7.826 ( 3.157 1.823 -3.815) 5.277 8.018 ( -0.464 -0.268 0.327) 0.628 8.308 ( -0.143 -0.083 0.138) 0.215 8.553 ( -2.084 -1.203 -0.874) 2.560 9.448 ( -5.906 -3.410 -14.099) 15.662 9.943 ( -3.272 -1.889 10.025) 10.714 10.877 ( -0.308 -0.178 0.315) 0.475 15.140 ( 0.007 0.004 0.032) 0.033 15.674 ( -6.116 -3.531 0.289) 7.068 16.077 ( 2.968 1.713 0.157) 3.430 17.554 ( -5.855 -3.380 -6.398) 9.308 18.012 ( 5.701 3.292 -2.988) 7.230 18.519 ( 1.292 0.746 2.740) 3.120 ======================= Grid point 117 (22/80) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -14.526 -8.387 -0.907) 16.798 1.474 ( -15.552 -8.979 5.101) 18.668 1.967 ( 16.791 9.694 1.584) 19.453 2.135 ( 1.643 0.948 -1.854) 2.652 2.234 ( 1.107 0.639 8.617) 8.712 2.523 ( -7.546 -4.356 10.362) 13.538 2.579 ( 2.360 1.362 -2.629) 3.786 2.744 ( 5.803 3.350 8.752) 11.023 3.063 ( 2.347 1.355 -1.442) 3.070 3.816 ( 2.749 1.587 -4.490) 5.499 3.912 ( -2.059 -1.189 -2.550) 3.486 4.173 ( -1.699 -0.981 2.676) 3.318 4.262 ( -0.762 -0.440 2.274) 2.438 4.939 ( 1.871 1.080 0.945) 2.358 5.263 ( 5.474 3.160 -5.741) 8.539 5.611 ( 4.277 2.469 3.736) 6.192 5.780 ( -2.307 -1.332 2.594) 3.718 6.325 ( -1.783 -1.029 -5.119) 5.517 6.509 ( -2.661 -1.536 3.011) 4.302 6.614 ( 3.937 2.273 2.091) 5.004 6.729 ( -1.814 -1.047 1.296) 2.463 6.975 ( -1.382 -0.798 1.938) 2.510 7.683 ( 1.342 0.775 2.043) 2.565 7.903 ( 3.253 1.878 -1.279) 3.968 8.018 ( 0.342 0.198 -1.438) 1.491 8.293 ( -1.381 -0.798 1.625) 2.277 8.488 ( -3.420 -1.975 -1.417) 4.196 9.270 ( -9.179 -5.300 -18.286) 21.136 9.876 ( -2.275 -1.313 12.175) 12.455 10.849 ( -1.991 -1.149 2.977) 3.761 15.140 ( -0.024 -0.014 -0.239) 0.241 15.509 ( -7.749 -4.474 0.296) 8.952 16.129 ( 0.821 0.474 -3.997) 4.108 17.434 ( -4.205 -2.428 -1.698) 5.143 18.152 ( 6.253 3.610 -4.857) 8.702 18.544 ( 0.791 0.456 2.379) 2.548 ======================= Grid point 118 (23/80) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -18.010 -10.398 0.413) 20.800 1.099 ( -17.019 -9.826 9.801) 21.960 1.965 ( -19.563 -11.295 16.875) 28.197 2.193 ( -0.549 -0.317 10.581) 10.600 2.275 ( -0.867 -0.500 5.727) 5.814 2.465 ( 16.589 9.578 0.218) 19.157 2.741 ( 7.977 4.606 -8.027) 12.218 2.866 ( 4.732 2.732 7.031) 8.905 3.119 ( 2.550 1.473 -3.782) 4.794 3.896 ( 4.293 2.478 -0.177) 4.960 3.945 ( 3.149 1.818 -5.141) 6.297 4.162 ( 0.192 0.111 2.653) 2.662 4.259 ( 0.893 0.516 1.891) 2.154 4.980 ( 1.832 1.058 -0.598) 2.198 5.322 ( -0.342 -0.198 -6.827) 6.839 5.648 ( -1.467 -0.847 -0.115) 1.698 5.772 ( 1.713 0.989 0.991) 2.213 6.288 ( -1.198 -0.692 -5.368) 5.544 6.468 ( -0.612 -0.353 4.223) 4.282 6.677 ( -1.644 -0.949 -5.332) 5.660 6.718 ( 3.557 2.054 8.334) 9.291 6.962 ( 1.212 0.700 8.269) 8.387 7.704 ( 0.553 0.319 0.774) 1.004 7.950 ( 0.155 0.089 2.547) 2.554 8.037 ( 1.660 0.959 -4.054) 4.485 8.240 ( -3.177 -1.834 2.461) 4.417 8.407 ( -3.500 -2.021 -1.666) 4.372 9.060 ( -8.696 -5.021 -22.846) 24.956 9.858 ( 0.967 0.558 16.799) 16.836 10.800 ( -1.751 -1.011 6.318) 6.634 15.137 ( -0.368 -0.212 -0.600) 0.735 15.346 ( -6.172 -3.564 -0.119) 7.128 16.077 ( -6.515 -3.761 -12.957) 14.983 17.385 ( 0.283 0.164 4.781) 4.792 18.283 ( 5.042 2.911 -5.574) 8.060 18.553 ( -0.008 -0.005 1.608) 1.608 ======================= Grid point 119 (24/80) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -10.965 -6.331 14.844) 19.510 0.738 ( -13.359 -7.713 18.952) 24.436 1.394 ( -25.900 -14.953 33.980) 45.267 2.213 ( 0.649 0.375 6.350) 6.394 2.299 ( 1.385 0.799 3.703) 4.034 2.775 ( 9.278 5.356 -1.485) 10.815 2.901 ( 5.158 2.978 -5.027) 7.794 2.957 ( 3.455 1.995 3.861) 5.551 3.181 ( 3.080 1.778 -6.416) 7.336 3.986 ( 1.513 0.873 -4.365) 4.701 4.010 ( 4.184 2.415 4.386) 6.525 4.179 ( 1.790 1.033 3.544) 4.102 4.300 ( 2.141 1.236 0.315) 2.492 5.020 ( 1.472 0.850 -2.123) 2.720 5.240 ( -7.233 -4.176 -7.210) 11.034 5.603 ( -1.755 -1.013 -3.256) 3.835 5.795 ( -0.135 -0.078 0.899) 0.912 6.276 ( 0.164 0.095 -5.937) 5.940 6.488 ( 2.149 1.241 3.876) 4.603 6.620 ( -3.101 -1.790 -0.947) 3.703 6.762 ( -0.027 -0.015 0.313) 0.315 7.106 ( 12.071 6.969 14.508) 20.119 7.716 ( 0.875 0.505 -1.235) 1.596 7.916 ( -2.285 -1.319 1.623) 3.098 8.076 ( 1.118 0.646 -1.939) 2.329 8.171 ( -2.262 -1.306 2.277) 3.465 8.341 ( -2.092 -1.208 -1.741) 2.977 8.906 ( -4.344 -2.508 -25.352) 25.843 9.919 ( 3.832 2.212 22.458) 22.890 10.830 ( 6.928 4.000 10.493) 13.194 15.118 ( -1.169 -0.675 -0.844) 1.593 15.247 ( -2.466 -1.424 -0.634) 2.918 15.759 ( -23.320 -13.464 -21.941) 34.734 17.460 ( 6.146 3.548 9.076) 11.521 18.367 ( 2.059 1.189 -6.428) 6.854 18.548 ( -0.263 -0.152 1.483) 1.514 ======================= Grid point 121 (25/80) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 3.682 13.617 14.453) 20.196 0.880 ( 10.191 17.924 5.878) 21.440 1.902 ( 18.706 26.279 22.509) 39.334 2.181 ( -2.179 -1.765 6.288) 6.885 2.282 ( 0.196 -0.065 4.113) 4.119 2.602 ( -4.938 -13.781 0.122) 14.640 2.748 ( -6.638 -9.433 -1.427) 11.623 2.944 ( 0.865 -4.577 -0.587) 4.694 3.086 ( -6.868 -2.716 -3.257) 8.072 3.932 ( -1.667 -4.819 -1.142) 5.226 3.965 ( -1.395 -2.471 -3.149) 4.239 4.161 ( -1.005 -0.535 3.846) 4.011 4.233 ( -3.074 -1.301 0.348) 3.356 5.024 ( 1.353 -2.506 -0.917) 2.992 5.307 ( 0.587 2.692 -7.003) 7.526 5.632 ( -0.499 2.136 -2.039) 2.995 5.790 ( 0.946 -1.228 0.771) 1.732 6.266 ( -0.584 1.270 -5.541) 5.715 6.502 ( 2.600 -2.358 4.845) 5.983 6.644 ( -1.771 2.531 1.879) 3.615 6.740 ( 0.305 -1.452 -0.710) 1.645 6.999 ( -0.502 -4.403 12.404) 13.172 7.664 ( -4.189 -0.847 0.490) 4.301 7.894 ( -4.570 3.642 -0.805) 5.899 8.082 ( 3.092 -2.475 -2.190) 4.526 8.207 ( 0.016 3.220 2.540) 4.101 8.392 ( 2.332 3.053 -1.325) 4.064 9.028 ( 6.274 7.078 -22.512) 24.418 9.936 ( 5.313 -2.585 18.443) 19.366 10.734 ( -4.930 1.438 6.642) 8.396 15.169 ( 2.493 2.974 -0.708) 3.945 15.275 ( 0.816 2.460 -0.207) 2.600 16.022 ( 5.084 10.122 -15.924) 19.542 17.416 ( 1.359 -2.248 6.588) 7.093 18.320 ( -1.689 -3.971 -6.367) 7.692 18.532 ( -1.928 0.079 1.927) 2.727 ======================= Grid point 122 (26/80) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 14.242 7.906 7.772) 18.048 1.243 ( 11.921 12.533 1.837) 17.394 2.095 ( -5.945 -3.654 2.677) 7.474 2.172 ( 0.132 -0.598 3.050) 3.110 2.371 ( -2.548 -11.064 1.351) 11.434 2.514 ( -0.271 -0.090 8.560) 8.564 2.583 ( 8.627 8.273 11.144) 16.341 2.851 ( -7.396 -2.718 -1.165) 7.965 2.954 ( -4.007 -1.859 -0.342) 4.431 3.855 ( -2.073 -4.022 -4.293) 6.237 3.918 ( -1.639 -0.631 -2.846) 3.345 4.118 ( -1.685 -0.907 1.519) 2.443 4.223 ( 1.547 0.178 1.343) 2.057 4.992 ( -2.512 -1.884 -0.094) 3.142 5.314 ( -0.700 -0.947 -5.685) 5.806 5.599 ( -4.983 2.651 0.849) 5.708 5.816 ( 2.747 -2.039 2.791) 4.415 6.301 ( 2.659 2.028 -5.144) 6.135 6.490 ( -1.310 -2.317 4.680) 5.384 6.616 ( -1.151 0.938 5.207) 5.414 6.788 ( 4.139 -0.870 -4.388) 6.095 6.981 ( -0.412 1.495 7.888) 8.039 7.583 ( -3.349 -1.746 0.436) 3.801 7.848 ( -4.880 3.471 -4.104) 7.260 8.123 ( 4.013 -2.639 -0.650) 4.847 8.229 ( -1.243 3.667 1.221) 4.060 8.462 ( 3.007 1.359 -0.987) 3.444 9.225 ( 7.987 7.055 -16.403) 19.561 10.015 ( 4.496 0.161 14.868) 15.534 10.705 ( -0.899 2.229 1.103) 2.644 15.211 ( -2.843 5.727 -0.101) 6.395 15.365 ( 8.178 0.335 -0.311) 8.190 16.119 ( 0.650 1.501 -6.268) 6.478 17.457 ( 3.664 0.838 0.885) 3.862 18.236 ( -3.643 -3.822 -5.529) 7.645 18.493 ( -2.074 -0.403 2.230) 3.072 ======================= Grid point 123 (27/80) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 9.955 1.618 4.054) 10.870 1.484 ( 6.522 6.043 -0.913) 8.938 1.910 ( -6.579 -6.169 4.758) 10.197 2.172 ( 2.088 -4.325 -1.540) 5.043 2.278 ( 2.251 -5.748 4.191) 7.462 2.413 ( -0.541 -2.295 5.446) 5.935 2.629 ( -9.171 -2.239 4.099) 10.292 2.780 ( -5.001 -0.727 2.770) 5.763 3.010 ( 4.551 6.904 5.663) 10.022 3.792 ( -1.342 -2.521 -6.036) 6.677 3.934 ( 2.062 3.553 -4.554) 6.133 4.127 ( 3.135 0.772 1.736) 3.666 4.273 ( 4.003 1.779 3.511) 5.614 4.919 ( -4.211 -0.399 0.156) 4.233 5.246 ( -4.967 -3.951 -3.447) 7.223 5.547 ( -5.128 4.598 3.232) 7.608 5.827 ( 1.052 -1.328 4.115) 4.450 6.354 ( 2.208 -3.225 -0.792) 3.988 6.473 ( 0.824 3.137 -0.723) 3.323 6.621 ( 0.662 -0.553 3.866) 3.961 6.806 ( 0.341 -3.209 -1.609) 3.606 7.021 ( 0.736 5.288 3.288) 6.270 7.528 ( -0.871 -1.688 -0.272) 1.919 7.805 ( -3.573 2.882 -4.998) 6.787 8.145 ( -0.466 0.215 2.089) 2.151 8.245 ( 0.438 1.368 -1.964) 2.433 8.517 ( 3.152 -0.790 -0.539) 3.294 9.417 ( 6.145 6.642 -11.695) 14.787 10.066 ( 0.531 0.814 12.302) 12.340 10.735 ( 3.145 -0.625 -2.259) 3.922 15.207 ( -3.737 5.517 0.181) 6.666 15.529 ( 9.563 0.905 -0.389) 9.613 16.100 ( -1.796 -2.431 -0.527) 3.069 17.539 ( 4.551 0.648 -5.046) 6.826 18.124 ( -6.053 -1.732 -2.657) 6.834 18.465 ( -0.397 -0.695 1.948) 2.107 ======================= Grid point 124 (28/80) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -1.760 -0.884 3.161) 3.724 1.642 ( 6.332 -1.391 -2.548) 6.966 1.831 ( 1.514 -2.101 6.038) 6.570 2.109 ( 0.201 -10.084 1.925) 10.268 2.331 ( 3.853 -1.686 6.221) 7.510 2.417 ( -1.487 0.518 4.229) 4.512 2.510 ( -0.546 2.531 2.786) 3.803 2.673 ( -5.756 1.593 -0.976) 6.051 3.041 ( -2.755 -0.619 5.244) 5.956 3.762 ( -0.168 -1.041 -6.530) 6.615 4.003 ( 2.416 0.640 -6.988) 7.422 4.192 ( 3.767 -2.238 0.884) 4.470 4.450 ( 8.668 9.621 7.846) 15.141 4.840 ( -5.553 -0.206 0.715) 5.602 5.090 ( -6.814 -3.268 -1.024) 7.626 5.518 ( -3.759 5.433 4.367) 7.919 5.840 ( 0.822 0.365 3.787) 3.893 6.335 ( 1.483 -4.712 0.050) 4.940 6.535 ( 0.980 2.867 -2.384) 3.855 6.614 ( 0.282 -2.414 3.101) 3.939 6.771 ( -0.640 -1.867 -0.283) 1.993 7.072 ( -1.402 4.902 0.577) 5.131 7.528 ( 2.526 -1.158 0.160) 2.784 7.790 ( -1.347 3.019 -5.064) 6.047 8.116 ( -4.345 3.124 1.832) 5.656 8.270 ( 2.262 -1.119 -1.877) 3.145 8.549 ( 2.135 -2.227 -0.379) 3.108 9.544 ( 1.032 5.519 -10.092) 11.548 10.048 ( -2.472 -0.455 10.452) 10.750 10.787 ( 4.719 -3.210 -2.876) 6.391 15.198 ( -3.453 5.386 0.250) 6.403 15.682 ( 6.547 0.458 -0.634) 6.594 16.031 ( -1.436 -4.381 2.286) 5.146 17.605 ( 3.467 -2.326 -10.806) 11.585 18.017 ( -5.921 2.582 1.301) 6.589 18.467 ( 1.294 -0.722 2.006) 2.494 ======================= Grid point 125 (29/80) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.504 3.559 3.808) 9.136 1.628 ( -0.539 -9.505 0.364) 9.527 1.828 ( -5.157 -1.835 2.119) 5.869 2.037 ( 3.688 -5.008 0.270) 6.225 2.287 ( -2.122 -3.182 10.660) 11.325 2.445 ( 0.622 0.495 -1.055) 1.320 2.556 ( 2.650 1.674 6.456) 7.176 2.689 ( 1.185 8.059 -1.226) 8.237 2.988 ( -0.555 -1.639 2.699) 3.206 3.764 ( 0.663 0.453 -6.514) 6.563 4.023 ( 0.192 -1.311 -4.423) 4.617 4.215 ( 3.087 -4.376 0.802) 5.415 4.477 ( -13.348 -2.534 7.798) 15.666 4.842 ( 5.334 5.182 1.626) 7.612 5.049 ( 2.355 3.746 -1.951) 4.836 5.536 ( -0.920 6.491 4.572) 7.993 5.842 ( -0.948 -0.639 4.003) 4.163 6.325 ( 2.334 -4.021 -1.531) 4.895 6.549 ( -0.930 0.966 -0.586) 1.463 6.592 ( -0.475 -1.301 1.424) 1.986 6.753 ( 0.047 -1.388 0.178) 1.400 7.066 ( -3.700 3.193 -0.249) 4.894 7.574 ( 4.026 -1.944 1.718) 4.790 7.823 ( 1.094 4.137 -4.915) 6.517 8.072 ( -4.164 2.876 0.678) 5.106 8.297 ( 1.507 -0.187 -0.435) 1.580 8.542 ( 0.437 -3.590 -0.705) 3.684 9.541 ( -5.841 1.794 -11.164) 12.727 9.995 ( -3.179 0.307 9.716) 10.227 10.822 ( 3.739 -4.519 -1.654) 6.094 15.196 ( -3.163 5.509 0.183) 6.355 15.701 ( -2.357 -4.927 -0.179) 5.465 16.021 ( 4.097 -1.185 2.130) 4.768 17.587 ( -1.757 -4.247 -11.254) 12.156 18.005 ( -0.149 5.656 1.155) 5.775 18.490 ( 2.047 -0.771 2.323) 3.191 ======================= Grid point 126 (30/80) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -7.274 -11.284 2.043) 13.580 1.584 ( -11.563 -8.779 3.927) 15.039 1.776 ( 14.872 9.256 0.764) 17.534 2.113 ( 4.263 0.475 -1.829) 4.663 2.235 ( -1.228 -1.408 8.819) 9.015 2.452 ( 3.956 -2.071 -0.730) 4.524 2.643 ( 1.521 3.519 8.032) 8.900 2.775 ( -1.529 7.827 4.062) 8.949 2.992 ( 2.865 -3.067 -0.066) 4.197 3.791 ( 1.612 1.081 -5.276) 5.621 3.965 ( -4.906 -2.002 -2.059) 5.685 4.214 ( 1.491 -5.397 1.008) 5.689 4.231 ( -6.938 -1.148 4.776) 8.501 4.938 ( 1.478 2.893 2.017) 3.824 5.193 ( 6.661 4.599 -4.958) 9.492 5.610 ( 1.481 7.013 4.215) 8.315 5.793 ( -2.211 -3.197 3.826) 5.454 6.324 ( 0.649 -2.156 -3.395) 4.074 6.525 ( -1.318 -2.018 1.672) 2.934 6.597 ( 0.912 2.508 2.090) 3.389 6.736 ( -0.555 -1.272 -0.765) 1.585 7.022 ( -3.792 1.567 1.250) 4.289 7.615 ( 3.775 -3.233 2.218) 5.443 7.901 ( 2.454 4.794 -3.937) 6.671 8.032 ( -2.541 0.437 -0.351) 2.602 8.311 ( -0.723 0.949 1.366) 1.814 8.499 ( -0.863 -3.827 -1.500) 4.200 9.398 ( -9.958 -1.756 -13.851) 17.149 9.948 ( -4.169 2.794 10.222) 11.387 10.822 ( 1.574 -4.794 0.589) 5.080 15.198 ( -3.135 5.744 -0.056) 6.544 15.556 ( -5.559 -8.312 0.376) 10.007 16.097 ( 3.756 0.564 -0.565) 3.840 17.494 ( -4.551 -2.022 -6.263) 8.002 18.098 ( 4.250 4.544 -2.469) 6.694 18.516 ( 1.967 -1.134 2.336) 3.258 ======================= Grid point 127 (31/80) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -12.865 -11.038 6.301) 18.085 1.250 ( -17.564 -6.369 3.355) 18.982 2.104 ( 5.461 3.169 2.929) 6.960 2.171 ( 3.537 0.763 1.889) 4.082 2.272 ( 9.816 4.597 3.820) 11.493 2.495 ( -19.494 2.396 13.035) 23.572 2.572 ( 9.335 -2.146 0.430) 9.588 2.847 ( 3.115 4.850 3.028) 6.511 3.028 ( 5.721 -4.202 -1.198) 7.199 3.842 ( 3.671 0.985 -3.053) 4.876 3.917 ( 1.010 0.952 -3.884) 4.125 4.161 ( -0.060 -1.646 3.371) 3.752 4.217 ( 1.392 -1.811 0.597) 2.361 4.980 ( 1.005 2.213 0.543) 2.490 5.306 ( 2.713 1.169 -6.480) 7.122 5.678 ( -1.405 1.045 1.797) 2.509 5.745 ( 1.391 0.239 2.514) 2.883 6.300 ( -1.458 -0.994 -4.773) 5.089 6.488 ( -0.926 -0.370 3.394) 3.537 6.651 ( 2.983 -0.394 6.556) 7.213 6.716 ( -1.416 1.770 -3.940) 4.546 6.980 ( -2.036 0.792 5.184) 5.626 7.643 ( 3.505 -3.555 1.669) 5.264 7.956 ( -0.433 -1.907 -1.479) 2.452 8.019 ( 1.126 3.402 -2.541) 4.393 8.277 ( -2.977 -1.261 2.596) 4.147 8.448 ( -2.320 -1.102 -1.779) 3.124 9.200 ( -10.773 -1.305 -18.096) 21.100 9.916 ( -3.570 4.844 13.255) 14.557 10.784 ( -0.311 -4.828 3.302) 5.857 15.199 ( -3.472 5.447 -0.444) 6.475 15.383 ( -4.840 -7.577 0.166) 8.992 16.127 ( -1.159 -0.421 -6.201) 6.322 17.418 ( -3.152 0.846 -0.008) 3.263 18.219 ( 5.378 2.664 -4.766) 7.664 18.531 ( 1.412 -1.681 1.977) 2.954 ======================= Grid point 132 (32/80) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.955 8.702 6.040) 11.307 1.484 ( 4.276 11.590 2.231) 12.554 1.928 ( -4.443 -15.227 0.144) 15.863 2.106 ( -1.678 -4.968 -1.422) 5.433 2.219 ( 0.026 -0.960 7.680) 7.740 2.416 ( -2.663 -2.199 3.152) 4.676 2.709 ( -0.336 -2.087 5.530) 5.920 2.838 ( -4.617 -2.777 1.779) 5.674 2.971 ( 5.674 4.125 3.381) 7.787 3.797 ( -1.440 -1.551 -3.724) 4.283 3.944 ( 1.290 3.241 -2.989) 4.593 4.122 ( -2.231 1.353 0.353) 2.633 4.235 ( 2.948 2.777 3.273) 5.207 4.965 ( -1.407 -1.212 1.184) 2.202 5.256 ( -1.248 -5.051 -5.041) 7.244 5.686 ( -3.949 5.054 2.360) 6.834 5.756 ( 4.184 -3.098 5.067) 7.265 6.305 ( -0.081 -1.782 -1.833) 2.557 6.492 ( -0.294 2.055 0.552) 2.148 6.621 ( -0.481 -0.354 4.684) 4.722 6.750 ( 2.112 -2.004 -3.753) 4.750 7.045 ( 2.636 4.259 3.434) 6.073 7.550 ( -3.923 -1.578 1.368) 4.444 7.912 ( -4.348 1.979 -5.608) 7.367 8.075 ( 5.161 -1.188 0.094) 5.297 8.311 ( -1.276 4.088 1.371) 4.496 8.458 ( 0.838 -1.616 -1.506) 2.363 9.386 ( 6.159 9.207 -11.831) 16.208 10.029 ( 5.130 0.923 11.014) 12.185 10.731 ( -3.451 0.143 -0.939) 3.579 15.339 ( 5.821 3.354 -0.496) 6.736 15.382 ( -1.491 5.196 0.615) 5.441 16.103 ( -1.759 -3.164 -0.646) 3.677 17.487 ( 2.727 2.085 -6.491) 7.343 18.160 ( -0.881 -3.633 -1.437) 4.005 18.483 ( -2.442 -0.760 1.685) 3.063 ======================= Grid point 133 (33/80) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.223 -0.574 2.972) 4.422 1.576 ( -1.037 -1.616 -0.795) 2.078 1.760 ( 0.660 -3.817 5.267) 6.539 2.045 ( 0.055 -4.985 3.445) 6.059 2.242 ( 3.076 -0.842 5.036) 5.961 2.408 ( 0.762 0.641 4.521) 4.629 2.620 ( -6.205 1.107 1.490) 6.477 2.744 ( -2.501 -1.109 0.990) 2.910 3.046 ( 0.843 -3.226 2.256) 4.026 3.765 ( -1.106 0.001 -3.560) 3.727 3.976 ( 0.652 -0.152 -4.754) 4.801 4.123 ( 1.310 -1.820 -0.656) 2.336 4.414 ( 8.322 13.303 6.223) 16.881 4.921 ( -3.082 0.046 0.834) 3.194 5.149 ( -4.775 -5.926 -1.480) 7.753 5.656 ( -4.822 4.806 4.786) 8.322 5.815 ( 3.243 1.386 3.442) 4.928 6.258 ( 0.013 -6.362 0.667) 6.397 6.530 ( 1.700 2.138 -1.185) 2.977 6.607 ( -0.879 -0.673 2.228) 2.488 6.752 ( 0.664 -1.671 -2.260) 2.888 7.137 ( 1.300 6.045 1.299) 6.318 7.489 ( -0.772 -2.431 0.980) 2.732 7.868 ( -3.311 3.064 -5.959) 7.474 8.157 ( 4.341 1.252 0.689) 4.570 8.288 ( -5.444 2.882 -1.202) 6.276 8.467 ( 3.517 -4.127 -0.145) 5.424 9.569 ( 4.297 8.307 -7.867) 12.221 10.080 ( -0.178 0.481 10.599) 10.611 10.685 ( 0.898 -4.178 -4.540) 6.235 15.353 ( -5.880 8.803 0.309) 10.590 15.535 ( 10.520 0.194 -0.165) 10.523 16.012 ( -2.895 -6.528 2.699) 7.634 17.538 ( 2.221 -0.453 -13.134) 13.328 18.118 ( -2.534 0.945 3.755) 4.628 18.445 ( -0.483 -1.327 0.939) 1.696 ======================= Grid point 134 (34/80) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 1.920 -0.010 2.639) 3.263 1.511 ( 2.200 -9.060 -0.796) 9.357 1.829 ( 4.538 -0.056 6.199) 7.683 1.981 ( -3.741 -1.589 3.348) 5.266 2.259 ( 1.734 -4.312 8.930) 10.067 2.431 ( 1.248 -0.392 2.916) 3.196 2.572 ( -1.986 4.040 0.605) 4.543 2.748 ( 0.207 5.016 -1.873) 5.358 2.983 ( -1.535 -4.663 2.171) 5.368 3.763 ( 0.001 1.076 -4.082) 4.222 3.984 ( 1.791 -2.134 -4.001) 4.875 4.124 ( 2.247 -3.613 -0.306) 4.266 4.649 ( -1.852 8.048 6.423) 10.462 4.842 ( -2.785 1.370 0.175) 3.109 5.049 ( 0.130 -1.482 0.539) 1.582 5.638 ( -2.762 5.362 5.515) 8.173 5.863 ( -1.006 2.464 2.864) 3.910 6.214 ( 3.609 -7.237 0.516) 8.103 6.572 ( 1.148 -0.024 0.352) 1.201 6.579 ( -1.258 0.114 0.070) 1.265 6.745 ( -0.186 -0.654 -2.006) 2.118 7.176 ( -3.603 5.164 -0.191) 6.300 7.483 ( 3.293 -3.217 1.699) 4.907 7.865 ( -1.064 3.904 -5.671) 6.967 8.196 ( -6.607 2.606 -0.173) 7.105 8.255 ( 3.999 1.807 -0.736) 4.450 8.475 ( 2.242 -5.175 -0.125) 5.641 9.657 ( -2.817 4.977 -7.064) 9.089 10.053 ( -2.682 1.419 10.129) 10.574 10.685 ( 4.885 -6.295 -5.103) 9.462 15.343 ( -5.352 8.879 0.336) 10.373 15.662 ( 2.701 -2.906 -0.924) 4.074 15.924 ( 2.570 -5.585 4.552) 7.650 17.552 ( 0.991 -2.291 -16.267) 16.457 18.094 ( -3.020 4.154 6.153) 8.015 18.443 ( 1.711 -1.612 0.868) 2.506 ======================= Grid point 136 (35/80) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.577 -6.257 2.765) 7.020 1.566 ( 9.310 2.134 -0.399) 9.560 1.764 ( -6.476 -2.637 5.695) 9.018 2.004 ( 5.694 0.734 1.071) 5.840 2.235 ( -0.736 -1.777 8.615) 8.827 2.423 ( -0.692 -1.645 2.540) 3.104 2.628 ( 3.017 4.092 2.815) 5.811 2.792 ( 1.926 -0.633 -0.111) 2.030 2.972 ( 1.191 2.639 0.796) 3.003 3.778 ( 0.755 0.353 -3.946) 4.033 3.987 ( 0.367 -1.773 -2.208) 2.855 4.131 ( 2.243 -3.001 -1.283) 3.960 4.428 ( -16.760 -1.829 6.216) 17.969 4.926 ( 2.727 2.347 1.553) 3.918 5.127 ( 6.390 3.208 -2.172) 7.473 5.672 ( 0.137 5.687 5.294) 7.771 5.812 ( -4.356 -2.289 3.372) 5.965 6.249 ( 5.248 -2.516 -0.274) 5.826 6.538 ( -1.960 -1.077 -0.191) 2.244 6.603 ( 0.871 1.104 1.492) 2.050 6.734 ( -0.311 -0.089 -2.356) 2.378 7.127 ( -5.808 2.463 0.634) 6.341 7.518 ( 3.837 -3.012 1.903) 5.236 7.902 ( 1.214 2.218 -5.635) 6.177 8.107 ( -4.989 0.915 -0.361) 5.085 8.337 ( 0.741 4.067 0.872) 4.224 8.444 ( 1.449 -5.619 -1.185) 5.922 9.566 ( -9.783 0.623 -8.484) 12.964 10.040 ( -2.309 3.593 9.630) 10.534 10.714 ( 4.702 -5.081 -3.328) 7.682 15.345 ( -4.967 9.109 0.106) 10.376 15.553 ( -4.972 -9.528 0.285) 10.751 16.006 ( 7.192 -0.194 2.585) 7.645 17.529 ( -1.463 -1.283 -13.373) 13.513 18.105 ( -0.065 3.605 3.448) 4.989 18.463 ( 2.303 -1.633 1.323) 3.118 ======================= Grid point 144 (36/80) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.808 0.231 1.278) 1.530 1.430 ( -2.221 -6.294 0.338) 6.683 1.799 ( -0.489 1.543 7.541) 7.713 2.011 ( 2.438 1.608 4.036) 4.982 2.202 ( -1.672 -2.728 7.539) 8.190 2.417 ( -0.177 0.140 5.413) 5.417 2.635 ( 0.592 0.501 -2.872) 2.975 2.784 ( -0.289 3.453 -1.384) 3.732 2.942 ( -0.586 -5.024 1.809) 5.372 3.778 ( 0.114 0.715 -2.883) 2.972 3.951 ( -0.906 -1.356 -2.938) 3.361 4.084 ( -0.776 -1.354 -0.807) 1.757 4.704 ( 6.814 13.541 4.132) 15.712 4.900 ( -0.861 -3.137 0.248) 3.263 5.022 ( -3.321 -5.766 2.183) 7.003 5.691 ( -0.066 -0.063 6.820) 6.821 5.912 ( 3.442 6.614 1.325) 7.573 6.115 ( -3.773 -7.188 1.471) 8.250 6.562 ( 0.629 1.344 -0.109) 1.488 6.590 ( -0.495 -1.100 0.758) 1.425 6.742 ( 0.259 0.173 -3.330) 3.345 7.244 ( 2.797 4.211 -1.077) 5.169 7.432 ( -2.242 -2.908 2.566) 4.480 7.907 ( 0.008 0.719 -5.693) 5.738 8.207 ( 3.499 3.665 -1.974) 5.438 8.327 ( -3.469 -0.886 -1.062) 3.734 8.383 ( 0.509 -2.332 1.637) 2.894 9.707 ( 2.568 4.521 -4.663) 6.984 10.088 ( 0.914 0.454 10.669) 10.718 10.600 ( -2.379 -3.334 -7.634) 8.663 15.496 ( 2.298 2.905 0.463) 3.733 15.571 ( 1.910 4.898 -1.122) 5.375 15.864 ( -3.811 -7.055 5.408) 9.672 17.530 ( -0.088 -0.285 -17.955) 17.957 18.145 ( 0.945 1.229 8.514) 8.654 18.419 ( -0.895 -1.085 -0.471) 1.483 ======================= Grid point 218 (37/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.000 22.366) 22.366 1.143 ( 0.000 0.000 25.681) 25.681 1.870 ( 0.000 -0.000 34.440) 34.440 2.259 ( 0.000 0.000 -9.039) 9.039 2.461 ( 0.000 -0.000 15.454) 15.454 2.678 ( 0.000 -0.000 -10.328) 10.328 3.008 ( 0.000 0.000 0.782) 0.782 3.109 ( 0.000 0.000 -4.190) 4.190 3.123 ( 0.000 0.000 11.598) 11.598 3.932 ( 0.000 -0.000 -2.307) 2.307 4.146 ( 0.000 -0.000 -7.215) 7.215 4.243 ( 0.000 0.000 4.346) 4.346 4.300 ( 0.000 -0.000 -0.124) 0.124 4.795 ( 0.000 -0.000 -16.426) 16.426 5.144 ( 0.000 -0.000 2.855) 2.855 5.637 ( 0.000 -0.000 8.330) 8.330 5.807 ( 0.000 -0.000 -0.258) 0.258 6.179 ( 0.000 0.000 -3.675) 3.675 6.398 ( 0.000 -0.000 -9.280) 9.280 6.689 ( 0.000 0.000 5.070) 5.070 6.763 ( 0.000 -0.000 1.517) 1.517 7.369 ( -0.000 0.000 2.526) 2.526 7.628 ( 0.000 0.000 -5.545) 5.545 7.819 ( 0.000 0.000 -7.011) 7.011 8.081 ( 0.000 0.000 0.632) 0.632 8.180 ( 0.000 -0.000 1.160) 1.160 8.255 ( 0.000 0.000 -3.451) 3.451 8.415 ( 0.000 -0.000 -14.778) 14.778 10.405 ( 0.000 0.000 17.550) 17.550 11.019 ( 0.000 0.000 -3.499) 3.499 15.098 ( 0.000 0.000 -0.257) 0.257 15.149 ( 0.000 -0.000 -1.674) 1.674 15.328 ( 0.000 -0.000 1.856) 1.856 17.688 ( 0.000 -0.000 6.840) 6.840 18.229 ( 0.000 0.000 -8.047) 8.047 18.574 ( 0.000 -0.000 0.724) 0.724 ======================= Grid point 219 (38/80) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.016 0.009 23.646) 23.646 1.128 ( 2.906 1.678 22.177) 22.429 2.105 ( 15.777 9.109 22.979) 29.325 2.230 ( -1.846 -1.066 -8.416) 8.682 2.442 ( -1.670 -0.964 13.922) 14.055 2.671 ( -0.234 -0.135 -2.665) 2.679 2.930 ( -6.229 -3.596 1.269) 7.304 2.990 ( -7.830 -4.520 -2.027) 9.265 3.144 ( -0.243 -0.140 8.421) 8.426 3.907 ( -2.207 -1.274 -2.688) 3.704 4.135 ( -3.793 -2.190 -4.209) 6.074 4.159 ( -2.638 -1.523 3.355) 4.531 4.261 ( -3.339 -1.927 0.222) 3.861 4.841 ( 2.865 1.654 -16.803) 17.126 5.178 ( 2.265 1.307 0.608) 2.685 5.658 ( 1.422 0.821 8.194) 8.357 5.801 ( -0.223 -0.129 -0.111) 0.280 6.149 ( -1.556 -0.899 -4.326) 4.685 6.445 ( 3.464 2.000 -9.442) 10.255 6.688 ( 0.477 0.275 5.787) 5.813 6.775 ( 0.097 0.056 2.117) 2.120 7.312 ( -4.195 -2.422 5.299) 7.180 7.627 ( -0.177 -0.102 -3.345) 3.351 7.837 ( -0.682 -0.394 -4.002) 4.079 8.070 ( -0.065 -0.038 -1.193) 1.195 8.209 ( 2.114 1.221 1.624) 2.932 8.303 ( 4.144 2.392 -2.814) 5.551 8.457 ( 4.863 2.807 -16.685) 17.605 10.384 ( -1.245 -0.719 16.742) 16.804 10.895 ( -8.474 -4.892 0.726) 9.812 15.113 ( 1.670 0.964 -0.023) 1.929 15.220 ( 3.554 2.052 -2.110) 4.615 15.509 ( 14.345 8.282 -4.450) 17.151 17.642 ( -3.334 -1.925 7.499) 8.430 18.199 ( -2.589 -1.495 -8.551) 9.058 18.572 ( -0.286 -0.165 1.068) 1.118 ======================= Grid point 220 (39/80) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 7.706 4.449 16.296) 18.567 1.291 ( 10.120 5.843 14.706) 18.784 2.114 ( -5.725 -3.305 -7.376) 9.905 2.330 ( -1.911 -1.103 -1.481) 2.657 2.496 ( 4.066 2.348 11.722) 12.627 2.699 ( 0.305 0.176 9.889) 9.895 2.748 ( -6.265 -3.617 1.726) 7.437 2.852 ( 0.488 0.282 3.332) 3.379 3.105 ( -3.203 -1.849 10.610) 11.236 3.839 ( -3.601 -2.079 -3.331) 5.327 3.987 ( -6.662 -3.846 4.116) 8.725 4.142 ( -1.482 -0.856 -2.528) 3.052 4.206 ( -0.001 -0.001 -0.919) 0.919 4.884 ( 0.606 0.350 -13.710) 13.728 5.213 ( 0.590 0.341 -2.315) 2.413 5.666 ( -1.104 -0.637 7.509) 7.617 5.834 ( 3.071 1.773 0.476) 3.577 6.146 ( 1.597 0.922 -4.663) 5.015 6.528 ( 3.611 2.085 -8.510) 9.477 6.684 ( -2.187 -1.263 5.428) 5.986 6.773 ( 0.850 0.491 3.531) 3.665 7.208 ( -4.451 -2.570 7.790) 9.333 7.618 ( -0.873 -0.504 0.388) 1.080 7.769 ( -4.087 -2.359 -2.141) 5.182 8.098 ( 2.306 1.331 -2.628) 3.741 8.234 ( -0.241 -0.139 2.242) 2.259 8.401 ( 4.049 2.338 -0.740) 4.734 8.674 ( 13.091 7.558 -18.826) 24.144 10.357 ( -1.288 -0.744 13.823) 13.903 10.742 ( -3.968 -2.291 1.929) 4.971 15.145 ( 0.798 0.461 -0.049) 0.923 15.324 ( 5.981 3.453 -0.620) 6.934 15.829 ( 11.978 6.916 -7.838) 15.898 17.563 ( -3.273 -1.890 5.378) 6.573 18.124 ( -3.699 -2.136 -8.408) 9.430 18.557 ( -0.986 -0.569 1.833) 2.158 ======================= Grid point 221 (40/80) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 9.524 5.499 7.622) 13.381 1.513 ( 7.057 4.074 7.746) 11.243 1.995 ( -2.913 -1.682 -3.424) 4.800 2.257 ( -3.648 -2.106 1.288) 4.405 2.465 ( -3.874 -2.237 5.871) 7.381 2.545 ( -4.859 -2.805 1.323) 5.764 2.666 ( -4.348 -2.511 -5.791) 7.665 2.996 ( -5.916 -3.415 13.183) 14.848 3.086 ( 10.585 6.111 13.201) 17.991 3.736 ( -5.742 -3.315 -3.210) 7.366 3.868 ( -3.204 -1.850 -0.020) 3.700 4.141 ( 1.414 0.817 0.588) 1.736 4.260 ( 5.660 3.268 0.224) 6.539 4.874 ( -1.003 -0.579 -7.136) 7.229 5.199 ( -2.197 -1.269 -4.240) 4.942 5.629 ( -1.749 -1.010 7.663) 7.925 5.889 ( 1.244 0.718 1.123) 1.824 6.231 ( 5.630 3.250 -5.100) 8.262 6.590 ( -4.851 -2.801 5.344) 7.742 6.606 ( 2.881 1.663 -5.342) 6.293 6.807 ( 1.021 0.590 2.155) 2.456 7.129 ( -2.136 -1.233 7.565) 7.957 7.571 ( -3.097 -1.788 1.839) 4.021 7.702 ( -1.447 -0.836 -3.028) 3.458 8.157 ( 2.212 1.277 -2.419) 3.518 8.204 ( -1.816 -1.048 1.582) 2.626 8.487 ( 3.423 1.976 -0.896) 4.052 8.975 ( 12.341 7.125 -15.434) 21.006 10.319 ( -2.089 -1.206 9.961) 10.249 10.716 ( 1.070 0.618 0.525) 1.343 15.152 ( -0.023 -0.013 0.017) 0.031 15.480 ( 7.361 4.250 0.174) 8.502 16.028 ( 5.645 3.259 -3.902) 7.597 17.499 ( -2.367 -1.366 -1.106) 2.948 18.039 ( -3.716 -2.145 -6.121) 7.475 18.534 ( -0.819 -0.473 2.411) 2.590 ======================= Grid point 222 (41/80) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.533 0.308 6.929) 6.956 1.565 ( 4.125 2.382 -0.271) 4.771 2.007 ( 0.475 0.274 3.722) 3.762 2.189 ( -1.591 -0.918 -1.365) 2.288 2.404 ( 0.152 0.088 -0.315) 0.361 2.488 ( -2.197 -1.268 4.161) 4.873 2.603 ( 0.351 0.203 0.163) 0.437 2.835 ( -7.739 -4.468 13.823) 16.460 3.211 ( -0.283 -0.164 8.235) 8.241 3.630 ( -2.190 -1.264 -5.450) 6.008 3.835 ( 0.285 0.165 -4.864) 4.875 4.161 ( 0.424 0.245 -5.792) 5.813 4.491 ( 13.103 7.565 10.315) 18.312 4.853 ( -0.881 -0.508 -1.083) 1.486 5.103 ( -6.072 -3.506 -3.856) 8.002 5.591 ( -1.513 -0.873 6.927) 7.144 5.905 ( 0.647 0.374 1.948) 2.087 6.361 ( 4.925 2.844 -5.516) 7.923 6.473 ( -4.912 -2.836 4.666) 7.344 6.675 ( 3.034 1.752 -3.416) 4.893 6.790 ( -2.375 -1.371 2.370) 3.625 7.112 ( 0.035 0.020 6.634) 6.634 7.517 ( -0.823 -0.475 -0.687) 1.173 7.688 ( -0.144 -0.083 -2.627) 2.632 8.129 ( -2.909 -1.680 1.370) 3.628 8.226 ( 2.194 1.266 -2.380) 3.475 8.548 ( 1.879 1.085 -0.731) 2.290 9.199 ( 6.867 3.964 -12.319) 14.650 10.265 ( -2.655 -1.533 7.486) 8.089 10.763 ( 2.626 1.516 -0.919) 3.169 15.149 ( -0.170 -0.098 0.166) 0.257 15.639 ( 6.121 3.534 0.060) 7.068 16.098 ( 0.956 0.552 0.933) 1.446 17.455 ( -1.600 -0.924 -8.393) 8.594 17.962 ( -2.826 -1.632 -2.432) 4.070 18.527 ( 0.182 0.105 2.366) 2.376 ======================= Grid point 223 (42/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 1.686 0.973 5.247) 5.597 1.696 ( 5.104 2.947 -1.851) 6.178 1.926 ( -5.938 -3.428 6.819) 9.670 2.137 ( -4.308 -2.487 -2.231) 5.452 2.435 ( -1.751 -1.011 0.492) 2.081 2.496 ( 6.139 3.544 -2.013) 7.369 2.673 ( -0.938 -0.541 10.944) 10.998 2.684 ( 1.100 0.635 11.044) 11.117 3.119 ( -5.568 -3.215 4.814) 8.032 3.626 ( 0.990 0.571 -3.174) 3.373 3.880 ( 2.863 1.653 -7.535) 8.229 4.181 ( 1.695 0.979 -8.243) 8.472 4.703 ( -2.731 -1.577 8.736) 9.288 4.840 ( 4.262 2.461 5.144) 7.119 4.986 ( -1.670 -0.964 -1.812) 2.646 5.571 ( 0.125 0.072 5.224) 5.226 5.924 ( 0.819 0.473 2.526) 2.697 6.368 ( -3.945 -2.277 0.048) 4.555 6.441 ( 1.912 1.104 -3.834) 4.424 6.715 ( -2.892 -1.670 5.222) 6.198 6.750 ( 2.427 1.401 -3.428) 4.427 7.100 ( -1.223 -0.706 6.691) 6.838 7.553 ( 3.688 2.129 -2.672) 5.027 7.692 ( 0.585 0.338 -3.226) 3.297 8.069 ( -2.149 -1.240 1.574) 2.938 8.269 ( 1.566 0.904 -1.989) 2.688 8.567 ( -0.297 -0.171 -0.656) 0.740 9.270 ( -0.856 -0.494 -11.155) 11.199 10.204 ( -2.567 -1.482 7.482) 8.048 10.820 ( 2.177 1.257 -1.952) 3.182 15.145 ( -0.102 -0.059 0.261) 0.286 15.728 ( 1.018 0.588 -0.727) 1.382 16.097 ( -0.394 -0.227 3.472) 3.502 17.422 ( -1.337 -0.772 -11.324) 11.429 17.925 ( -0.192 -0.111 -0.401) 0.458 18.540 ( 0.904 0.522 1.843) 2.118 ======================= Grid point 225 (43/80) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -3.814 -2.202 -0.977) 4.511 1.731 ( 1.686 0.973 3.259) 3.796 1.841 ( -1.747 -1.008 6.775) 7.069 2.069 ( 1.262 0.729 1.011) 1.774 2.368 ( -3.453 -1.993 -1.428) 4.235 2.594 ( -0.975 -0.563 12.210) 12.262 2.666 ( 6.261 3.615 2.384) 7.612 2.812 ( 5.482 3.165 5.028) 8.084 3.034 ( -1.193 -0.689 3.083) 3.377 3.674 ( 3.503 2.023 -0.694) 4.104 3.918 ( -0.058 -0.034 -5.749) 5.750 4.233 ( 2.297 1.326 -6.350) 6.882 4.447 ( -14.003 -8.085 6.829) 17.552 4.941 ( 1.374 0.793 2.573) 3.023 5.041 ( 4.823 2.784 -1.384) 5.738 5.611 ( 3.301 1.906 4.568) 5.949 5.925 ( -1.111 -0.641 3.750) 3.963 6.288 ( -3.072 -1.774 -2.092) 4.118 6.470 ( 0.958 0.553 -5.415) 5.527 6.647 ( -2.584 -1.492 4.608) 5.490 6.802 ( 1.671 0.965 -0.411) 1.973 7.075 ( -0.444 -0.256 7.669) 7.686 7.642 ( 2.960 1.709 -2.492) 4.230 7.728 ( 3.124 1.804 -4.513) 5.777 8.035 ( -0.899 -0.519 1.522) 1.843 8.299 ( 1.097 0.634 -1.111) 1.685 8.535 ( -2.507 -1.447 -0.835) 3.013 9.161 ( -8.424 -4.864 -12.099) 15.525 10.155 ( -1.587 -0.916 9.365) 9.542 10.858 ( 1.167 0.674 -1.976) 2.391 15.143 ( -0.111 -0.064 0.268) 0.297 15.671 ( -5.600 -3.233 -0.542) 6.489 16.092 ( -0.558 -0.322 1.225) 1.384 17.399 ( -0.401 -0.231 -7.339) 7.354 17.957 ( 2.872 1.658 -2.034) 3.890 18.562 ( 0.858 0.495 1.194) 1.552 ======================= Grid point 226 (44/80) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -11.820 -6.824 3.676) 14.135 1.605 ( -10.017 -5.783 6.613) 13.324 2.052 ( 15.398 8.890 4.205) 18.271 2.123 ( 1.315 0.759 0.929) 1.780 2.341 ( 2.028 1.171 -4.199) 4.808 2.576 ( 0.133 0.077 10.423) 10.424 2.780 ( 1.200 0.693 8.632) 8.742 2.908 ( 3.607 2.082 -0.051) 4.165 3.048 ( 1.349 0.779 7.050) 7.220 3.786 ( 5.807 3.353 2.013) 7.001 3.875 ( -2.507 -1.447 -1.684) 3.349 4.198 ( -6.080 -3.510 1.101) 7.107 4.267 ( 0.496 0.286 -2.263) 2.335 4.934 ( -1.461 -0.844 -3.648) 4.019 5.134 ( 3.084 1.781 -4.503) 5.741 5.697 ( 3.634 2.098 3.873) 5.710 5.868 ( -3.782 -2.184 5.314) 6.878 6.227 ( -2.380 -1.374 -3.274) 4.275 6.486 ( 0.112 0.065 -8.588) 8.589 6.607 ( -0.734 -0.424 5.341) 5.408 6.825 ( 0.541 0.312 1.857) 1.959 7.096 ( 2.423 1.399 9.879) 10.268 7.675 ( 0.450 0.260 -2.725) 2.775 7.825 ( 4.769 2.754 -4.725) 7.257 8.019 ( -0.808 -0.466 0.761) 1.204 8.314 ( -0.033 -0.019 0.057) 0.069 8.459 ( -3.947 -2.279 -1.142) 4.699 8.913 ( -12.674 -7.317 -14.389) 20.523 10.143 ( 0.908 0.524 12.271) 12.316 10.874 ( 0.289 0.167 -0.827) 0.892 15.139 ( -0.258 -0.149 0.200) 0.359 15.509 ( -7.963 -4.597 -0.309) 9.200 16.035 ( -5.132 -2.963 -4.091) 7.201 17.419 ( 2.356 1.360 0.208) 2.729 18.043 ( 4.368 2.522 -5.071) 7.152 18.575 ( 0.298 0.172 0.732) 0.809 ======================= Grid point 227 (45/80) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -8.298 -4.791 12.839) 16.020 1.375 ( -9.702 -5.601 15.036) 18.751 2.117 ( 0.351 0.203 -3.324) 3.349 2.332 ( 1.816 1.049 1.053) 2.347 2.509 ( 14.933 8.622 -1.739) 17.330 2.600 ( 0.242 0.140 8.206) 8.211 2.652 ( -8.266 -4.773 18.955) 21.222 2.994 ( 3.464 2.000 -3.757) 5.488 3.084 ( 1.954 1.128 10.107) 10.356 3.846 ( 2.416 1.395 -2.904) 4.027 3.967 ( 7.774 4.488 4.831) 10.194 4.140 ( -0.460 -0.265 -3.995) 4.030 4.271 ( 0.191 0.110 -0.509) 0.554 4.890 ( -2.203 -1.272 -11.090) 11.378 5.177 ( 0.677 0.391 -3.543) 3.628 5.741 ( -1.844 -1.064 7.211) 7.519 5.788 ( -0.778 -0.449 1.296) 1.577 6.181 ( -1.585 -0.915 -4.119) 4.507 6.467 ( -1.536 -0.887 -8.952) 9.126 6.616 ( 1.381 0.798 5.008) 5.256 6.828 ( -0.411 -0.237 2.553) 2.597 7.182 ( 4.941 2.853 10.819) 12.232 7.671 ( -0.792 -0.458 -3.362) 3.484 7.931 ( 3.938 2.274 -5.452) 7.100 7.987 ( -1.816 -1.048 0.397) 2.134 8.281 ( -3.020 -1.743 0.815) 3.581 8.367 ( -3.916 -2.261 -1.819) 4.874 8.633 ( -10.854 -6.267 -16.036) 20.352 10.211 ( 5.197 3.001 15.557) 16.674 10.879 ( 0.606 0.350 0.792) 1.057 15.130 ( -0.655 -0.378 0.084) 0.761 15.336 ( -6.733 -3.887 -0.806) 7.816 15.841 ( -12.091 -6.981 -8.121) 16.152 17.507 ( 5.152 2.974 6.269) 8.642 18.139 ( 3.835 2.214 -7.548) 8.752 18.576 ( -0.128 -0.074 0.726) 0.741 ======================= Grid point 228 (46/80) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.510 0.872 22.618) 22.685 1.192 ( -5.731 -3.309 22.221) 23.186 2.058 ( -9.815 -5.667 19.389) 22.458 2.257 ( -2.162 -1.248 -3.828) 4.570 2.468 ( -1.578 -0.911 15.971) 16.074 2.659 ( 1.616 0.933 -5.680) 5.978 2.871 ( 12.286 7.093 1.062) 14.226 3.058 ( 2.312 1.335 -2.980) 4.001 3.123 ( 1.178 0.680 10.056) 10.148 3.909 ( 2.143 1.237 -2.795) 3.733 4.136 ( 3.606 2.082 -3.700) 5.571 4.147 ( 3.780 2.183 3.402) 5.534 4.286 ( 1.021 0.589 -0.695) 1.368 4.836 ( -2.577 -1.488 -15.923) 16.199 5.168 ( -1.260 -0.727 0.271) 1.480 5.667 ( -2.686 -1.551 8.447) 8.998 5.802 ( 0.522 0.302 -0.296) 0.672 6.164 ( 0.285 0.164 -4.277) 4.290 6.428 ( -1.826 -1.054 -9.064) 9.306 6.659 ( 2.092 1.208 4.901) 5.464 6.799 ( -2.115 -1.221 2.364) 3.399 7.302 ( 5.021 2.899 6.608) 8.791 7.644 ( -1.324 -0.765 -4.464) 4.719 7.883 ( -4.699 -2.713 -5.631) 7.820 8.043 ( 3.433 1.982 -0.879) 4.061 8.208 ( -2.500 -1.443 0.775) 2.989 8.290 ( -2.734 -1.579 -3.028) 4.375 8.457 ( -4.458 -2.574 -14.724) 15.598 10.348 ( 5.341 3.083 17.383) 18.444 10.931 ( 4.494 2.594 0.183) 5.192 15.107 ( -1.187 -0.685 -0.029) 1.371 15.219 ( -3.754 -2.167 -1.954) 4.754 15.515 ( -14.700 -8.487 -4.592) 17.584 17.628 ( 4.803 2.773 7.747) 9.528 18.206 ( 1.949 1.125 -8.448) 8.742 18.574 ( -0.023 -0.013 0.874) 0.874 ======================= Grid point 230 (47/80) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 6.918 5.463 16.329) 18.556 1.242 ( -0.408 8.435 19.175) 20.952 2.140 ( -0.177 -2.450 -4.848) 5.435 2.330 ( 1.476 2.302 -0.914) 2.884 2.493 ( -0.591 6.507 17.652) 18.822 2.654 ( 0.046 -7.883 2.071) 8.151 2.705 ( 2.036 -5.463 8.237) 10.091 2.961 ( -6.696 -1.467 -2.226) 7.207 3.115 ( -0.146 -2.402 9.475) 9.776 3.862 ( -1.901 -3.022 -3.093) 4.724 4.020 ( -3.700 -7.742 4.565) 9.719 4.152 ( 0.910 0.280 -4.504) 4.604 4.229 ( -4.215 -1.389 0.282) 4.447 4.882 ( 1.408 2.386 -14.085) 14.355 5.194 ( 1.429 -0.086 -1.995) 2.456 5.702 ( -0.913 3.433 7.603) 8.391 5.799 ( 1.516 -0.139 0.476) 1.595 6.155 ( -0.734 1.561 -4.472) 4.793 6.484 ( 3.414 1.814 -8.939) 9.739 6.652 ( 1.727 -2.637 5.147) 6.035 6.801 ( -1.863 1.109 3.232) 3.892 7.228 ( -1.741 -5.032 8.817) 10.301 7.641 ( -1.684 0.843 -2.107) 2.826 7.866 ( -6.488 2.566 -2.601) 7.446 8.029 ( 3.437 -3.644 -2.803) 5.740 8.257 ( 0.292 3.573 2.007) 4.108 8.359 ( 3.559 2.901 -1.613) 4.867 8.586 ( 7.242 10.206 -17.526) 21.535 10.303 ( 2.439 -6.205 15.503) 16.876 10.829 ( -6.430 -1.190 1.569) 6.725 15.160 ( 2.795 3.112 0.163) 4.186 15.261 ( 1.078 3.143 -1.211) 3.537 15.761 ( 7.665 14.175 -8.022) 18.001 17.557 ( -1.225 -6.001 6.629) 9.025 18.160 ( -2.138 -2.430 -8.170) 8.788 18.567 ( -0.811 -0.279 1.208) 1.481 ======================= Grid point 231 (48/80) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 6.781 8.540 9.993) 14.791 1.396 ( 8.947 6.029 11.546) 15.802 2.060 ( -5.469 -1.479 -4.986) 7.547 2.267 ( -3.480 -7.470 0.626) 8.265 2.437 ( -2.043 -8.760 4.090) 9.881 2.523 ( -0.632 -5.963 1.484) 6.177 2.809 ( -7.384 1.899 -2.233) 7.945 2.965 ( 9.664 7.252 15.918) 19.984 3.063 ( -2.494 -1.779 10.241) 10.690 3.795 ( -3.897 -1.797 -1.407) 4.516 3.899 ( -2.693 -3.852 1.445) 4.917 4.134 ( -2.085 -0.705 0.199) 2.210 4.207 ( 3.200 0.957 -2.160) 3.978 4.908 ( -1.171 2.273 -9.108) 9.460 5.201 ( 0.229 -1.611 -3.550) 3.905 5.688 ( -3.358 2.795 6.340) 7.700 5.859 ( 3.385 0.844 2.015) 4.028 6.189 ( 2.496 2.934 -4.692) 6.071 6.549 ( 2.398 -0.479 -4.536) 5.154 6.642 ( -0.801 -1.273 2.447) 2.872 6.782 ( 0.240 -0.705 3.736) 3.810 7.160 ( -2.007 -1.771 7.831) 8.276 7.604 ( -2.594 -1.148 1.311) 3.125 7.769 ( -6.078 1.737 -3.277) 7.120 8.078 ( 5.339 -2.569 -3.168) 6.718 8.265 ( -3.128 3.067 1.859) 4.759 8.440 ( 3.678 1.062 -0.899) 3.932 8.869 ( 11.251 11.985 -15.877) 22.854 10.304 ( 2.359 -3.100 11.964) 12.582 10.729 ( -3.874 -0.412 0.401) 3.917 15.209 ( -2.563 5.833 0.036) 6.372 15.361 ( 8.389 0.759 -0.139) 8.425 15.985 ( 5.380 7.495 -5.523) 10.753 17.477 ( -0.943 -6.476 0.973) 6.616 18.102 ( -3.023 -0.002 -6.223) 6.919 18.542 ( -1.222 -0.995 1.876) 2.451 ======================= Grid point 232 (49/80) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.295 1.098 2.185) 6.753 1.553 ( 1.679 4.698 7.883) 9.329 1.982 ( -0.380 -2.814 1.774) 3.348 2.144 ( 0.939 -7.547 -1.282) 7.713 2.352 ( -1.083 -3.655 1.993) 4.302 2.507 ( 2.689 -0.732 5.644) 6.295 2.685 ( -7.895 1.153 -1.848) 8.190 2.928 ( -6.728 -3.492 12.365) 14.503 3.165 ( 4.887 -0.572 6.080) 7.821 3.690 ( -5.155 -0.707 -2.478) 5.763 3.851 ( -2.019 0.569 -2.986) 3.650 4.123 ( 1.829 -2.812 -3.606) 4.925 4.363 ( 10.506 8.028 6.793) 14.865 4.897 ( -2.493 2.537 -2.936) 4.612 5.158 ( -3.268 -2.522 -4.027) 5.767 5.659 ( -3.872 4.025 6.644) 8.679 5.900 ( 0.957 0.430 2.466) 2.680 6.287 ( 5.147 1.379 -4.549) 7.006 6.521 ( -2.652 -2.299 3.896) 5.244 6.648 ( 1.272 1.276 -3.169) 3.645 6.779 ( 0.744 -3.202 2.254) 3.986 7.134 ( -0.994 1.538 5.612) 5.903 7.542 ( -2.514 -1.099 1.504) 3.128 7.709 ( -2.775 1.182 -3.792) 4.845 8.145 ( 4.392 -1.317 -2.233) 5.100 8.220 ( -4.509 2.022 0.437) 4.961 8.505 ( 3.457 -0.505 -0.661) 3.555 9.155 ( 7.940 11.216 -12.209) 18.382 10.295 ( -1.639 -0.846 8.735) 8.928 10.697 ( 2.281 -3.271 -1.280) 4.189 15.210 ( -3.593 5.681 0.131) 6.723 15.528 ( 9.356 1.083 0.293) 9.423 16.089 ( 1.535 2.173 -0.411) 2.692 17.401 ( 0.531 -7.858 -6.933) 10.493 18.057 ( -4.467 3.778 -2.956) 6.554 18.516 ( -0.097 -1.437 2.237) 2.660 ======================= Grid point 233 (50/80) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.082 -3.429 1.603) 3.937 1.621 ( 2.518 0.606 2.777) 3.797 1.949 ( 0.886 -4.410 4.834) 6.603 2.143 ( -0.285 -2.519 0.474) 2.579 2.355 ( 4.978 -0.335 1.061) 5.100 2.562 ( -2.265 3.007 0.705) 3.830 2.608 ( 2.051 1.569 5.204) 5.809 2.765 ( -7.648 -3.049 12.529) 14.992 3.143 ( -2.083 -6.257 3.793) 7.608 3.645 ( -1.402 2.027 -3.145) 3.995 3.854 ( 1.551 1.634 -6.753) 7.119 4.127 ( 2.530 -3.554 -7.020) 8.265 4.651 ( 10.448 8.542 10.108) 16.861 4.870 ( -3.814 1.306 2.191) 4.588 5.048 ( -5.633 -1.344 -2.674) 6.379 5.636 ( -3.993 5.236 6.011) 8.916 5.920 ( 0.769 0.997 2.762) 3.036 6.333 ( 1.486 -4.749 -1.150) 5.108 6.483 ( -1.584 3.028 -0.841) 3.519 6.681 ( 2.123 -1.960 0.976) 3.050 6.745 ( -0.424 -2.331 0.192) 2.377 7.135 ( -1.688 2.033 4.504) 5.222 7.527 ( 1.288 0.873 -0.523) 1.641 7.691 ( -0.591 0.840 -3.892) 4.025 8.142 ( -5.212 2.504 1.108) 5.887 8.219 ( 3.949 -1.362 -2.810) 5.034 8.541 ( 2.007 -1.981 -0.478) 2.860 9.329 ( -0.094 9.191 -9.700) 13.363 10.238 ( -3.201 -1.135 6.954) 7.739 10.728 ( 5.641 -5.247 -2.240) 8.023 15.204 ( -3.461 5.560 0.290) 6.556 15.673 ( 5.849 0.162 -0.271) 5.857 16.097 ( -0.377 -1.116 3.746) 3.927 17.347 ( 2.573 -8.364 -12.291) 15.088 18.024 ( -5.297 6.670 -0.343) 8.524 18.514 ( 1.459 -1.450 1.993) 2.864 ======================= Grid point 234 (51/80) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.911 -1.144 -0.461) 5.063 1.627 ( 3.541 -6.520 3.091) 8.038 1.918 ( -5.427 0.934 5.987) 8.135 2.074 ( -0.612 -2.688 1.972) 3.389 2.423 ( -1.206 0.356 -0.579) 1.384 2.542 ( 0.329 -1.182 6.531) 6.645 2.655 ( 0.683 1.556 6.240) 6.467 2.742 ( 5.877 3.810 6.297) 9.418 3.042 ( -2.033 -4.081 2.569) 5.234 3.662 ( 0.849 2.552 -1.658) 3.159 3.910 ( 1.899 1.428 -6.472) 6.895 4.149 ( 4.566 -4.180 -7.126) 9.439 4.630 ( -14.001 -4.157 6.266) 15.893 4.921 ( 5.253 4.318 5.134) 8.520 5.018 ( 0.419 3.356 -0.868) 3.492 5.642 ( -1.784 6.496 4.858) 8.305 5.936 ( -0.295 0.412 3.713) 3.747 6.287 ( -0.385 -4.528 -1.519) 4.791 6.495 ( -1.180 3.208 -3.541) 4.921 6.653 ( -0.770 -3.703 4.427) 5.823 6.758 ( 2.602 -1.041 -0.951) 2.959 7.113 ( -2.599 1.879 4.856) 5.820 7.585 ( 3.812 -0.087 -1.116) 3.973 7.713 ( 1.574 2.778 -4.749) 5.722 8.078 ( -3.983 0.851 0.381) 4.090 8.275 ( 2.760 0.927 -1.604) 3.324 8.530 ( -0.068 -3.619 -0.481) 3.652 9.314 ( -9.444 4.320 -9.693) 14.206 10.187 ( -2.072 0.275 7.809) 8.084 10.773 ( 5.758 -5.726 -2.674) 8.549 15.202 ( -3.313 5.606 0.348) 6.521 15.691 ( -1.632 -4.466 -0.692) 4.805 16.089 ( 0.810 -0.427 4.059) 4.161 17.328 ( 3.890 -6.569 -11.954) 14.184 18.015 ( -3.643 7.293 -0.058) 8.153 18.532 ( 2.056 -1.386 1.445) 2.870 ======================= Grid point 235 (52/80) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -6.007 -6.687 0.888) 9.033 1.691 ( -7.822 -4.548 4.803) 10.244 1.851 ( 12.382 3.289 5.783) 14.056 2.116 ( 2.911 1.098 1.431) 3.424 2.358 ( -3.636 0.796 -2.771) 4.640 2.525 ( 1.862 -4.673 12.097) 13.101 2.770 ( 5.529 5.319 1.381) 7.796 2.869 ( 3.544 3.284 3.607) 6.029 3.023 ( 1.920 -0.158 5.306) 5.645 3.730 ( 4.110 2.897 0.379) 5.043 3.916 ( -2.650 -0.001 -3.571) 4.446 4.185 ( 4.703 -5.507 -4.138) 8.341 4.330 ( -13.250 -3.572 5.348) 14.728 4.971 ( -1.507 1.283 -0.457) 2.031 5.098 ( 3.581 3.075 -3.039) 5.614 5.696 ( 0.564 5.578 3.702) 6.719 5.903 ( -2.729 -1.851 5.711) 6.594 6.242 ( -1.242 -2.060 -3.339) 4.115 6.507 ( -0.676 2.532 -5.693) 6.267 6.613 ( -0.693 -1.193 4.199) 4.420 6.785 ( 2.487 -2.138 1.889) 3.785 7.103 ( -0.774 2.480 6.716) 7.201 7.629 ( 2.903 -2.329 -1.093) 3.880 7.798 ( 3.597 4.098 -5.094) 7.462 8.022 ( -2.244 -1.527 -0.410) 2.745 8.326 ( 0.737 2.881 -0.202) 2.981 8.472 ( -1.604 -4.698 -0.784) 5.026 9.116 ( -15.054 -0.226 -11.815) 19.138 10.172 ( -1.576 3.073 10.178) 10.748 10.807 ( 4.523 -5.242 -1.984) 7.202 15.201 ( -3.396 5.697 0.302) 6.639 15.557 ( -5.542 -8.101 -0.225) 9.818 16.087 ( -2.030 -0.063 -0.285) 2.051 17.354 ( 4.699 -2.626 -6.061) 8.107 18.045 ( -0.377 5.566 -2.281) 6.027 18.551 ( 1.739 -1.447 0.997) 2.472 ======================= Grid point 236 (53/80) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -11.294 -0.392 7.408) 13.512 1.450 ( -9.508 -8.053 11.921) 17.244 2.114 ( 2.024 -0.796 -4.243) 4.768 2.211 ( 14.794 5.189 4.639) 16.350 2.379 ( 4.796 2.676 -4.131) 6.872 2.533 ( 3.434 -3.007 8.164) 9.353 2.844 ( -7.647 4.717 12.557) 15.441 2.918 ( 3.335 -1.250 -0.923) 3.679 3.063 ( 2.239 0.776 9.496) 9.787 3.828 ( 1.069 -0.433 1.014) 1.536 3.873 ( 4.397 1.967 0.560) 4.849 4.174 ( -3.114 0.616 -1.991) 3.747 4.210 ( 3.232 -4.913 -0.733) 5.927 4.933 ( -2.980 -0.148 -7.557) 8.125 5.169 ( 1.781 1.865 -3.918) 4.690 5.745 ( 0.499 0.807 2.748) 2.907 5.824 ( -3.783 -1.001 6.033) 7.191 6.198 ( -2.061 -1.252 -4.092) 4.750 6.510 ( -1.804 1.888 -7.692) 8.123 6.612 ( 0.465 1.430 4.357) 4.609 6.803 ( 1.846 -1.916 3.465) 4.369 7.142 ( 2.527 2.401 9.285) 9.917 7.646 ( 1.845 -2.398 -1.330) 3.306 7.885 ( 3.490 -1.110 -4.438) 5.754 7.980 ( -0.854 0.392 -1.527) 1.793 8.328 ( -2.763 -0.321 1.862) 3.347 8.407 ( -2.019 -1.155 -1.815) 2.950 8.836 ( -16.240 -0.740 -15.013) 22.129 10.203 ( 0.808 5.205 12.987) 14.014 10.821 ( 3.072 -4.846 -0.154) 5.739 15.195 ( -3.779 5.302 0.215) 6.514 15.380 ( -5.319 -7.608 -0.435) 9.293 15.990 ( -8.917 -1.377 -5.674) 10.659 17.437 ( 5.675 1.261 1.691) 6.054 18.103 ( 2.282 2.388 -5.623) 6.521 18.562 ( 1.108 -1.248 0.960) 1.925 ======================= Grid point 241 (54/80) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.777 2.067 4.197) 5.440 1.601 ( 2.916 12.644 8.230) 15.366 1.943 ( -3.565 -14.968 1.236) 15.436 2.095 ( -2.419 -2.090 0.100) 3.198 2.367 ( -0.720 0.750 -0.953) 1.410 2.466 ( -0.270 -0.594 8.470) 8.495 2.793 ( -5.044 -2.763 -1.299) 5.896 2.957 ( -0.241 -5.412 12.145) 13.299 3.054 ( 3.976 -2.596 2.629) 5.428 3.751 ( -3.163 -2.965 -0.056) 4.335 3.906 ( -0.290 3.717 -1.494) 4.017 4.091 ( -3.660 -3.153 -3.641) 6.049 4.304 ( 6.667 9.852 4.646) 12.771 4.960 ( -1.360 2.349 -2.936) 3.998 5.154 ( 0.524 -3.064 -3.497) 4.679 5.755 ( -0.631 3.052 3.335) 4.565 5.875 ( 1.601 1.253 6.162) 6.489 6.233 ( 2.073 0.921 -4.130) 4.711 6.530 ( -0.449 -0.406 0.312) 0.681 6.631 ( 2.039 -0.783 -1.751) 2.799 6.749 ( -1.773 -1.965 3.764) 4.601 7.144 ( 1.228 0.045 5.204) 5.348 7.579 ( -3.425 -1.270 1.257) 3.863 7.801 ( -4.943 0.491 -4.699) 6.838 8.038 ( 5.020 -0.474 -2.993) 5.864 8.339 ( -4.203 3.868 1.007) 5.801 8.428 ( 3.162 -2.072 -0.972) 3.903 9.131 ( 9.625 14.184 -11.334) 20.550 10.261 ( 4.442 -1.472 10.233) 11.252 10.697 ( -6.483 -2.864 -2.310) 7.454 15.335 ( 4.971 3.536 0.175) 6.103 15.392 ( -0.371 5.560 0.217) 5.577 16.087 ( 1.472 2.523 -0.710) 3.006 17.338 ( -2.407 -6.867 -6.590) 9.817 18.117 ( 1.425 1.278 -2.262) 2.963 18.519 ( -2.131 -1.283 1.445) 2.877 ======================= Grid point 242 (55/80) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.546 -4.401 -1.057) 4.783 1.641 ( -3.837 -2.964 6.390) 8.021 1.860 ( 3.179 -0.372 4.364) 5.412 2.101 ( 3.711 -0.129 0.926) 3.827 2.336 ( -2.035 1.303 3.782) 4.488 2.524 ( 3.773 2.100 5.462) 6.963 2.691 ( -4.585 -0.069 1.103) 4.716 2.845 ( -5.271 -4.904 11.353) 13.443 3.066 ( 2.425 -7.349 -0.155) 7.740 3.694 ( -1.993 0.510 -2.593) 3.310 3.882 ( -3.313 1.729 -4.310) 5.705 4.045 ( 1.695 -4.594 -6.477) 8.120 4.578 ( 9.995 13.016 8.714) 18.581 4.944 ( -2.552 1.480 1.057) 3.134 5.109 ( -2.863 -2.413 -2.191) 4.338 5.772 ( -3.407 6.677 5.505) 9.300 5.906 ( 1.679 0.437 4.462) 4.787 6.258 ( 1.792 -4.141 -1.313) 4.699 6.520 ( -0.474 1.791 1.077) 2.143 6.647 ( 0.573 -1.422 -0.799) 1.729 6.709 ( 0.186 -3.014 0.910) 3.154 7.174 ( 0.380 2.194 1.460) 2.663 7.522 ( -1.275 -1.136 2.135) 2.733 7.743 ( -3.104 1.943 -5.491) 6.600 8.124 ( 5.225 -0.296 -3.109) 6.088 8.275 ( -6.474 3.070 0.143) 7.167 8.465 ( 3.641 -3.208 -0.186) 4.856 9.407 ( 5.453 13.908 -7.014) 16.504 10.285 ( -1.554 -0.362 7.871) 8.031 10.581 ( 0.652 -8.255 -4.506) 9.428 15.358 ( -5.457 8.696 0.163) 10.267 15.539 ( 9.584 0.343 0.403) 9.598 16.090 ( -0.888 -2.322 4.385) 5.040 17.240 ( -0.298 -7.436 -13.725) 15.613 18.157 ( -1.335 5.730 0.318) 5.892 18.477 ( -0.225 -2.621 1.604) 3.081 ======================= Grid point 243 (56/80) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.258 -5.395 -3.303) 7.625 1.558 ( -0.206 -3.767 6.180) 7.241 1.937 ( 3.803 1.172 3.980) 5.628 2.094 ( -4.756 -1.524 4.543) 6.751 2.379 ( 4.265 1.132 3.109) 5.398 2.567 ( -0.598 -0.567 5.417) 5.479 2.663 ( -0.667 1.055 6.443) 6.563 2.738 ( -1.801 2.182 5.153) 5.878 3.009 ( -0.055 -6.214 0.514) 6.236 3.684 ( -0.762 1.748 -2.503) 3.146 3.886 ( 1.957 1.451 -5.683) 6.183 4.035 ( 2.720 -5.235 -7.401) 9.464 4.798 ( -2.799 4.554 5.732) 7.838 4.891 ( -0.560 2.185 5.146) 5.619 5.052 ( -0.844 0.814 -0.400) 1.239 5.771 ( -4.270 7.348 6.197) 10.518 5.941 ( 0.589 1.275 3.784) 4.037 6.224 ( 1.449 -5.950 0.290) 6.131 6.545 ( -0.315 3.040 -1.731) 3.513 6.619 ( -0.498 -3.134 3.168) 4.484 6.705 ( 1.915 -2.067 -1.572) 3.227 7.181 ( -2.229 2.313 0.297) 3.225 7.522 ( 2.341 -1.353 1.763) 3.227 7.736 ( -0.645 3.104 -5.967) 6.757 8.154 ( -3.021 -1.585 -2.877) 4.463 8.248 ( 1.454 4.625 -0.054) 4.848 8.475 ( 1.651 -4.417 -0.052) 4.716 9.533 ( -6.281 10.256 -4.666) 12.900 10.230 ( -2.757 0.834 5.395) 6.115 10.571 ( 7.785 -9.922 -4.206) 13.295 15.351 ( -5.292 8.789 0.358) 10.265 15.646 ( 2.620 -3.097 -0.545) 4.093 16.052 ( 1.284 -2.944 7.238) 7.919 17.196 ( 3.022 -5.869 -16.366) 17.647 18.169 ( -4.734 7.153 1.473) 8.703 18.469 ( 2.540 -3.121 1.290) 4.226 ======================= Grid point 245 (57/80) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.974 -4.846 -1.637) 5.483 1.626 ( 9.508 2.573 5.545) 11.303 1.885 ( -9.358 -3.569 5.324) 11.342 2.053 ( 2.468 0.800 2.784) 3.805 2.407 ( -0.066 -3.214 2.289) 3.946 2.503 ( -4.346 -0.553 8.145) 9.248 2.710 ( 4.541 2.293 1.001) 5.184 2.828 ( 5.613 3.837 7.414) 10.059 2.989 ( 2.059 0.033 0.841) 2.224 3.703 ( 1.395 1.086 -2.055) 2.711 3.938 ( 1.128 0.784 -3.555) 3.811 4.041 ( 4.456 -5.188 -6.966) 9.762 4.572 ( -16.884 -1.495 7.168) 18.403 4.971 ( 1.987 0.456 1.944) 2.816 5.089 ( 1.909 3.061 -1.188) 3.798 5.777 ( -2.907 5.686 4.094) 7.586 5.923 ( -1.981 -2.168 6.390) 7.032 6.223 ( 1.999 -0.966 -2.146) 3.087 6.543 ( -1.580 0.200 -0.699) 1.739 6.607 ( 0.785 0.763 0.836) 1.377 6.721 ( 2.319 -2.082 0.917) 3.249 7.157 ( -2.568 2.073 1.926) 3.821 7.553 ( 2.986 -2.255 1.260) 3.949 7.775 ( 1.935 1.591 -5.825) 6.341 8.074 ( -4.182 -0.040 -2.257) 4.752 8.336 ( 2.549 4.089 -0.827) 4.889 8.435 ( -0.432 -5.096 0.221) 5.119 9.397 ( -15.475 3.083 -7.029) 17.274 10.234 ( -0.869 4.326 7.838) 8.994 10.628 ( 8.580 -7.481 -4.169) 12.123 15.350 ( -5.094 8.748 0.344) 10.129 15.557 ( -4.526 -8.678 0.017) 9.787 16.085 ( 2.525 0.030 4.571) 5.222 17.230 ( 5.830 -2.545 -13.577) 14.993 18.146 ( -4.544 4.755 0.657) 6.610 18.492 ( 2.957 -2.218 1.152) 3.871 ======================= Grid point 253 (58/80) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.898 -2.991 -3.764) 5.169 1.534 ( -1.063 -3.161 7.570) 8.272 1.920 ( -0.864 1.400 2.551) 3.036 2.114 ( 3.252 2.047 3.596) 5.263 2.363 ( -1.730 0.230 7.152) 7.362 2.561 ( 0.972 1.387 5.780) 6.023 2.679 ( -0.379 -1.409 5.871) 6.050 2.779 ( -0.799 -0.792 4.515) 4.653 2.950 ( -0.440 -3.194 -0.885) 3.344 3.704 ( 0.297 0.491 -3.217) 3.268 3.895 ( -1.918 -0.674 -3.106) 3.713 3.971 ( -0.425 -2.003 -9.304) 9.527 4.821 ( 5.690 10.140 6.163) 13.160 4.943 ( -0.852 -1.629 3.405) 3.869 5.057 ( -1.622 -2.840 0.842) 3.377 5.861 ( 1.162 1.328 7.867) 8.063 5.956 ( 1.470 4.669 2.848) 5.663 6.152 ( -2.048 -5.337 1.430) 5.893 6.566 ( 0.110 2.333 0.884) 2.497 6.607 ( 0.711 -1.908 0.458) 2.087 6.671 ( -1.184 -1.109 -2.157) 2.699 7.211 ( 1.102 1.355 -2.217) 2.822 7.497 ( -1.110 -1.113 3.310) 3.665 7.769 ( -0.118 0.507 -6.698) 6.718 8.142 ( 1.892 1.652 -3.480) 4.291 8.309 ( -1.726 -0.337 -0.284) 1.781 8.411 ( 0.195 -1.126 0.594) 1.287 9.654 ( 5.220 8.909 -0.549) 10.341 10.281 ( 1.899 0.246 4.259) 4.669 10.412 ( -5.808 -7.163 -6.545) 11.308 15.499 ( 2.656 3.510 -0.146) 4.404 15.560 ( 0.517 2.345 -0.017) 2.401 16.017 ( -1.911 -3.584 8.705) 9.606 17.138 ( -1.450 -2.662 -18.138) 18.390 18.262 ( 2.843 4.318 2.773) 5.867 18.416 ( -2.153 -3.071 0.389) 3.771 ======================= Grid point 327 (59/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 0.000 15.916) 15.916 1.662 ( 0.000 0.000 22.813) 22.813 2.004 ( 0.000 0.000 -12.410) 12.410 2.081 ( 0.000 0.000 -14.085) 14.085 2.767 ( 0.000 -0.000 14.817) 14.817 2.781 ( 0.000 0.000 11.762) 11.762 3.023 ( 0.000 -0.000 0.196) 0.196 3.037 ( 0.000 -0.000 -2.733) 2.733 3.346 ( 0.000 0.000 6.992) 6.992 3.887 ( 0.000 -0.000 -1.698) 1.698 3.997 ( 0.000 0.000 -1.783) 1.783 4.165 ( 0.000 -0.000 -13.043) 13.043 4.359 ( 0.000 0.000 5.212) 5.212 4.486 ( 0.000 0.000 -8.827) 8.827 5.194 ( 0.000 -0.000 1.406) 1.406 5.788 ( 0.000 0.000 -1.017) 1.017 5.877 ( 0.000 0.000 13.034) 13.034 6.137 ( 0.000 0.000 -0.580) 0.580 6.158 ( 0.000 0.000 -12.765) 12.765 6.771 ( 0.000 0.000 2.464) 2.464 6.791 ( 0.000 -0.000 0.510) 0.510 7.432 ( 0.000 0.000 3.482) 3.482 7.518 ( 0.000 -0.000 -4.656) 4.656 7.650 ( 0.000 -0.000 -5.909) 5.909 8.113 ( 0.000 -0.000 2.376) 2.376 8.178 ( 0.000 0.000 -3.548) 3.548 8.198 ( 0.000 0.000 0.683) 0.683 8.239 ( 0.000 0.000 -3.362) 3.362 10.716 ( 0.000 -0.000 11.739) 11.739 10.912 ( 0.000 0.000 -6.881) 6.881 15.100 ( 0.000 0.000 0.452) 0.452 15.118 ( 0.000 0.000 -1.195) 1.195 15.357 ( 0.000 0.000 0.717) 0.717 17.855 ( 0.000 0.000 8.637) 8.637 18.045 ( 0.000 0.000 -9.020) 9.020 18.582 ( 0.000 -0.000 0.153) 0.153 ======================= Grid point 328 (60/80) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.873 1.081 15.858) 16.005 1.599 ( -4.730 -2.731 20.333) 21.053 1.989 ( -1.666 -0.962 -10.501) 10.676 2.079 ( 0.630 0.363 -16.198) 16.215 2.782 ( -0.642 -0.371 11.499) 11.522 2.866 ( 5.166 2.982 9.526) 11.239 2.950 ( -5.235 -3.023 0.727) 6.089 2.961 ( -4.337 -2.504 1.972) 5.382 3.339 ( -0.708 -0.409 6.423) 6.475 3.855 ( -2.796 -1.614 -2.007) 3.802 4.025 ( 2.595 1.498 0.402) 3.024 4.187 ( 1.037 0.599 -8.328) 8.413 4.289 ( -5.467 -3.156 6.101) 8.779 4.469 ( -0.670 -0.387 -14.005) 14.027 5.197 ( 0.126 0.072 0.622) 0.638 5.786 ( -0.269 -0.156 -0.446) 0.543 5.898 ( 1.609 0.929 12.465) 12.603 6.080 ( -2.324 -1.342 -2.942) 3.982 6.216 ( 3.598 2.077 -10.624) 11.407 6.794 ( 1.631 0.941 3.507) 3.981 6.802 ( 0.185 0.107 0.014) 0.215 7.416 ( -2.010 -1.160 4.581) 5.135 7.584 ( 4.429 2.557 0.023) 5.115 7.681 ( 2.553 1.474 -8.732) 9.216 8.056 ( -3.240 -1.871 -0.221) 3.748 8.184 ( 3.363 1.942 -4.512) 5.953 8.239 ( 2.533 1.462 0.748) 3.019 8.304 ( 3.499 2.020 -1.338) 4.256 10.677 ( -3.202 -1.849 10.436) 11.071 10.845 ( -4.907 -2.833 -4.807) 7.430 15.123 ( 1.563 0.903 0.825) 1.985 15.173 ( 4.388 2.533 -1.842) 5.391 15.469 ( 9.422 5.440 -0.446) 10.889 17.810 ( -4.151 -2.396 7.980) 9.309 18.012 ( -2.274 -1.313 -8.513) 8.909 18.585 ( 0.105 0.061 0.258) 0.286 ======================= Grid point 329 (61/80) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.404 -0.810 13.039) 13.140 1.585 ( 4.218 2.435 11.302) 12.307 1.930 ( -2.008 -1.159 -6.340) 6.751 2.132 ( 3.137 1.811 -11.573) 12.126 2.649 ( -10.650 -6.149 -3.581) 12.808 2.769 ( -5.900 -3.406 3.854) 7.827 2.833 ( -5.022 -2.899 10.072) 11.621 3.094 ( 7.656 4.420 5.396) 10.357 3.304 ( -2.670 -1.542 5.453) 6.264 3.775 ( -3.687 -2.129 -1.949) 4.683 4.116 ( -7.588 -4.381 5.330) 10.256 4.132 ( 7.498 4.329 5.208) 10.104 4.179 ( -3.714 -2.145 -0.084) 4.290 4.515 ( 5.021 2.899 -18.283) 19.180 5.187 ( -1.147 -0.662 -0.727) 1.511 5.778 ( -0.309 -0.179 0.873) 0.943 5.935 ( 1.132 0.654 10.164) 10.248 6.068 ( 1.585 0.915 -2.796) 3.341 6.317 ( 5.168 2.984 -9.913) 11.571 6.779 ( -2.214 -1.278 2.319) 3.452 6.826 ( 1.069 0.617 1.232) 1.744 7.348 ( -3.622 -2.091 5.551) 6.950 7.648 ( 1.456 0.841 2.391) 2.923 7.697 ( -2.614 -1.509 -4.137) 5.121 8.041 ( 1.879 1.085 -2.523) 3.328 8.282 ( 0.593 0.342 2.290) 2.390 8.346 ( 7.292 4.210 -8.058) 11.654 8.407 ( 9.210 5.318 -1.456) 10.734 10.571 ( -5.724 -3.305 4.184) 7.822 10.757 ( -2.109 -1.218 1.289) 2.755 15.146 ( 0.511 0.295 0.026) 0.590 15.311 ( 7.364 4.252 -0.411) 8.513 15.728 ( 12.003 6.930 -2.042) 14.009 17.665 ( -8.158 -4.710 3.146) 9.931 17.971 ( -1.251 -0.722 -4.717) 4.933 18.582 ( -0.403 -0.232 0.587) 0.749 ======================= Grid point 330 (62/80) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 2.020 1.166 3.884) 4.531 1.662 ( 1.892 1.092 5.941) 6.329 1.950 ( 3.993 2.305 1.201) 4.764 2.179 ( -0.199 -0.115 -5.260) 5.265 2.438 ( -5.670 -3.274 -7.049) 9.620 2.624 ( -6.126 -3.537 3.078) 7.714 2.735 ( -3.646 -2.105 10.725) 11.521 3.164 ( -3.676 -2.122 -0.326) 4.257 3.254 ( 1.260 0.727 2.245) 2.675 3.693 ( -4.027 -2.325 0.237) 4.656 3.941 ( -6.895 -3.981 5.899) 9.909 4.076 ( -4.990 -2.881 -4.416) 7.259 4.383 ( 14.171 8.182 9.355) 18.849 4.656 ( 6.543 3.778 -10.967) 13.318 5.140 ( -3.148 -1.818 -1.633) 3.985 5.765 ( -1.144 -0.660 2.939) 3.222 5.936 ( -0.669 -0.386 4.284) 4.353 6.150 ( 4.971 2.870 -1.907) 6.049 6.437 ( 4.982 2.877 -8.165) 9.988 6.705 ( -4.087 -2.360 4.229) 6.337 6.846 ( 0.792 0.457 -0.249) 0.948 7.269 ( -2.965 -1.712 5.600) 6.564 7.601 ( -4.846 -2.798 -0.663) 5.634 7.662 ( -0.156 -0.090 0.675) 0.699 8.100 ( 2.783 1.607 -2.631) 4.153 8.259 ( -2.182 -1.260 3.278) 4.134 8.451 ( 3.788 2.187 -2.664) 5.121 8.717 ( 14.319 8.267 -7.054) 17.976 10.449 ( -4.691 -2.708 1.252) 5.559 10.742 ( 0.422 0.244 2.551) 2.597 15.152 ( 0.061 0.035 -0.066) 0.096 15.487 ( 7.775 4.489 0.440) 8.988 15.970 ( 8.891 5.133 -1.336) 10.353 17.469 ( -8.506 -4.911 -1.576) 9.948 17.948 ( -0.897 -0.518 -2.054) 2.300 18.570 ( -0.507 -0.293 1.018) 1.174 ======================= Grid point 331 (63/80) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.113 0.065 -0.262) 0.292 1.695 ( 1.751 1.011 6.805) 7.099 2.048 ( 2.555 1.475 1.002) 3.116 2.126 ( -2.715 -1.568 -4.910) 5.825 2.407 ( 1.000 0.577 -2.292) 2.566 2.521 ( -2.309 -1.333 4.764) 5.459 2.688 ( -0.180 -0.104 4.035) 4.040 3.033 ( -5.938 -3.428 3.098) 7.524 3.297 ( 0.253 0.146 -2.163) 2.182 3.608 ( -1.481 -0.855 3.815) 4.180 3.816 ( -4.583 -2.646 5.066) 7.326 3.975 ( -3.335 -1.926 -10.200) 10.903 4.713 ( 12.588 7.268 5.275) 15.463 4.801 ( 6.797 3.924 -0.140) 7.850 5.042 ( -5.363 -3.097 -1.477) 6.367 5.714 ( -3.237 -1.869 3.176) 4.905 5.929 ( 0.239 0.138 1.045) 1.081 6.260 ( 4.043 2.334 -3.014) 5.557 6.512 ( 0.189 0.109 -4.510) 4.515 6.627 ( -1.037 -0.598 3.554) 3.750 6.858 ( -0.021 -0.012 1.004) 1.004 7.225 ( -0.856 -0.494 3.908) 4.031 7.506 ( -2.920 -1.686 -0.078) 3.373 7.647 ( -0.958 -0.553 -1.050) 1.525 8.151 ( 1.185 0.684 -1.380) 1.943 8.208 ( -1.446 -0.835 2.553) 3.051 8.521 ( 2.201 1.271 -1.702) 3.059 8.987 ( 8.666 5.003 -6.203) 11.773 10.362 ( -2.983 -1.723 1.342) 3.697 10.763 ( 1.173 0.677 0.998) 1.682 15.151 ( -0.048 -0.028 0.055) 0.078 15.643 ( 5.534 3.195 0.392) 6.402 16.120 ( 4.292 2.478 0.817) 5.023 17.303 ( -5.708 -3.296 -4.767) 8.134 17.929 ( -0.763 -0.441 -0.768) 1.169 18.563 ( -0.106 -0.061 1.052) 1.059 ======================= Grid point 332 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.277 0.160 -0.481) 0.578 1.748 ( 2.537 1.465 4.094) 5.034 2.030 ( -3.128 -1.806 2.772) 4.552 2.084 ( -1.124 -0.649 -2.737) 3.029 2.419 ( -0.923 -0.533 -0.530) 1.191 2.533 ( 3.134 1.809 3.830) 5.269 2.714 ( 1.645 0.950 -2.266) 2.957 2.940 ( -1.670 -0.964 6.589) 6.865 3.227 ( -4.710 -2.719 4.887) 7.311 3.675 ( 5.072 2.928 5.449) 8.000 3.734 ( -1.584 -0.914 -2.962) 3.481 3.946 ( 1.044 0.603 -12.468) 12.526 4.820 ( -4.611 -2.662 2.816) 6.023 4.946 ( 0.894 0.516 -1.687) 1.977 4.975 ( 4.333 2.502 4.944) 7.034 5.656 ( -0.633 -0.366 2.267) 2.382 5.941 ( 0.660 0.381 -0.282) 0.813 6.306 ( -0.365 -0.211 -3.059) 3.088 6.462 ( -2.413 -1.393 2.923) 4.038 6.664 ( 2.639 1.523 -3.366) 4.540 6.836 ( -1.813 -1.047 4.630) 5.081 7.220 ( 0.119 0.069 2.983) 2.987 7.490 ( 1.562 0.902 -2.183) 2.832 7.632 ( -0.082 -0.047 -1.997) 1.999 8.132 ( -1.780 -1.028 3.653) 4.191 8.224 ( 1.740 1.004 -2.098) 2.905 8.544 ( -0.200 -0.115 -1.231) 1.252 9.084 ( -0.377 -0.218 -5.119) 5.137 10.316 ( -0.991 -0.572 2.794) 3.020 10.787 ( 0.920 0.531 -0.880) 1.379 15.150 ( -0.037 -0.021 0.153) 0.158 15.715 ( 0.361 0.208 -0.385) 0.567 16.167 ( -0.075 -0.043 2.323) 2.325 17.229 ( -0.506 -0.292 -5.478) 5.509 17.918 ( -0.071 -0.041 -0.180) 0.198 18.565 ( 0.285 0.165 0.556) 0.646 ======================= Grid point 334 (65/80) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -1.782 -1.029 -0.008) 2.058 1.774 ( -0.988 -0.571 -0.156) 1.152 1.988 ( 1.428 0.825 6.443) 6.651 2.080 ( 0.990 0.571 -0.466) 1.234 2.354 ( -4.514 -2.606 1.156) 5.338 2.638 ( 5.401 3.118 -2.909) 6.881 2.742 ( 1.454 0.840 -2.667) 3.152 2.952 ( 2.084 1.203 10.324) 10.601 3.164 ( -0.069 -0.040 7.347) 7.348 3.730 ( 2.751 1.588 -0.872) 3.294 3.788 ( 3.094 1.786 0.330) 3.588 4.028 ( 5.585 3.224 -11.558) 13.235 4.604 ( -12.153 -7.017 7.781) 16.046 4.933 ( -6.625 -3.825 -4.584) 8.918 5.028 ( 4.064 2.347 0.166) 4.696 5.701 ( 3.489 2.015 3.451) 5.305 5.956 ( 0.688 0.397 -0.680) 1.046 6.257 ( -3.180 -1.836 -1.877) 4.124 6.415 ( -2.493 -1.439 2.122) 3.576 6.712 ( 1.141 0.659 -2.169) 2.537 6.801 ( -0.363 -0.210 4.037) 4.058 7.235 ( 1.487 0.858 4.616) 4.925 7.550 ( 2.841 1.640 -4.690) 5.723 7.656 ( 2.325 1.342 -1.989) 3.341 8.092 ( -1.749 -1.010 3.441) 3.990 8.266 ( 1.946 1.123 -1.925) 2.959 8.512 ( -2.628 -1.517 -1.061) 3.215 8.971 ( -9.200 -5.312 -4.732) 11.630 10.317 ( 1.055 0.609 5.325) 5.463 10.804 ( 0.650 0.375 -2.647) 2.752 15.149 ( -0.064 -0.037 0.238) 0.250 15.656 ( -5.293 -3.056 -0.739) 6.156 16.119 ( -4.187 -2.418 0.961) 4.930 17.281 ( 4.935 2.849 -2.825) 6.360 17.928 ( 0.909 0.525 -0.671) 1.246 18.574 ( 0.388 0.224 0.010) 0.448 ======================= Grid point 335 (66/80) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -4.287 -2.475 6.596) 8.247 1.721 ( -2.532 -1.462 2.514) 3.856 2.026 ( -1.911 -1.104 -3.967) 4.540 2.168 ( 4.221 2.437 -4.064) 6.346 2.275 ( 3.023 1.745 6.210) 7.124 2.729 ( 2.920 1.686 -4.708) 5.791 2.828 ( 5.088 2.938 3.549) 6.864 3.016 ( 3.170 1.830 9.612) 10.285 3.209 ( 3.222 1.860 5.255) 6.438 3.778 ( 0.721 0.416 -5.826) 5.885 3.902 ( 7.611 4.394 6.378) 10.859 4.150 ( 4.293 2.479 -7.230) 8.767 4.319 ( -11.537 -6.661 9.693) 16.475 4.735 ( -9.718 -5.611 -12.851) 17.061 5.113 ( 3.212 1.854 0.954) 3.829 5.762 ( 1.540 0.889 2.062) 2.722 5.969 ( 0.165 0.095 2.847) 2.853 6.184 ( -3.018 -1.742 -2.720) 4.420 6.336 ( -4.205 -2.428 -1.801) 5.179 6.722 ( 0.379 0.219 3.950) 3.974 6.825 ( 1.652 0.954 -0.391) 1.947 7.292 ( 3.405 1.966 5.591) 6.836 7.599 ( 1.347 0.777 -2.847) 3.244 7.726 ( 3.418 1.973 -4.286) 5.827 8.049 ( -2.137 -1.234 2.043) 3.204 8.304 ( 0.977 0.564 -0.686) 1.320 8.431 ( -4.336 -2.503 -1.432) 5.207 8.698 ( -13.811 -7.974 -4.941) 16.696 10.367 ( 3.579 2.066 8.061) 9.058 10.820 ( 0.738 0.426 -3.832) 3.926 15.147 ( -0.195 -0.113 0.381) 0.442 15.498 ( -8.014 -4.627 -0.594) 9.272 15.973 ( -8.733 -5.042 -1.582) 10.207 17.437 ( 8.323 4.805 1.338) 9.703 17.956 ( 1.441 0.832 -2.599) 3.086 18.581 ( 0.277 0.160 -0.094) 0.334 ======================= Grid point 336 (67/80) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.291 0.168 14.511) 14.515 1.684 ( -0.960 -0.554 11.133) 11.188 1.943 ( -3.233 -1.867 -9.447) 10.158 2.146 ( -1.762 -1.018 -12.538) 12.702 2.556 ( 15.293 8.829 4.573) 18.241 2.791 ( 2.275 1.314 4.265) 5.009 2.917 ( 2.504 1.446 2.337) 3.717 3.036 ( -2.566 -1.482 8.376) 8.884 3.284 ( 3.032 1.751 6.274) 7.185 3.798 ( 1.833 1.059 -2.674) 3.411 4.095 ( 6.815 3.935 3.514) 8.618 4.105 ( -3.650 -2.107 6.987) 8.160 4.235 ( 1.180 0.681 -2.004) 2.423 4.535 ( -6.717 -3.878 -18.892) 20.422 5.169 ( 1.721 0.994 0.984) 2.218 5.780 ( 0.405 0.234 0.020) 0.469 5.949 ( -1.892 -1.093 8.576) 8.850 6.124 ( -2.235 -1.290 -2.158) 3.364 6.249 ( -3.065 -1.770 -8.391) 9.107 6.737 ( 0.846 0.488 4.968) 5.063 6.852 ( 0.411 0.237 -0.312) 0.568 7.377 ( 3.654 2.110 5.414) 6.864 7.605 ( -0.864 -0.499 -0.684) 1.210 7.785 ( 0.384 0.222 -7.578) 7.591 8.001 ( -1.332 -0.769 1.136) 1.912 8.268 ( -5.211 -3.008 -0.547) 6.042 8.332 ( -3.633 -2.097 -2.066) 4.676 8.425 ( -8.091 -4.672 -3.575) 10.004 10.488 ( 6.961 4.019 9.774) 12.654 10.839 ( 1.010 0.583 -4.144) 4.305 15.139 ( -0.513 -0.296 0.607) 0.848 15.316 ( -7.592 -4.383 -0.870) 8.809 15.732 ( -12.020 -6.940 -2.433) 14.092 17.636 ( 8.706 5.026 5.212) 11.324 17.988 ( 1.346 0.777 -5.651) 5.861 18.586 ( 0.099 0.057 0.169) 0.204 ======================= Grid point 337 (68/80) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.699 1.558 17.319) 17.597 1.656 ( -0.967 -0.559 20.945) 20.975 1.947 ( 3.253 1.878 -13.936) 14.434 2.110 ( -1.703 -0.983 -15.261) 15.387 2.793 ( 0.679 0.392 10.756) 10.785 2.848 ( -3.746 -2.163 10.085) 10.973 2.901 ( 7.088 4.092 4.042) 9.128 3.012 ( 1.614 0.932 -0.905) 2.072 3.334 ( 1.280 0.739 6.808) 6.967 3.857 ( 2.527 1.459 -1.935) 3.501 4.022 ( -2.175 -1.256 0.076) 2.513 4.195 ( -2.009 -1.160 -8.472) 8.784 4.285 ( 5.685 3.282 5.765) 8.736 4.473 ( 0.388 0.224 -13.790) 13.797 5.192 ( 0.379 0.219 1.069) 1.155 5.787 ( 0.138 0.079 -0.675) 0.694 5.901 ( -1.918 -1.108 12.123) 12.324 6.101 ( 0.659 0.381 -2.473) 2.588 6.196 ( -1.861 -1.074 -10.896) 11.106 6.758 ( 0.895 0.517 3.721) 3.862 6.832 ( -2.155 -1.244 0.212) 2.498 7.434 ( 0.914 0.528 5.194) 5.301 7.560 ( -2.840 -1.640 -2.051) 3.868 7.702 ( -4.952 -2.859 -8.792) 10.488 8.044 ( 4.377 2.527 0.751) 5.109 8.172 ( -1.747 -1.009 -2.687) 3.360 8.250 ( -3.431 -1.981 -0.329) 3.976 8.308 ( -4.029 -2.326 -1.953) 5.046 10.651 ( 6.036 3.485 10.939) 12.971 10.871 ( 2.065 1.192 -5.328) 5.837 15.119 ( -1.305 -0.754 1.022) 1.821 15.175 ( -4.497 -2.596 -1.844) 5.510 15.471 ( -9.591 -5.537 -0.636) 11.093 17.801 ( 5.079 2.932 8.202) 10.083 18.019 ( 1.548 0.894 -8.588) 8.772 18.585 ( -0.140 -0.081 0.241) 0.290 ======================= Grid point 339 (69/80) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 3.590 -2.374 15.747) 16.324 1.614 ( -4.338 2.072 12.712) 13.591 1.954 ( 1.040 0.548 -7.638) 7.728 2.116 ( -0.122 1.969 -14.513) 14.646 2.664 ( -5.776 -15.421 1.279) 16.517 2.782 ( -2.804 -3.613 6.422) 7.884 2.949 ( -4.344 -0.641 4.009) 5.946 3.010 ( 6.241 5.725 7.865) 11.557 3.314 ( -0.431 -2.242 6.307) 6.708 3.808 ( -2.013 -2.332 -2.097) 3.727 4.079 ( 3.162 3.764 3.554) 6.066 4.149 ( -3.513 -6.762 2.907) 8.156 4.217 ( -3.046 -2.117 0.811) 3.797 4.500 ( 2.273 4.940 -18.785) 19.556 5.187 ( 0.090 -1.142 0.296) 1.183 5.779 ( -0.396 -0.431 -0.080) 0.591 5.935 ( 1.034 2.635 10.715) 11.082 6.084 ( -1.349 1.813 -2.559) 3.414 6.264 ( 4.310 2.796 -9.977) 11.222 6.761 ( 1.139 -1.780 3.842) 4.385 6.841 ( -0.904 0.888 0.367) 1.319 7.382 ( -2.982 -2.743 4.872) 6.337 7.622 ( 2.611 1.100 1.744) 3.327 7.753 ( -1.671 4.103 -7.467) 8.682 7.984 ( 0.012 -3.910 -1.004) 4.037 8.276 ( 4.659 5.816 -1.606) 7.623 8.315 ( 4.571 6.487 -1.504) 8.077 8.361 ( 0.683 4.412 -2.767) 5.253 10.570 ( -0.555 -7.542 8.614) 11.463 10.806 ( -4.535 -1.314 -2.854) 5.517 15.180 ( 2.847 3.390 1.635) 4.719 15.224 ( 1.480 3.881 -2.142) 4.673 15.661 ( 7.087 12.632 -1.990) 14.620 17.690 ( -4.225 -9.358 5.034) 11.435 17.999 ( -0.719 0.113 -5.823) 5.868 18.583 ( -0.292 -0.316 0.353) 0.557 ======================= Grid point 340 (70/80) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 1.601 -0.647 6.862) 7.076 1.625 ( 3.121 3.252 7.322) 8.598 1.971 ( -1.242 4.837 -0.143) 4.996 2.154 ( 1.436 -0.111 -8.377) 8.500 2.408 ( -3.691 -14.839 -2.361) 15.472 2.674 ( -4.224 -4.815 2.804) 6.992 2.850 ( -7.342 1.554 8.959) 11.687 3.128 ( 3.813 -2.191 -1.403) 4.616 3.269 ( -1.917 -1.946 6.118) 6.699 3.757 ( -3.541 0.729 -1.723) 4.004 3.987 ( -5.083 -7.995 4.654) 10.556 4.111 ( -4.376 -4.815 -1.748) 6.738 4.250 ( 9.814 8.019 7.695) 14.827 4.635 ( 4.216 8.812 -13.712) 16.836 5.164 ( -1.402 -1.701 -0.748) 2.328 5.775 ( -0.001 0.324 1.004) 1.055 5.968 ( -0.998 2.554 7.957) 8.416 6.111 ( 2.345 2.605 -2.755) 4.459 6.379 ( 5.247 3.326 -8.087) 10.198 6.737 ( -1.910 -2.294 3.980) 4.975 6.831 ( 0.118 -0.837 0.027) 0.845 7.298 ( -3.129 -3.029 4.779) 6.466 7.648 ( 0.140 -1.116 2.781) 3.000 7.698 ( -6.075 1.231 -3.140) 6.948 8.005 ( 5.593 -3.030 -3.118) 7.084 8.311 ( -2.612 2.392 2.514) 4.344 8.415 ( 3.163 1.433 -1.948) 3.981 8.610 ( 11.927 15.030 -6.866) 20.379 10.494 ( -2.249 -3.420 4.273) 5.917 10.723 ( -2.020 -3.063 0.212) 3.675 15.212 ( -3.200 6.064 0.074) 6.857 15.359 ( 9.703 1.060 -0.000) 9.761 15.904 ( 7.401 9.838 -1.865) 12.451 17.492 ( -5.915 -11.981 0.204) 13.363 18.001 ( -1.275 3.371 -2.622) 4.457 18.569 ( -0.473 -1.153 0.687) 1.423 ======================= Grid point 341 (71/80) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.204 -4.363 0.344) 4.539 1.722 ( 0.662 5.730 6.294) 8.537 2.016 ( 1.045 0.580 1.592) 1.991 2.094 ( 1.007 -6.181 -2.789) 6.855 2.355 ( 3.650 -1.024 -1.357) 4.027 2.573 ( -2.878 -2.273 0.118) 3.670 2.746 ( -6.119 1.842 7.520) 9.868 3.082 ( -3.430 -5.190 -0.650) 6.255 3.246 ( 1.530 -3.118 1.309) 3.712 3.678 ( -5.634 0.396 1.323) 5.801 3.850 ( -3.424 -4.510 3.471) 6.642 3.997 ( -3.032 -4.849 -6.154) 8.401 4.550 ( 13.609 9.052 7.675) 18.056 4.788 ( 3.579 8.623 -5.163) 10.669 5.102 ( -3.872 -1.762 -1.277) 4.442 5.773 ( -2.199 2.078 2.459) 3.899 5.955 ( -2.247 1.943 3.418) 4.528 6.202 ( 4.833 1.817 -2.686) 5.820 6.488 ( 3.611 2.397 -5.880) 7.305 6.661 ( -3.737 -1.800 4.549) 6.156 6.830 ( 1.384 -2.353 0.022) 2.730 7.230 ( -1.524 -2.244 3.577) 4.490 7.577 ( -5.415 0.009 1.030) 5.512 7.651 ( -0.915 -0.799 -0.937) 1.534 8.082 ( 5.897 -2.012 -3.013) 6.921 8.261 ( -4.789 1.188 2.870) 5.708 8.482 ( 3.404 0.135 -1.525) 3.733 8.946 ( 8.869 15.049 -6.055) 18.488 10.413 ( -4.704 -1.006 1.594) 5.067 10.690 ( 3.227 -5.808 1.128) 6.739 15.212 ( -3.499 5.803 0.015) 6.776 15.537 ( 9.323 1.098 0.491) 9.400 16.085 ( 4.544 5.866 0.025) 7.421 17.281 ( -3.677 -13.151 -3.676) 14.141 18.012 ( -3.125 6.204 -1.159) 7.043 18.551 ( 0.202 -1.749 0.994) 2.022 ======================= Grid point 342 (72/80) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.950 -6.398 -0.667) 7.077 1.727 ( -1.212 -0.934 4.106) 4.382 2.021 ( 2.775 -1.224 2.084) 3.680 2.122 ( -0.413 0.732 -2.197) 2.353 2.414 ( 2.969 1.565 3.286) 4.697 2.532 ( -2.072 1.167 -0.655) 2.466 2.704 ( -0.537 1.619 2.134) 2.732 2.972 ( -3.769 -2.714 4.149) 6.228 3.208 ( -0.126 -7.905 1.515) 8.050 3.648 ( 1.180 3.000 1.828) 3.706 3.766 ( -2.699 -1.741 2.061) 3.816 3.928 ( -0.267 -2.776 -10.436) 10.802 4.801 ( 5.832 3.697 1.744) 7.122 4.938 ( 4.883 7.138 3.886) 9.482 5.001 ( -5.734 -0.798 -0.436) 5.806 5.737 ( -5.132 4.604 2.512) 7.338 5.950 ( -0.429 1.729 0.722) 1.922 6.277 ( 2.641 -0.964 -2.577) 3.814 6.509 ( -2.731 0.477 0.468) 2.812 6.633 ( 1.824 0.580 -0.844) 2.092 6.821 ( 0.734 -3.701 2.738) 4.661 7.204 ( 0.445 -1.642 1.601) 2.336 7.517 ( -2.400 2.218 -0.006) 3.269 7.630 ( -0.346 -0.858 -1.639) 1.882 8.158 ( 4.587 -1.916 -2.433) 5.534 8.187 ( -4.352 1.403 2.718) 5.320 8.523 ( 1.984 -1.404 -1.014) 2.634 9.165 ( -0.501 12.906 -4.720) 13.751 10.331 ( -2.528 -1.910 1.628) 3.562 10.703 ( 4.951 -6.535 -0.015) 8.199 15.209 ( -3.396 5.694 0.134) 6.631 15.670 ( 4.916 -0.227 0.057) 4.922 16.172 ( 0.937 2.385 2.496) 3.577 17.136 ( 1.952 -12.004 -6.154) 13.630 18.015 ( -4.612 7.839 -0.367) 9.103 18.544 ( 1.120 -1.909 0.798) 2.353 ======================= Grid point 343 (73/80) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 4.379 -5.821 -1.553) 7.448 1.729 ( 3.879 -1.449 3.745) 5.583 2.024 ( -5.211 -0.796 3.059) 6.095 2.092 ( 0.446 0.885 -0.123) 0.998 2.427 ( -4.903 0.632 0.862) 5.018 2.554 ( 4.616 0.542 -0.908) 4.736 2.738 ( 1.538 2.650 -1.711) 3.509 2.925 ( 0.533 -1.138 8.386) 8.479 3.138 ( 1.013 -4.305 6.253) 7.659 3.710 ( 1.959 0.857 2.864) 3.574 3.762 ( 2.064 2.335 -3.469) 4.663 3.944 ( 4.684 -1.058 -10.905) 11.916 4.749 ( -10.415 -3.068 4.840) 11.887 4.977 ( 0.082 0.946 -0.476) 1.062 5.023 ( -0.353 2.845 0.399) 2.895 5.727 ( -2.051 6.492 2.857) 7.383 5.967 ( -0.037 2.383 -0.451) 2.425 6.263 ( -0.970 -3.831 -0.880) 4.049 6.467 ( -3.169 1.578 1.721) 3.936 6.685 ( 2.725 0.630 -3.360) 4.372 6.786 ( 0.119 -3.709 4.976) 6.208 7.207 ( 1.567 -1.089 2.206) 2.917 7.539 ( 1.204 3.153 -2.258) 4.061 7.635 ( 1.372 0.735 -2.224) 2.715 8.107 ( -2.659 -2.972 2.225) 4.567 8.238 ( 2.903 2.523 -1.795) 4.244 8.517 ( -0.256 -2.842 -0.545) 2.906 9.158 ( -11.569 6.709 -4.100) 13.988 10.310 ( 0.986 0.363 3.501) 3.655 10.723 ( 4.997 -6.686 -1.757) 8.530 15.208 ( -3.317 5.728 0.221) 6.623 15.677 ( -1.717 -4.179 -0.565) 4.553 16.170 ( -2.598 0.334 2.675) 3.744 17.128 ( 8.623 -7.784 -5.470) 12.840 18.012 ( -4.635 7.717 -0.090) 9.002 18.550 ( 1.565 -1.733 0.257) 2.349 ======================= Grid point 344 (74/80) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.624 -3.596 1.765) 4.054 1.768 ( -4.337 0.211 1.800) 4.700 1.972 ( 6.754 -1.094 4.620) 8.256 2.121 ( 1.535 0.832 -2.361) 2.936 2.306 ( -6.881 -2.414 0.725) 7.328 2.634 ( 5.448 -2.488 -3.741) 7.062 2.825 ( 3.083 6.550 2.311) 7.600 2.958 ( 3.998 -0.118 7.461) 8.466 3.172 ( 3.593 1.335 6.694) 7.714 3.777 ( 2.666 2.535 -4.088) 5.499 3.816 ( 3.975 0.871 2.352) 4.701 4.047 ( 7.592 -1.430 -7.906) 11.054 4.488 ( -14.608 -4.145 8.889) 17.595 4.868 ( -9.411 -2.615 -8.132) 12.710 5.085 ( 2.721 2.934 0.642) 4.052 5.764 ( -0.268 3.155 2.386) 3.965 5.991 ( -0.650 2.995 1.538) 3.429 6.196 ( -1.832 -3.986 -1.461) 4.624 6.414 ( -4.984 1.139 -0.716) 5.162 6.714 ( 0.734 -0.374 2.500) 2.632 6.788 ( 2.779 -0.728 0.511) 2.918 7.242 ( 3.273 -0.102 3.933) 5.118 7.590 ( 1.497 1.928 -1.532) 2.882 7.694 ( 3.216 2.525 -4.191) 5.855 8.032 ( -1.557 -5.003 1.487) 5.447 8.309 ( 1.564 3.868 -1.305) 4.372 8.462 ( -2.271 -3.615 -0.075) 4.270 8.932 ( -17.797 0.283 -4.630) 18.392 10.355 ( 1.609 3.649 6.393) 7.535 10.746 ( 4.938 -5.681 -3.374) 8.248 15.208 ( -3.398 5.833 0.337) 6.759 15.548 ( -5.559 -7.732 -0.543) 9.539 16.086 ( -7.181 -0.967 0.039) 7.246 17.263 ( 12.554 -2.713 -2.028) 13.003 18.010 ( -3.437 5.717 -0.886) 6.729 18.561 ( 1.487 -1.304 -0.017) 1.978 ======================= Grid point 345 (75/80) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -2.328 1.808 9.000) 9.470 1.664 ( -2.464 -3.798 5.518) 7.138 2.018 ( -3.981 -0.413 -2.443) 4.689 2.159 ( -2.157 -1.637 -10.354) 10.702 2.330 ( 16.046 3.126 4.504) 16.956 2.707 ( 5.897 -2.164 0.777) 6.329 2.917 ( 2.062 2.204 6.287) 6.973 3.042 ( 2.135 2.560 2.796) 4.351 3.252 ( 3.273 2.101 6.397) 7.487 3.792 ( -0.542 0.150 -4.016) 4.056 3.966 ( 9.717 2.088 5.324) 11.275 4.150 ( 5.900 -1.816 -3.404) 7.049 4.227 ( -10.574 -2.261 7.807) 13.337 4.663 ( -10.856 -2.123 -14.660) 18.366 5.150 ( 2.141 1.603 0.544) 2.729 5.774 ( -0.029 0.237 0.584) 0.631 5.985 ( -2.464 0.653 7.019) 7.468 6.133 ( -1.657 -2.754 -2.852) 4.297 6.331 ( -5.713 1.639 -5.843) 8.335 6.730 ( 1.112 0.639 4.815) 4.983 6.831 ( 2.035 -0.142 -0.450) 2.090 7.311 ( 4.633 0.021 4.692) 6.594 7.623 ( 0.208 1.513 0.620) 1.648 7.769 ( 2.490 1.104 -6.165) 6.740 7.965 ( -0.111 -4.389 0.481) 4.417 8.351 ( -1.638 3.283 0.041) 3.669 8.379 ( -3.268 -2.536 -0.350) 4.151 8.604 ( -18.105 -2.116 -5.870) 19.150 10.437 ( 3.641 4.502 8.221) 10.056 10.778 ( 4.142 -3.881 -3.545) 6.692 15.206 ( -3.710 5.786 0.594) 6.899 15.366 ( -5.918 -8.056 -0.689) 10.020 15.906 ( -12.127 -1.660 -2.049) 12.411 17.477 ( 13.015 0.634 1.613) 13.130 18.005 ( -1.767 2.361 -2.912) 4.144 18.574 ( 1.082 -0.630 0.175) 1.265 ======================= Grid point 350 (76/80) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.923 -3.514 1.954) 4.125 1.761 ( 3.725 9.110 5.002) 11.040 1.987 ( -2.942 -10.342 2.806) 11.112 2.082 ( -4.255 -0.679 -2.164) 4.822 2.294 ( 4.759 4.744 -2.199) 7.071 2.592 ( -3.451 -3.247 -0.037) 4.738 2.858 ( -4.701 -0.869 8.747) 9.968 3.022 ( 2.235 -7.294 -4.458) 8.836 3.207 ( -0.568 -4.574 7.724) 8.995 3.771 ( -4.593 -1.122 -0.328) 4.739 3.844 ( -1.175 -4.907 -1.760) 5.344 4.004 ( -5.100 -5.781 -3.511) 8.471 4.461 ( 9.419 13.133 8.539) 18.278 4.823 ( 3.005 9.388 -7.985) 12.685 5.123 ( -0.699 -2.332 -0.160) 2.440 5.800 ( 1.571 2.059 0.864) 2.730 6.021 ( -0.992 2.273 6.903) 7.335 6.148 ( 1.799 1.177 -4.140) 4.665 6.448 ( 4.457 3.605 -4.024) 7.004 6.699 ( -2.305 -1.430 4.790) 5.505 6.789 ( -0.484 -3.200 -0.665) 3.305 7.236 ( -2.166 -3.026 2.787) 4.649 7.615 ( -0.498 -1.934 2.441) 3.153 7.706 ( -4.126 -1.134 -4.194) 5.992 7.979 ( 3.078 1.134 -1.816) 3.749 8.364 ( -3.967 2.183 1.644) 4.818 8.407 ( 3.630 -1.367 -1.355) 4.109 8.945 ( 11.014 18.154 -5.075) 21.832 10.443 ( 2.294 -2.418 6.175) 7.017 10.634 ( -6.729 -5.413 -3.236) 9.222 15.345 ( 3.471 3.467 0.585) 4.941 15.390 ( 1.630 5.806 -0.348) 6.040 16.077 ( 4.139 7.200 -0.226) 8.308 17.235 ( -7.121 -13.363 -2.683) 15.377 18.079 ( 2.532 4.096 -1.016) 4.921 18.539 ( -1.381 -1.696 0.458) 2.234 ======================= Grid point 351 (77/80) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.518 -6.774 -0.780) 6.839 1.773 ( -5.695 -3.464 3.967) 7.757 1.928 ( 4.803 -1.426 1.968) 5.382 2.100 ( 2.962 2.132 -0.513) 3.685 2.407 ( 1.812 5.198 3.303) 6.420 2.553 ( 0.403 0.675 -2.129) 2.269 2.777 ( -4.378 1.526 5.937) 7.533 2.976 ( 0.005 -5.238 -1.934) 5.584 3.133 ( -1.319 -7.656 5.782) 9.685 3.680 ( -2.803 -0.144 1.384) 3.129 3.787 ( -2.481 -2.064 -3.134) 4.499 3.896 ( -0.849 -5.257 -5.902) 7.949 4.747 ( 8.424 10.615 5.443) 14.604 4.942 ( 2.430 6.052 -1.088) 6.612 5.075 ( -3.199 -0.930 -0.383) 3.354 5.854 ( -0.378 5.831 1.511) 6.035 5.997 ( -3.291 2.043 4.023) 5.584 6.206 ( 3.971 -1.412 -2.785) 5.052 6.536 ( 1.692 2.564 -1.817) 3.569 6.635 ( -2.593 -0.953 3.096) 4.149 6.757 ( 1.066 -4.745 0.579) 4.898 7.186 ( -0.683 -2.056 0.210) 2.177 7.576 ( -2.086 -0.558 2.727) 3.478 7.643 ( -2.209 -0.011 -3.644) 4.261 8.059 ( 4.754 0.202 -2.361) 5.311 8.298 ( -5.649 2.260 1.787) 6.342 8.451 ( 3.636 -2.867 -1.084) 4.756 9.290 ( 6.381 19.316 -3.347) 20.616 10.384 ( -7.107 -3.979 1.025) 8.209 10.528 ( 4.719 -8.745 0.054) 9.937 15.360 ( -5.109 8.529 0.039) 9.942 15.547 ( 8.965 0.272 0.347) 8.976 16.178 ( 1.650 3.217 2.997) 4.696 17.007 ( -3.040 -13.458 -6.762) 15.365 18.153 ( -0.944 7.497 -0.333) 7.564 18.502 ( 0.082 -3.201 0.700) 3.277 ======================= Grid point 352 (78/80) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.815 -6.361 -1.514) 7.570 1.688 ( -0.803 -0.649 4.461) 4.579 1.984 ( 4.960 -4.761 0.547) 6.897 2.130 ( -2.114 0.835 -0.271) 2.289 2.475 ( 0.444 3.528 5.354) 6.427 2.563 ( -1.942 1.784 -2.527) 3.652 2.760 ( -0.657 4.551 1.398) 4.806 2.921 ( -2.096 -2.694 5.740) 6.678 3.052 ( 2.399 -6.667 3.993) 8.133 3.685 ( 1.415 1.053 1.417) 2.262 3.747 ( 0.622 -0.591 -4.278) 4.364 3.863 ( 2.081 -3.806 -7.564) 8.719 4.878 ( -3.605 3.949 2.226) 5.792 5.003 ( -2.278 0.427 2.652) 3.522 5.039 ( 1.888 3.014 0.125) 3.559 5.874 ( -5.461 7.869 2.927) 10.015 5.990 ( 0.446 2.433 0.651) 2.557 6.223 ( 1.003 -4.193 -0.269) 4.320 6.539 ( -2.789 2.343 1.205) 3.837 6.640 ( 2.743 0.242 -1.684) 3.228 6.726 ( 1.233 -5.356 3.065) 6.293 7.171 ( 0.866 -1.396 -0.947) 1.897 7.557 ( -0.226 1.028 1.534) 1.861 7.629 ( 0.036 0.891 -3.638) 3.746 8.104 ( 0.085 -2.248 -1.398) 2.649 8.258 ( -1.338 4.619 0.816) 4.877 8.466 ( 1.954 -4.115 -0.600) 4.594 9.461 ( -9.333 15.805 -1.908) 18.454 10.267 ( 2.196 -5.173 -0.507) 5.642 10.541 ( 5.515 -8.190 0.450) 9.884 15.357 ( -5.095 8.694 0.178) 10.078 15.638 ( 2.091 -3.141 -0.207) 3.779 16.204 ( -0.537 0.766 5.521) 5.600 16.906 ( 5.445 -9.715 -8.964) 14.296 18.182 ( -4.928 8.184 0.113) 9.553 18.488 ( 2.379 -3.698 0.460) 4.421 ======================= Grid point 354 (79/80) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.804 -3.122 -0.800) 6.639 1.750 ( 6.525 3.457 4.977) 8.905 1.957 ( -3.683 -5.479 0.558) 6.626 2.090 ( -0.852 -0.436 0.572) 1.115 2.427 ( -7.090 -0.581 1.281) 7.228 2.555 ( 0.809 -0.298 -2.337) 2.491 2.823 ( 1.926 2.592 5.454) 6.338 2.901 ( 2.917 1.135 1.008) 3.289 3.102 ( 5.797 0.421 7.585) 9.556 3.717 ( 3.111 -0.760 3.033) 4.411 3.792 ( 2.274 1.082 -8.367) 8.738 3.900 ( 6.255 -2.688 -5.305) 8.631 4.723 ( -14.255 0.334 6.217) 15.555 4.968 ( -4.302 -1.348 -2.329) 5.075 5.079 ( 1.110 1.882 -0.146) 2.189 5.843 ( -4.615 3.877 2.049) 6.366 6.030 ( 0.092 2.811 2.264) 3.611 6.179 ( -0.830 -3.343 -1.009) 3.589 6.509 ( -3.884 2.235 -0.513) 4.510 6.684 ( 1.762 -1.836 3.251) 4.128 6.722 ( 3.573 -0.875 -0.349) 3.696 7.188 ( 2.323 -0.625 0.561) 2.470 7.579 ( 1.444 0.775 1.520) 2.235 7.662 ( 2.418 0.993 -4.586) 5.279 8.039 ( -3.476 -2.245 -0.530) 4.172 8.324 ( 1.932 4.925 -0.418) 5.307 8.437 ( -0.055 -4.722 0.038) 4.722 9.285 ( -20.178 4.527 -2.933) 20.886 10.354 ( 5.133 4.530 3.421) 7.653 10.558 ( 7.028 -8.781 -2.275) 11.475 15.357 ( -4.946 8.583 0.299) 9.910 15.554 ( -4.481 -7.841 -0.253) 9.034 16.177 ( -3.583 0.270 3.127) 4.764 17.003 ( 12.882 -3.714 -6.398) 14.855 18.150 ( -6.079 4.800 0.020) 7.745 18.507 ( 2.891 -2.020 0.232) 3.534 ======================= Grid point 362 (80/80) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -2.080 -3.586 -1.397) 4.374 1.707 ( -0.119 -1.376 7.588) 7.713 1.896 ( -2.172 -2.147 -4.041) 5.065 2.146 ( 1.363 1.698 0.190) 2.185 2.505 ( 1.135 3.211 5.537) 6.501 2.585 ( 1.037 1.547 -1.683) 2.510 2.834 ( -0.770 4.499 5.874) 7.439 2.892 ( 3.219 -2.882 -0.241) 4.327 2.981 ( -4.273 -6.645 6.172) 10.025 3.687 ( -0.255 0.791 1.865) 2.041 3.747 ( -1.558 -2.264 -8.103) 8.557 3.811 ( -1.079 -2.401 -5.007) 5.657 4.932 ( 4.299 6.948 3.502) 8.889 5.007 ( 1.358 1.062 1.531) 2.305 5.059 ( -1.919 -1.402 -0.186) 2.384 5.968 ( 3.993 4.662 2.034) 6.467 6.029 ( -1.964 0.666 2.944) 3.601 6.161 ( -0.067 -2.227 -0.357) 2.257 6.585 ( 2.586 2.011 -0.244) 3.285 6.626 ( -3.025 0.364 2.774) 4.120 6.664 ( -0.501 -4.137 -0.149) 4.170 7.156 ( -0.488 -0.822 -2.143) 2.346 7.562 ( -0.358 -0.529 2.889) 2.958 7.641 ( -0.357 -0.223 -4.950) 4.968 8.085 ( 1.213 1.571 -1.519) 2.500 8.327 ( -0.585 0.159 1.717) 1.821 8.399 ( -0.308 -1.356 -1.454) 2.011 9.667 ( 9.854 16.960 1.107) 19.646 10.172 ( -7.747 -13.826 -5.633) 16.820 10.453 ( -0.647 -0.708 2.922) 3.075 15.497 ( 2.295 3.650 -0.016) 4.311 15.561 ( 0.534 1.361 0.004) 1.462 16.209 ( 0.170 0.227 7.608) 7.613 16.804 ( -3.350 -5.869 -11.121) 13.014 18.289 ( 3.454 5.749 0.318) 6.714 18.427 ( -2.513 -4.104 0.350) 4.825 =================== 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 10.0 921.335 921.335 609.895 0.000 -0.000 0.000 3/25200 20.0 141.586 141.586 128.451 0.000 -0.000 0.000 3/25200 30.0 64.253 64.253 64.310 0.000 -0.000 0.000 3/25200 40.0 38.886 38.886 40.677 0.000 -0.000 0.000 3/25200 50.0 26.549 26.549 28.456 0.000 -0.000 0.000 3/25200 60.0 19.538 19.538 21.278 0.000 -0.000 0.000 3/25200 70.0 15.175 15.175 16.719 0.000 -0.000 0.000 3/25200 80.0 12.275 12.275 13.649 0.000 -0.000 0.000 3/25200 90.0 10.247 10.247 11.479 0.000 -0.000 0.000 3/25200 100.0 8.767 8.767 9.882 0.000 -0.000 0.000 3/25200 110.0 7.647 7.647 8.664 0.000 -0.000 0.000 3/25200 120.0 6.775 6.775 7.710 0.000 -0.000 0.000 3/25200 130.0 6.079 6.079 6.943 0.000 -0.000 0.000 3/25200 140.0 5.511 5.511 6.314 0.000 -0.000 0.000 3/25200 150.0 5.040 5.040 5.790 0.000 -0.000 0.000 3/25200 160.0 4.644 4.644 5.347 0.000 -0.000 0.000 3/25200 170.0 4.305 4.305 4.966 0.000 -0.000 0.000 3/25200 180.0 4.013 4.013 4.637 0.000 -0.000 0.000 3/25200 190.0 3.758 3.758 4.349 0.000 -0.000 0.000 3/25200 200.0 3.534 3.534 4.096 0.000 -0.000 0.000 3/25200 210.0 3.336 3.336 3.870 0.000 -0.000 0.000 3/25200 220.0 3.159 3.159 3.668 0.000 -0.000 0.000 3/25200 230.0 3.000 3.000 3.487 0.000 -0.000 0.000 3/25200 240.0 2.857 2.857 3.323 0.000 -0.000 0.000 3/25200 250.0 2.727 2.727 3.174 0.000 -0.000 0.000 3/25200 260.0 2.609 2.609 3.038 0.000 -0.000 0.000 3/25200 270.0 2.500 2.500 2.914 0.000 -0.000 0.000 3/25200 280.0 2.401 2.401 2.799 0.000 -0.000 0.000 3/25200 290.0 2.309 2.309 2.693 0.000 -0.000 0.000 3/25200 300.0 2.224 2.224 2.596 0.000 -0.000 0.000 3/25200 310.0 2.145 2.145 2.505 0.000 -0.000 0.000 3/25200 320.0 2.072 2.072 2.420 0.000 -0.000 0.000 3/25200 330.0 2.004 2.004 2.341 0.000 -0.000 0.000 3/25200 340.0 1.940 1.940 2.267 0.000 -0.000 0.000 3/25200 350.0 1.880 1.880 2.198 0.000 -0.000 0.000 3/25200 360.0 1.824 1.824 2.133 0.000 -0.000 0.000 3/25200 370.0 1.771 1.771 2.072 0.000 -0.000 0.000 3/25200 380.0 1.721 1.721 2.014 0.000 -0.000 0.000 3/25200 390.0 1.674 1.674 1.959 0.000 -0.000 0.000 3/25200 400.0 1.630 1.630 1.908 0.000 -0.000 0.000 3/25200 410.0 1.588 1.588 1.859 0.000 -0.000 0.000 3/25200 420.0 1.548 1.548 1.812 0.000 -0.000 0.000 3/25200 430.0 1.510 1.510 1.768 0.000 -0.000 0.000 3/25200 440.0 1.474 1.474 1.726 0.000 -0.000 0.000 3/25200 450.0 1.439 1.439 1.686 0.000 -0.000 0.000 3/25200 460.0 1.407 1.407 1.648 0.000 -0.000 0.000 3/25200 470.0 1.375 1.375 1.611 0.000 -0.000 0.000 3/25200 480.0 1.345 1.345 1.576 0.000 -0.000 0.000 3/25200 490.0 1.317 1.317 1.543 0.000 -0.000 0.000 3/25200 500.0 1.289 1.289 1.511 0.000 -0.000 0.000 3/25200 510.0 1.263 1.263 1.480 0.000 -0.000 0.000 3/25200 520.0 1.238 1.238 1.451 0.000 -0.000 0.000 3/25200 530.0 1.214 1.214 1.423 0.000 -0.000 0.000 3/25200 540.0 1.190 1.190 1.396 0.000 -0.000 0.000 3/25200 550.0 1.168 1.168 1.369 0.000 -0.000 0.000 3/25200 560.0 1.147 1.147 1.344 0.000 -0.000 0.000 3/25200 570.0 1.126 1.126 1.320 0.000 -0.000 0.000 3/25200 580.0 1.106 1.106 1.297 0.000 -0.000 0.000 3/25200 590.0 1.086 1.086 1.274 0.000 -0.000 0.000 3/25200 600.0 1.068 1.068 1.252 0.000 -0.000 0.000 3/25200 610.0 1.050 1.050 1.231 0.000 -0.000 0.000 3/25200 620.0 1.032 1.032 1.211 0.000 -0.000 0.000 3/25200 630.0 1.016 1.016 1.191 0.000 -0.000 0.000 3/25200 640.0 0.999 0.999 1.172 0.000 -0.000 0.000 3/25200 650.0 0.984 0.984 1.154 0.000 -0.000 0.000 3/25200 660.0 0.968 0.968 1.136 0.000 -0.000 0.000 3/25200 670.0 0.954 0.954 1.119 0.000 -0.000 0.000 3/25200 680.0 0.939 0.939 1.102 0.000 -0.000 0.000 3/25200 690.0 0.925 0.925 1.086 0.000 -0.000 0.000 3/25200 700.0 0.912 0.912 1.070 0.000 -0.000 0.000 3/25200 710.0 0.899 0.899 1.055 0.000 -0.000 0.000 3/25200 720.0 0.886 0.886 1.040 0.000 -0.000 0.000 3/25200 730.0 0.874 0.874 1.025 0.000 -0.000 0.000 3/25200 740.0 0.862 0.862 1.011 0.000 -0.000 0.000 3/25200 750.0 0.850 0.850 0.997 0.000 -0.000 0.000 3/25200 760.0 0.838 0.838 0.984 0.000 -0.000 0.000 3/25200 770.0 0.827 0.827 0.971 0.000 -0.000 0.000 3/25200 780.0 0.817 0.817 0.958 0.000 -0.000 0.000 3/25200 790.0 0.806 0.806 0.946 0.000 -0.000 0.000 3/25200 800.0 0.796 0.796 0.934 0.000 -0.000 0.000 3/25200 810.0 0.786 0.786 0.923 0.000 -0.000 0.000 3/25200 820.0 0.776 0.776 0.911 0.000 -0.000 0.000 3/25200 830.0 0.767 0.767 0.900 0.000 -0.000 0.000 3/25200 840.0 0.757 0.757 0.889 0.000 -0.000 0.000 3/25200 850.0 0.748 0.748 0.879 0.000 -0.000 0.000 3/25200 860.0 0.740 0.740 0.868 0.000 -0.000 0.000 3/25200 870.0 0.731 0.731 0.858 0.000 -0.000 0.000 3/25200 880.0 0.723 0.723 0.848 0.000 -0.000 0.000 3/25200 890.0 0.714 0.714 0.839 0.000 -0.000 0.000 3/25200 900.0 0.706 0.706 0.829 0.000 -0.000 0.000 3/25200 910.0 0.698 0.698 0.820 0.000 -0.000 0.000 3/25200 920.0 0.691 0.691 0.811 0.000 -0.000 0.000 3/25200 930.0 0.683 0.683 0.802 0.000 -0.000 0.000 3/25200 940.0 0.676 0.676 0.794 0.000 -0.000 0.000 3/25200 950.0 0.669 0.669 0.785 0.000 -0.000 0.000 3/25200 960.0 0.662 0.662 0.777 0.000 -0.000 0.000 3/25200 970.0 0.655 0.655 0.769 0.000 -0.000 0.000 3/25200 980.0 0.648 0.648 0.761 0.000 -0.000 0.000 3/25200 990.0 0.641 0.641 0.753 0.000 -0.000 0.000 3/25200 1000.0 0.635 0.635 0.746 0.000 -0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|