----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:43:19]------------------------- 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 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.013845480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.332775850000001 Atomic positions (fractional): *1 Sr 0.06663673092593 0.67929508507828 0.50000000000000 87.620 2 Sr 0.43336326907407 0.17929508507828 0.50000000000000 87.620 3 Sr 0.56663673092593 0.82070491492172 0.50000000000000 87.620 4 Sr 0.93336326907407 0.32070491492172 0.50000000000000 87.620 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 *7 O 0.13152760529908 0.18554913552469 0.00000000000000 15.999 *8 O 0.21250546520927 0.95414328866994 0.50000000000000 15.999 9 O 0.28749453479073 0.45414328866994 0.50000000000000 15.999 10 O 0.36847239470092 0.68554913552469 0.00000000000000 15.999 11 O 0.63152760529908 0.31445086447531 0.00000000000000 15.999 12 O 0.71250546520927 0.54585671133006 0.50000000000000 15.999 13 O 0.78749453479073 0.04585671133006 0.50000000000000 15.999 14 O 0.86847239470092 0.81445086447531 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.013845480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.332775850000001 Atomic positions (fractional): *1 Sr 0.06663673092593 0.67929508507828 0.50000000000000 87.620 > 1 2 Sr 0.43336326907407 0.17929508507828 0.50000000000000 87.620 > 2 3 Sr 0.56663673092593 0.82070491492172 0.50000000000000 87.620 > 3 4 Sr 0.93336326907407 0.32070491492172 0.50000000000000 87.620 > 4 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 6 *7 O 0.13152760529908 0.18554913552469 0.00000000000000 15.999 > 7 *8 O 0.21250546520927 0.95414328866994 0.50000000000000 15.999 > 8 9 O 0.28749453479073 0.45414328866994 0.50000000000000 15.999 > 9 10 O 0.36847239470092 0.68554913552469 0.00000000000000 15.999 > 10 11 O 0.63152760529908 0.31445086447531 0.00000000000000 15.999 > 11 12 O 0.71250546520927 0.54585671133006 0.50000000000000 15.999 > 12 13 O 0.78749453479073 0.04585671133006 0.50000000000000 15.999 > 13 14 O 0.86847239470092 0.81445086447531 0.00000000000000 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.027690960000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.331103400000003 Atomic positions (fractional): *1 Sr 0.03331836546297 0.67929508507828 0.12500000000000 87.620 > 1 2 Sr 0.53331836546296 0.67929508507828 0.12500000000000 87.620 > 1 3 Sr 0.03331836546297 0.67929508507828 0.37500000000000 87.620 > 1 4 Sr 0.53331836546296 0.67929508507828 0.37500000000000 87.620 > 1 5 Sr 0.03331836546297 0.67929508507828 0.62500000000000 87.620 > 1 6 Sr 0.53331836546296 0.67929508507828 0.62500000000000 87.620 > 1 7 Sr 0.03331836546297 0.67929508507828 0.87500000000000 87.620 > 1 8 Sr 0.53331836546296 0.67929508507828 0.87500000000000 87.620 > 1 9 Sr 0.21668163453704 0.17929508507828 0.12500000000000 87.620 > 2 10 Sr 0.71668163453704 0.17929508507828 0.12500000000000 87.620 > 2 11 Sr 0.21668163453704 0.17929508507828 0.37500000000000 87.620 > 2 12 Sr 0.71668163453704 0.17929508507828 0.37500000000000 87.620 > 2 13 Sr 0.21668163453704 0.17929508507828 0.62500000000000 87.620 > 2 14 Sr 0.71668163453704 0.17929508507828 0.62500000000000 87.620 > 2 15 Sr 0.21668163453704 0.17929508507828 0.87500000000000 87.620 > 2 16 Sr 0.71668163453704 0.17929508507828 0.87500000000000 87.620 > 2 17 Sr 0.28331836546297 0.82070491492172 0.12500000000000 87.620 > 3 18 Sr 0.78331836546296 0.82070491492172 0.12500000000000 87.620 > 3 19 Sr 0.28331836546297 0.82070491492172 0.37500000000000 87.620 > 3 20 Sr 0.78331836546296 0.82070491492172 0.37500000000000 87.620 > 3 21 Sr 0.28331836546297 0.82070491492172 0.62500000000000 87.620 > 3 22 Sr 0.78331836546296 0.82070491492172 0.62500000000000 87.620 > 3 23 Sr 0.28331836546297 0.82070491492172 0.87500000000000 87.620 > 3 24 Sr 0.78331836546296 0.82070491492172 0.87500000000000 87.620 > 3 25 Sr 0.46668163453703 0.32070491492172 0.12500000000000 87.620 > 4 26 Sr 0.96668163453704 0.32070491492172 0.12500000000000 87.620 > 4 27 Sr 0.46668163453703 0.32070491492172 0.37500000000000 87.620 > 4 28 Sr 0.96668163453704 0.32070491492172 0.37500000000000 87.620 > 4 29 Sr 0.46668163453703 0.32070491492172 0.62500000000000 87.620 > 4 30 Sr 0.96668163453704 0.32070491492172 0.62500000000000 87.620 > 4 31 Sr 0.46668163453703 0.32070491492172 0.87500000000000 87.620 > 4 32 Sr 0.96668163453704 0.32070491492172 0.87500000000000 87.620 > 4 *33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 5 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 5 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 5 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 5 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 5 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 5 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 6 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 6 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 6 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 6 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 6 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 6 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 6 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 6 *49 O 0.06576380264954 0.18554913552469 0.00000000000000 15.999 > 7 50 O 0.56576380264954 0.18554913552469 0.00000000000000 15.999 > 7 51 O 0.06576380264954 0.18554913552469 0.25000000000000 15.999 > 7 52 O 0.56576380264954 0.18554913552469 0.25000000000000 15.999 > 7 53 O 0.06576380264954 0.18554913552469 0.50000000000000 15.999 > 7 54 O 0.56576380264954 0.18554913552469 0.50000000000000 15.999 > 7 55 O 0.06576380264954 0.18554913552469 0.75000000000000 15.999 > 7 56 O 0.56576380264954 0.18554913552469 0.75000000000000 15.999 > 7 *57 O 0.10625273260463 0.95414328866994 0.12500000000000 15.999 > 8 58 O 0.60625273260463 0.95414328866994 0.12500000000000 15.999 > 8 59 O 0.10625273260463 0.95414328866994 0.37500000000000 15.999 > 8 60 O 0.60625273260463 0.95414328866994 0.37500000000000 15.999 > 8 61 O 0.10625273260463 0.95414328866994 0.62500000000000 15.999 > 8 62 O 0.60625273260463 0.95414328866994 0.62500000000000 15.999 > 8 63 O 0.10625273260463 0.95414328866994 0.87500000000000 15.999 > 8 64 O 0.60625273260463 0.95414328866994 0.87500000000000 15.999 > 8 65 O 0.14374726739537 0.45414328866994 0.12500000000000 15.999 > 9 66 O 0.64374726739537 0.45414328866994 0.12500000000000 15.999 > 9 67 O 0.14374726739537 0.45414328866994 0.37500000000000 15.999 > 9 68 O 0.64374726739537 0.45414328866994 0.37500000000000 15.999 > 9 69 O 0.14374726739537 0.45414328866994 0.62500000000000 15.999 > 9 70 O 0.64374726739537 0.45414328866994 0.62500000000000 15.999 > 9 71 O 0.14374726739537 0.45414328866994 0.87500000000000 15.999 > 9 72 O 0.64374726739537 0.45414328866994 0.87500000000000 15.999 > 9 73 O 0.18423619735046 0.68554913552469 0.00000000000000 15.999 > 10 74 O 0.68423619735046 0.68554913552469 0.00000000000000 15.999 > 10 75 O 0.18423619735046 0.68554913552469 0.25000000000000 15.999 > 10 76 O 0.68423619735046 0.68554913552469 0.25000000000000 15.999 > 10 77 O 0.18423619735046 0.68554913552469 0.50000000000000 15.999 > 10 78 O 0.68423619735046 0.68554913552469 0.50000000000000 15.999 > 10 79 O 0.18423619735046 0.68554913552469 0.75000000000000 15.999 > 10 80 O 0.68423619735046 0.68554913552469 0.75000000000000 15.999 > 10 81 O 0.31576380264954 0.31445086447531 0.00000000000000 15.999 > 11 82 O 0.81576380264954 0.31445086447531 0.00000000000000 15.999 > 11 83 O 0.31576380264954 0.31445086447531 0.25000000000000 15.999 > 11 84 O 0.81576380264954 0.31445086447531 0.25000000000000 15.999 > 11 85 O 0.31576380264954 0.31445086447531 0.50000000000000 15.999 > 11 86 O 0.81576380264954 0.31445086447531 0.50000000000000 15.999 > 11 87 O 0.31576380264954 0.31445086447531 0.75000000000000 15.999 > 11 88 O 0.81576380264954 0.31445086447531 0.75000000000000 15.999 > 11 89 O 0.35625273260463 0.54585671133006 0.12500000000000 15.999 > 12 90 O 0.85625273260463 0.54585671133006 0.12500000000000 15.999 > 12 91 O 0.35625273260463 0.54585671133006 0.37500000000000 15.999 > 12 92 O 0.85625273260463 0.54585671133006 0.37500000000000 15.999 > 12 93 O 0.35625273260463 0.54585671133006 0.62500000000000 15.999 > 12 94 O 0.85625273260463 0.54585671133006 0.62500000000000 15.999 > 12 95 O 0.35625273260463 0.54585671133006 0.87500000000000 15.999 > 12 96 O 0.85625273260463 0.54585671133006 0.87500000000000 15.999 > 12 97 O 0.39374726739537 0.04585671133006 0.12500000000000 15.999 > 13 98 O 0.89374726739537 0.04585671133006 0.12500000000000 15.999 > 13 99 O 0.39374726739537 0.04585671133006 0.37500000000000 15.999 > 13 100 O 0.89374726739537 0.04585671133006 0.37500000000000 15.999 > 13 101 O 0.39374726739537 0.04585671133006 0.62500000000000 15.999 > 13 102 O 0.89374726739537 0.04585671133006 0.62500000000000 15.999 > 13 103 O 0.39374726739537 0.04585671133006 0.87500000000000 15.999 > 13 104 O 0.89374726739537 0.04585671133006 0.87500000000000 15.999 > 13 105 O 0.43423619735046 0.81445086447531 0.00000000000000 15.999 > 14 106 O 0.93423619735046 0.81445086447531 0.00000000000000 15.999 > 14 107 O 0.43423619735046 0.81445086447531 0.25000000000000 15.999 > 14 108 O 0.93423619735046 0.81445086447531 0.25000000000000 15.999 > 14 109 O 0.43423619735046 0.81445086447531 0.50000000000000 15.999 > 14 110 O 0.93423619735046 0.81445086447531 0.50000000000000 15.999 > 14 111 O 0.43423619735046 0.81445086447531 0.75000000000000 15.999 > 14 112 O 0.93423619735046 0.81445086447531 0.75000000000000 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9272582 0.0000000 0.0000000 0.0000000 3.9332179 0.0000000 0.0000000 0.0000000 4.2859951 -------------------------- Born effective charges -------------------------- 1 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 2 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 3 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 4 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 5 Hf 3.5679389 0.3866412 0.0000000 0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 6 Hf 3.5679389 -0.3866412 0.0000000 -0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 7 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 8 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 9 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 10 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 11 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 12 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 13 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 14 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1007 Number of blocks in projector: 1007 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 145 Use standard eigh solver. Tree of FC basis block matrices: - (1007, 987), data: False |-- (145, 145), data: True |-- (145, 145), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (249, 241), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.019 Solver_block: 200 / 240 - Time: 1.028 Solver_block: 240 / 240 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.543 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1007 Number of blocks in projector: 1007 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 145 Use standard eigh solver. Tree of FC basis block matrices: - (1007, 987), data: False |-- (145, 145), data: True |-- (145, 145), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (249, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:43:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:43:32]------------------------- 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 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.013845480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.332775850000001 Atomic positions (fractional): 1 Sr 0.06663673092593 0.67929508507828 0.50000000000000 87.620 2 Sr 0.43336326907407 0.17929508507828 0.50000000000000 87.620 3 Sr 0.56663673092593 0.82070491492172 0.50000000000000 87.620 4 Sr 0.93336326907407 0.32070491492172 0.50000000000000 87.620 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 7 O 0.13152760529908 0.18554913552469 0.00000000000000 15.999 8 O 0.21250546520927 0.95414328866994 0.50000000000000 15.999 9 O 0.28749453479073 0.45414328866994 0.50000000000000 15.999 10 O 0.36847239470092 0.68554913552469 0.00000000000000 15.999 11 O 0.63152760529908 0.31445086447531 0.00000000000000 15.999 12 O 0.71250546520927 0.54585671133006 0.50000000000000 15.999 13 O 0.78749453479073 0.04585671133006 0.50000000000000 15.999 14 O 0.86847239470092 0.81445086447531 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.027690960000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.331103400000003 Atomic positions (fractional): 1 Sr 0.03331836546297 0.67929508507828 0.12500000000000 87.620 > 1 2 Sr 0.53331836546296 0.67929508507828 0.12500000000000 87.620 > 1 3 Sr 0.03331836546297 0.67929508507828 0.37500000000000 87.620 > 1 4 Sr 0.53331836546296 0.67929508507828 0.37500000000000 87.620 > 1 5 Sr 0.03331836546297 0.67929508507828 0.62500000000000 87.620 > 1 6 Sr 0.53331836546296 0.67929508507828 0.62500000000000 87.620 > 1 7 Sr 0.03331836546297 0.67929508507828 0.87500000000000 87.620 > 1 8 Sr 0.53331836546296 0.67929508507828 0.87500000000000 87.620 > 1 9 Sr 0.21668163453704 0.17929508507828 0.12500000000000 87.620 > 9 10 Sr 0.71668163453704 0.17929508507828 0.12500000000000 87.620 > 9 11 Sr 0.21668163453704 0.17929508507828 0.37500000000000 87.620 > 9 12 Sr 0.71668163453704 0.17929508507828 0.37500000000000 87.620 > 9 13 Sr 0.21668163453704 0.17929508507828 0.62500000000000 87.620 > 9 14 Sr 0.71668163453704 0.17929508507828 0.62500000000000 87.620 > 9 15 Sr 0.21668163453704 0.17929508507828 0.87500000000000 87.620 > 9 16 Sr 0.71668163453704 0.17929508507828 0.87500000000000 87.620 > 9 17 Sr 0.28331836546297 0.82070491492172 0.12500000000000 87.620 > 17 18 Sr 0.78331836546296 0.82070491492172 0.12500000000000 87.620 > 17 19 Sr 0.28331836546297 0.82070491492172 0.37500000000000 87.620 > 17 20 Sr 0.78331836546296 0.82070491492172 0.37500000000000 87.620 > 17 21 Sr 0.28331836546297 0.82070491492172 0.62500000000000 87.620 > 17 22 Sr 0.78331836546296 0.82070491492172 0.62500000000000 87.620 > 17 23 Sr 0.28331836546297 0.82070491492172 0.87500000000000 87.620 > 17 24 Sr 0.78331836546296 0.82070491492172 0.87500000000000 87.620 > 17 25 Sr 0.46668163453703 0.32070491492172 0.12500000000000 87.620 > 25 26 Sr 0.96668163453704 0.32070491492172 0.12500000000000 87.620 > 25 27 Sr 0.46668163453703 0.32070491492172 0.37500000000000 87.620 > 25 28 Sr 0.96668163453704 0.32070491492172 0.37500000000000 87.620 > 25 29 Sr 0.46668163453703 0.32070491492172 0.62500000000000 87.620 > 25 30 Sr 0.96668163453704 0.32070491492172 0.62500000000000 87.620 > 25 31 Sr 0.46668163453703 0.32070491492172 0.87500000000000 87.620 > 25 32 Sr 0.96668163453704 0.32070491492172 0.87500000000000 87.620 > 25 33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 33 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 33 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 33 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 33 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 33 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 33 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 33 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 33 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 41 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 41 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 41 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 41 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 41 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 41 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 41 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 41 49 O 0.06576380264954 0.18554913552469 0.00000000000000 15.999 > 49 50 O 0.56576380264954 0.18554913552469 0.00000000000000 15.999 > 49 51 O 0.06576380264954 0.18554913552469 0.25000000000000 15.999 > 49 52 O 0.56576380264954 0.18554913552469 0.25000000000000 15.999 > 49 53 O 0.06576380264954 0.18554913552469 0.50000000000000 15.999 > 49 54 O 0.56576380264954 0.18554913552469 0.50000000000000 15.999 > 49 55 O 0.06576380264954 0.18554913552469 0.75000000000000 15.999 > 49 56 O 0.56576380264954 0.18554913552469 0.75000000000000 15.999 > 49 57 O 0.10625273260463 0.95414328866994 0.12500000000000 15.999 > 57 58 O 0.60625273260463 0.95414328866994 0.12500000000000 15.999 > 57 59 O 0.10625273260463 0.95414328866994 0.37500000000000 15.999 > 57 60 O 0.60625273260463 0.95414328866994 0.37500000000000 15.999 > 57 61 O 0.10625273260463 0.95414328866994 0.62500000000000 15.999 > 57 62 O 0.60625273260463 0.95414328866994 0.62500000000000 15.999 > 57 63 O 0.10625273260463 0.95414328866994 0.87500000000000 15.999 > 57 64 O 0.60625273260463 0.95414328866994 0.87500000000000 15.999 > 57 65 O 0.14374726739537 0.45414328866994 0.12500000000000 15.999 > 65 66 O 0.64374726739537 0.45414328866994 0.12500000000000 15.999 > 65 67 O 0.14374726739537 0.45414328866994 0.37500000000000 15.999 > 65 68 O 0.64374726739537 0.45414328866994 0.37500000000000 15.999 > 65 69 O 0.14374726739537 0.45414328866994 0.62500000000000 15.999 > 65 70 O 0.64374726739537 0.45414328866994 0.62500000000000 15.999 > 65 71 O 0.14374726739537 0.45414328866994 0.87500000000000 15.999 > 65 72 O 0.64374726739537 0.45414328866994 0.87500000000000 15.999 > 65 73 O 0.18423619735046 0.68554913552469 0.00000000000000 15.999 > 73 74 O 0.68423619735046 0.68554913552469 0.00000000000000 15.999 > 73 75 O 0.18423619735046 0.68554913552469 0.25000000000000 15.999 > 73 76 O 0.68423619735046 0.68554913552469 0.25000000000000 15.999 > 73 77 O 0.18423619735046 0.68554913552469 0.50000000000000 15.999 > 73 78 O 0.68423619735046 0.68554913552469 0.50000000000000 15.999 > 73 79 O 0.18423619735046 0.68554913552469 0.75000000000000 15.999 > 73 80 O 0.68423619735046 0.68554913552469 0.75000000000000 15.999 > 73 81 O 0.31576380264954 0.31445086447531 0.00000000000000 15.999 > 81 82 O 0.81576380264954 0.31445086447531 0.00000000000000 15.999 > 81 83 O 0.31576380264954 0.31445086447531 0.25000000000000 15.999 > 81 84 O 0.81576380264954 0.31445086447531 0.25000000000000 15.999 > 81 85 O 0.31576380264954 0.31445086447531 0.50000000000000 15.999 > 81 86 O 0.81576380264954 0.31445086447531 0.50000000000000 15.999 > 81 87 O 0.31576380264954 0.31445086447531 0.75000000000000 15.999 > 81 88 O 0.81576380264954 0.31445086447531 0.75000000000000 15.999 > 81 89 O 0.35625273260463 0.54585671133006 0.12500000000000 15.999 > 89 90 O 0.85625273260463 0.54585671133006 0.12500000000000 15.999 > 89 91 O 0.35625273260463 0.54585671133006 0.37500000000000 15.999 > 89 92 O 0.85625273260463 0.54585671133006 0.37500000000000 15.999 > 89 93 O 0.35625273260463 0.54585671133006 0.62500000000000 15.999 > 89 94 O 0.85625273260463 0.54585671133006 0.62500000000000 15.999 > 89 95 O 0.35625273260463 0.54585671133006 0.87500000000000 15.999 > 89 96 O 0.85625273260463 0.54585671133006 0.87500000000000 15.999 > 89 97 O 0.39374726739537 0.04585671133006 0.12500000000000 15.999 > 97 98 O 0.89374726739537 0.04585671133006 0.12500000000000 15.999 > 97 99 O 0.39374726739537 0.04585671133006 0.37500000000000 15.999 > 97 100 O 0.89374726739537 0.04585671133006 0.37500000000000 15.999 > 97 101 O 0.39374726739537 0.04585671133006 0.62500000000000 15.999 > 97 102 O 0.89374726739537 0.04585671133006 0.62500000000000 15.999 > 97 103 O 0.39374726739537 0.04585671133006 0.87500000000000 15.999 > 97 104 O 0.89374726739537 0.04585671133006 0.87500000000000 15.999 > 97 105 O 0.43423619735046 0.81445086447531 0.00000000000000 15.999 > 105 106 O 0.93423619735046 0.81445086447531 0.00000000000000 15.999 > 105 107 O 0.43423619735046 0.81445086447531 0.25000000000000 15.999 > 105 108 O 0.93423619735046 0.81445086447531 0.25000000000000 15.999 > 105 109 O 0.43423619735046 0.81445086447531 0.50000000000000 15.999 > 105 110 O 0.93423619735046 0.81445086447531 0.50000000000000 15.999 > 105 111 O 0.43423619735046 0.81445086447531 0.75000000000000 15.999 > 105 112 O 0.93423619735046 0.81445086447531 0.75000000000000 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9272582 0.0000000 0.0000000 0.0000000 3.9332179 0.0000000 0.0000000 0.0000000 4.2859951 -------------------------- Born effective charges -------------------------- 1 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 2 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 3 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 4 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 5 Hf 3.5679389 0.3866412 0.0000000 0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 6 Hf 3.5679389 -0.3866412 0.0000000 -0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 7 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 8 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 9 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 10 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 11 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 12 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 13 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 14 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000013 (xxx) 0.00000013 (xxx) 0.00000013 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:43:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:43:45]------------------------- 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 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.013845480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.332775850000001 Atomic positions (fractional): 1 Sr 0.06663673092593 0.67929508507828 0.50000000000000 87.620 2 Sr 0.43336326907407 0.17929508507828 0.50000000000000 87.620 3 Sr 0.56663673092593 0.82070491492172 0.50000000000000 87.620 4 Sr 0.93336326907407 0.32070491492172 0.50000000000000 87.620 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 7 O 0.13152760529908 0.18554913552469 0.00000000000000 15.999 8 O 0.21250546520927 0.95414328866994 0.50000000000000 15.999 9 O 0.28749453479073 0.45414328866994 0.50000000000000 15.999 10 O 0.36847239470092 0.68554913552469 0.00000000000000 15.999 11 O 0.63152760529908 0.31445086447531 0.00000000000000 15.999 12 O 0.71250546520927 0.54585671133006 0.50000000000000 15.999 13 O 0.78749453479073 0.04585671133006 0.50000000000000 15.999 14 O 0.86847239470092 0.81445086447531 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.027690960000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.179494300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.331103400000003 Atomic positions (fractional): 1 Sr 0.03331836546297 0.67929508507828 0.12500000000000 87.620 > 1 2 Sr 0.53331836546296 0.67929508507828 0.12500000000000 87.620 > 1 3 Sr 0.03331836546297 0.67929508507828 0.37500000000000 87.620 > 1 4 Sr 0.53331836546296 0.67929508507828 0.37500000000000 87.620 > 1 5 Sr 0.03331836546297 0.67929508507828 0.62500000000000 87.620 > 1 6 Sr 0.53331836546296 0.67929508507828 0.62500000000000 87.620 > 1 7 Sr 0.03331836546297 0.67929508507828 0.87500000000000 87.620 > 1 8 Sr 0.53331836546296 0.67929508507828 0.87500000000000 87.620 > 1 9 Sr 0.21668163453704 0.17929508507828 0.12500000000000 87.620 > 9 10 Sr 0.71668163453704 0.17929508507828 0.12500000000000 87.620 > 9 11 Sr 0.21668163453704 0.17929508507828 0.37500000000000 87.620 > 9 12 Sr 0.71668163453704 0.17929508507828 0.37500000000000 87.620 > 9 13 Sr 0.21668163453704 0.17929508507828 0.62500000000000 87.620 > 9 14 Sr 0.71668163453704 0.17929508507828 0.62500000000000 87.620 > 9 15 Sr 0.21668163453704 0.17929508507828 0.87500000000000 87.620 > 9 16 Sr 0.71668163453704 0.17929508507828 0.87500000000000 87.620 > 9 17 Sr 0.28331836546297 0.82070491492172 0.12500000000000 87.620 > 17 18 Sr 0.78331836546296 0.82070491492172 0.12500000000000 87.620 > 17 19 Sr 0.28331836546297 0.82070491492172 0.37500000000000 87.620 > 17 20 Sr 0.78331836546296 0.82070491492172 0.37500000000000 87.620 > 17 21 Sr 0.28331836546297 0.82070491492172 0.62500000000000 87.620 > 17 22 Sr 0.78331836546296 0.82070491492172 0.62500000000000 87.620 > 17 23 Sr 0.28331836546297 0.82070491492172 0.87500000000000 87.620 > 17 24 Sr 0.78331836546296 0.82070491492172 0.87500000000000 87.620 > 17 25 Sr 0.46668163453703 0.32070491492172 0.12500000000000 87.620 > 25 26 Sr 0.96668163453704 0.32070491492172 0.12500000000000 87.620 > 25 27 Sr 0.46668163453703 0.32070491492172 0.37500000000000 87.620 > 25 28 Sr 0.96668163453704 0.32070491492172 0.37500000000000 87.620 > 25 29 Sr 0.46668163453703 0.32070491492172 0.62500000000000 87.620 > 25 30 Sr 0.96668163453704 0.32070491492172 0.62500000000000 87.620 > 25 31 Sr 0.46668163453703 0.32070491492172 0.87500000000000 87.620 > 25 32 Sr 0.96668163453704 0.32070491492172 0.87500000000000 87.620 > 25 33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 33 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 33 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 33 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 33 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 33 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 33 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 33 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 33 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 41 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 41 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 41 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 41 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 41 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 41 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 41 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 41 49 O 0.06576380264954 0.18554913552469 0.00000000000000 15.999 > 49 50 O 0.56576380264954 0.18554913552469 0.00000000000000 15.999 > 49 51 O 0.06576380264954 0.18554913552469 0.25000000000000 15.999 > 49 52 O 0.56576380264954 0.18554913552469 0.25000000000000 15.999 > 49 53 O 0.06576380264954 0.18554913552469 0.50000000000000 15.999 > 49 54 O 0.56576380264954 0.18554913552469 0.50000000000000 15.999 > 49 55 O 0.06576380264954 0.18554913552469 0.75000000000000 15.999 > 49 56 O 0.56576380264954 0.18554913552469 0.75000000000000 15.999 > 49 57 O 0.10625273260463 0.95414328866994 0.12500000000000 15.999 > 57 58 O 0.60625273260463 0.95414328866994 0.12500000000000 15.999 > 57 59 O 0.10625273260463 0.95414328866994 0.37500000000000 15.999 > 57 60 O 0.60625273260463 0.95414328866994 0.37500000000000 15.999 > 57 61 O 0.10625273260463 0.95414328866994 0.62500000000000 15.999 > 57 62 O 0.60625273260463 0.95414328866994 0.62500000000000 15.999 > 57 63 O 0.10625273260463 0.95414328866994 0.87500000000000 15.999 > 57 64 O 0.60625273260463 0.95414328866994 0.87500000000000 15.999 > 57 65 O 0.14374726739537 0.45414328866994 0.12500000000000 15.999 > 65 66 O 0.64374726739537 0.45414328866994 0.12500000000000 15.999 > 65 67 O 0.14374726739537 0.45414328866994 0.37500000000000 15.999 > 65 68 O 0.64374726739537 0.45414328866994 0.37500000000000 15.999 > 65 69 O 0.14374726739537 0.45414328866994 0.62500000000000 15.999 > 65 70 O 0.64374726739537 0.45414328866994 0.62500000000000 15.999 > 65 71 O 0.14374726739537 0.45414328866994 0.87500000000000 15.999 > 65 72 O 0.64374726739537 0.45414328866994 0.87500000000000 15.999 > 65 73 O 0.18423619735046 0.68554913552469 0.00000000000000 15.999 > 73 74 O 0.68423619735046 0.68554913552469 0.00000000000000 15.999 > 73 75 O 0.18423619735046 0.68554913552469 0.25000000000000 15.999 > 73 76 O 0.68423619735046 0.68554913552469 0.25000000000000 15.999 > 73 77 O 0.18423619735046 0.68554913552469 0.50000000000000 15.999 > 73 78 O 0.68423619735046 0.68554913552469 0.50000000000000 15.999 > 73 79 O 0.18423619735046 0.68554913552469 0.75000000000000 15.999 > 73 80 O 0.68423619735046 0.68554913552469 0.75000000000000 15.999 > 73 81 O 0.31576380264954 0.31445086447531 0.00000000000000 15.999 > 81 82 O 0.81576380264954 0.31445086447531 0.00000000000000 15.999 > 81 83 O 0.31576380264954 0.31445086447531 0.25000000000000 15.999 > 81 84 O 0.81576380264954 0.31445086447531 0.25000000000000 15.999 > 81 85 O 0.31576380264954 0.31445086447531 0.50000000000000 15.999 > 81 86 O 0.81576380264954 0.31445086447531 0.50000000000000 15.999 > 81 87 O 0.31576380264954 0.31445086447531 0.75000000000000 15.999 > 81 88 O 0.81576380264954 0.31445086447531 0.75000000000000 15.999 > 81 89 O 0.35625273260463 0.54585671133006 0.12500000000000 15.999 > 89 90 O 0.85625273260463 0.54585671133006 0.12500000000000 15.999 > 89 91 O 0.35625273260463 0.54585671133006 0.37500000000000 15.999 > 89 92 O 0.85625273260463 0.54585671133006 0.37500000000000 15.999 > 89 93 O 0.35625273260463 0.54585671133006 0.62500000000000 15.999 > 89 94 O 0.85625273260463 0.54585671133006 0.62500000000000 15.999 > 89 95 O 0.35625273260463 0.54585671133006 0.87500000000000 15.999 > 89 96 O 0.85625273260463 0.54585671133006 0.87500000000000 15.999 > 89 97 O 0.39374726739537 0.04585671133006 0.12500000000000 15.999 > 97 98 O 0.89374726739537 0.04585671133006 0.12500000000000 15.999 > 97 99 O 0.39374726739537 0.04585671133006 0.37500000000000 15.999 > 97 100 O 0.89374726739537 0.04585671133006 0.37500000000000 15.999 > 97 101 O 0.39374726739537 0.04585671133006 0.62500000000000 15.999 > 97 102 O 0.89374726739537 0.04585671133006 0.62500000000000 15.999 > 97 103 O 0.39374726739537 0.04585671133006 0.87500000000000 15.999 > 97 104 O 0.89374726739537 0.04585671133006 0.87500000000000 15.999 > 97 105 O 0.43423619735046 0.81445086447531 0.00000000000000 15.999 > 105 106 O 0.93423619735046 0.81445086447531 0.00000000000000 15.999 > 105 107 O 0.43423619735046 0.81445086447531 0.25000000000000 15.999 > 105 108 O 0.93423619735046 0.81445086447531 0.25000000000000 15.999 > 105 109 O 0.43423619735046 0.81445086447531 0.50000000000000 15.999 > 105 110 O 0.93423619735046 0.81445086447531 0.50000000000000 15.999 > 105 111 O 0.43423619735046 0.81445086447531 0.75000000000000 15.999 > 105 112 O 0.93423619735046 0.81445086447531 0.75000000000000 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9272582 0.0000000 0.0000000 0.0000000 3.9332179 0.0000000 0.0000000 0.0000000 4.2859951 -------------------------- Born effective charges -------------------------- 1 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 2 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 3 Sr 2.8463658 0.2586576 0.0000000 0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 4 Sr 2.8463658 -0.2586576 0.0000000 -0.4354662 2.3516505 0.0000000 0.0000000 0.0000000 2.2403002 5 Hf 3.5679389 0.3866412 0.0000000 0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 6 Hf 3.5679389 -0.3866412 0.0000000 -0.5701153 4.8416719 0.0000000 0.0000000 0.0000000 6.0779881 7 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 8 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 9 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 10 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 11 O -2.2260753 0.2816972 0.0000000 0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 12 O -2.4042599 -0.3620423 0.0000000 -0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 13 O -2.4042599 0.3620423 0.0000000 0.2832614 -1.8814319 0.0000000 0.0000000 0.0000000 -3.1139596 14 O -2.2260753 -0.2816972 0.0000000 -0.4737192 -2.8910545 0.0000000 0.0000000 0.0000000 -2.1653346 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (xxx) 0.00000013 (xxx) 0.00000013 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 15 ] 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: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 10.991 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 15.888 ( 0.000 0.000 0.000) 0.000 16.799 ( 0.000 0.000 0.000) 0.000 18.572 ( 0.000 0.000 0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 25.090 0.000 0.000) 25.090 0.671 ( 31.748 0.000 0.000) 31.748 1.144 ( 53.807 0.000 0.000) 53.807 1.868 ( -0.670 0.000 0.000) 0.670 2.589 ( -1.646 0.000 0.000) 1.646 2.593 ( 2.484 0.000 0.000) 2.484 2.820 ( -15.433 0.000 0.000) 15.433 2.964 ( 3.931 0.000 0.000) 3.931 3.140 ( -5.878 0.000 0.000) 5.878 3.736 ( -4.073 0.000 0.000) 4.073 3.816 ( -2.449 0.000 0.000) 2.449 4.103 ( 20.683 0.000 0.000) 20.683 4.401 ( -10.703 0.000 0.000) 10.703 4.538 ( -11.506 0.000 0.000) 11.506 4.828 ( -0.783 0.000 0.000) 0.783 5.753 ( 9.794 0.000 0.000) 9.794 6.419 ( -9.196 0.000 0.000) 9.196 6.737 ( 0.985 0.000 0.000) 0.985 6.744 ( -4.333 0.000 0.000) 4.333 6.901 ( -4.079 0.000 0.000) 4.079 7.458 ( -1.571 0.000 0.000) 1.571 8.005 ( -4.695 0.000 0.000) 4.695 9.658 ( 2.501 0.000 0.000) 2.501 9.789 ( 9.984 0.000 0.000) 9.984 10.871 ( 2.617 0.000 0.000) 2.617 10.933 ( 10.917 0.000 0.000) 10.917 10.963 ( -6.072 0.000 0.000) 6.072 10.987 ( 0.198 0.000 0.000) 0.198 10.994 ( 0.289 0.000 0.000) 0.289 11.018 ( 0.839 0.000 0.000) 0.839 11.400 ( 0.756 0.000 0.000) 0.756 11.564 ( -0.952 0.000 0.000) 0.952 11.662 ( 5.342 0.000 0.000) 5.342 12.895 ( -13.831 0.000 0.000) 13.831 13.427 ( -16.114 0.000 0.000) 16.114 14.422 ( 23.593 0.000 0.000) 23.593 14.478 ( -16.815 0.000 0.000) 16.815 15.950 ( 5.463 0.000 0.000) 5.463 16.452 ( 1.799 0.000 0.000) 1.799 17.103 ( -5.793 0.000 0.000) 5.793 18.595 ( 2.085 0.000 0.000) 2.085 19.061 ( -2.667 0.000 0.000) 2.667 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 21.633 0.000 0.000) 21.633 1.305 ( 28.710 0.000 0.000) 28.710 1.844 ( -1.808 0.000 0.000) 1.808 2.149 ( 34.360 0.000 0.000) 34.360 2.529 ( -3.378 0.000 0.000) 3.378 2.643 ( 6.466 0.000 0.000) 6.466 2.679 ( 6.077 0.000 0.000) 6.077 2.987 ( -7.169 0.000 0.000) 7.169 3.079 ( 6.923 0.000 0.000) 6.923 3.611 ( -8.087 0.000 0.000) 8.087 3.733 ( -5.454 0.000 0.000) 5.454 3.980 ( -18.550 0.000 0.000) 18.550 4.268 ( -15.007 0.000 0.000) 15.007 4.701 ( 25.519 0.000 0.000) 25.519 4.740 ( -7.052 0.000 0.000) 7.052 5.967 ( 9.918 0.000 0.000) 9.918 6.210 ( -11.024 0.000 0.000) 11.024 6.637 ( -5.201 0.000 0.000) 5.201 6.686 ( -5.892 0.000 0.000) 5.892 6.788 ( -6.387 0.000 0.000) 6.387 7.439 ( 0.258 0.000 0.000) 0.258 7.875 ( -7.324 0.000 0.000) 7.324 9.735 ( 4.984 0.000 0.000) 4.984 10.042 ( 12.554 0.000 0.000) 12.554 10.810 ( -7.356 0.000 0.000) 7.356 10.939 ( 3.461 0.000 0.000) 3.461 10.993 ( 0.276 0.000 0.000) 0.276 11.003 ( 0.654 0.000 0.000) 0.654 11.041 ( 1.299 0.000 0.000) 1.299 11.185 ( 10.432 0.000 0.000) 10.432 11.420 ( 1.037 0.000 0.000) 1.037 11.537 ( -1.633 0.000 0.000) 1.633 11.806 ( 8.190 0.000 0.000) 8.190 12.586 ( -13.509 0.000 0.000) 13.509 13.110 ( -13.204 0.000 0.000) 13.204 14.047 ( -22.990 0.000 0.000) 22.990 14.950 ( 26.638 0.000 0.000) 26.638 16.089 ( 7.303 0.000 0.000) 7.303 16.467 ( -0.789 0.000 0.000) 0.789 16.913 ( -12.611 0.000 0.000) 12.611 18.653 ( 3.364 0.000 0.000) 3.364 18.988 ( -4.090 0.000 0.000) 4.090 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 15.306 0.000 0.000) 15.306 1.785 ( -4.085 0.000 0.000) 4.085 1.820 ( 19.274 0.000 0.000) 19.274 2.273 ( -6.691 0.000 0.000) 6.691 2.522 ( 5.107 0.000 0.000) 5.107 2.855 ( 10.891 0.000 0.000) 10.891 2.882 ( -1.502 0.000 0.000) 1.502 3.242 ( 8.497 0.000 0.000) 8.497 3.332 ( 39.496 0.000 0.000) 39.496 3.398 ( -12.256 0.000 0.000) 12.256 3.595 ( -7.670 0.000 0.000) 7.670 3.619 ( -12.810 0.000 0.000) 12.810 3.908 ( -18.822 0.000 0.000) 18.822 4.529 ( -14.500 0.000 0.000) 14.500 5.204 ( 22.226 0.000 0.000) 22.226 5.950 ( -14.191 0.000 0.000) 14.191 6.154 ( 8.239 0.000 0.000) 8.239 6.516 ( -9.466 0.000 0.000) 9.466 6.557 ( -2.053 0.000 0.000) 2.053 6.655 ( -5.885 0.000 0.000) 5.885 7.479 ( 3.520 0.000 0.000) 3.520 7.719 ( -7.302 0.000 0.000) 7.302 9.867 ( 7.723 0.000 0.000) 7.723 10.192 ( -1.113 0.000 0.000) 1.113 10.766 ( 6.143 0.000 0.000) 6.143 10.990 ( 1.050 0.000 0.000) 1.050 10.998 ( 0.181 0.000 0.000) 0.181 11.032 ( 2.135 0.000 0.000) 2.135 11.065 ( 0.813 0.000 0.000) 0.813 11.246 ( -5.695 0.000 0.000) 5.695 11.442 ( 1.067 0.000 0.000) 1.067 11.500 ( -1.777 0.000 0.000) 1.777 11.993 ( 9.653 0.000 0.000) 9.653 12.380 ( -7.626 0.000 0.000) 7.626 12.958 ( 1.056 0.000 0.000) 1.056 13.572 ( -21.873 0.000 0.000) 21.873 15.513 ( 27.120 0.000 0.000) 27.120 16.237 ( 6.800 0.000 0.000) 6.800 16.404 ( -6.574 0.000 0.000) 6.574 16.591 ( -16.890 0.000 0.000) 16.890 18.729 ( 3.850 0.000 0.000) 3.850 18.899 ( -4.312 0.000 0.000) 4.312 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -8.515 0.000 0.000) 8.515 1.659 ( 8.515 0.000 0.000) 8.515 2.097 ( -9.543 0.000 0.000) 9.543 2.097 ( 9.543 0.000 0.000) 9.543 2.749 ( -12.712 0.000 0.000) 12.712 2.749 ( 12.712 0.000 0.000) 12.712 3.119 ( -13.871 0.000 0.000) 13.871 3.119 ( 13.871 0.000 0.000) 13.871 3.423 ( -8.676 0.000 0.000) 8.676 3.423 ( 8.676 0.000 0.000) 8.676 3.566 ( -10.715 0.000 0.000) 10.715 3.566 ( 10.715 0.000 0.000) 10.715 4.082 ( -29.018 0.000 0.000) 29.018 4.082 ( 29.018 0.000 0.000) 29.018 5.618 ( -17.743 0.000 0.000) 17.743 5.618 ( 17.743 0.000 0.000) 17.743 6.325 ( -8.574 0.000 0.000) 8.574 6.325 ( 8.574 0.000 0.000) 8.574 6.563 ( -2.602 0.000 0.000) 2.602 6.563 ( 2.602 0.000 0.000) 2.602 7.580 ( -5.981 0.000 0.000) 5.981 7.580 ( 5.981 0.000 0.000) 5.981 10.051 ( -9.386 0.000 0.000) 9.386 10.051 ( 9.386 0.000 0.000) 9.386 10.999 ( -0.097 0.000 0.000) 0.097 10.999 ( 0.097 0.000 0.000) 0.097 11.012 ( -14.201 0.000 0.000) 14.201 11.012 ( 14.201 0.000 0.000) 14.201 11.066 ( -0.842 0.000 0.000) 0.842 11.066 ( 0.842 0.000 0.000) 0.842 11.467 ( -1.391 0.000 0.000) 1.391 11.467 ( 1.391 0.000 0.000) 1.391 12.199 ( -9.809 0.000 0.000) 9.809 12.199 ( 9.809 0.000 0.000) 9.809 13.164 ( -16.535 0.000 0.000) 16.535 13.164 ( 16.535 0.000 0.000) 16.535 16.056 ( -24.216 0.000 0.000) 24.216 16.056 ( 24.216 0.000 0.000) 24.216 16.371 ( -6.349 0.000 0.000) 6.349 16.371 ( 6.349 0.000 0.000) 6.349 18.812 ( -4.087 0.000 0.000) 4.087 18.812 ( 4.087 0.000 0.000) 4.087 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 31.198 0.000) 31.198 0.637 ( 0.000 31.056 0.000) 31.056 0.956 ( 0.000 47.704 0.000) 47.704 1.810 ( 0.000 -6.785 0.000) 6.785 2.326 ( 0.000 -25.160 0.000) 25.160 2.586 ( 0.000 1.928 0.000) 1.928 2.870 ( 0.000 -5.001 0.000) 5.001 3.229 ( 0.000 -3.356 0.000) 3.356 3.445 ( 0.000 24.898 0.000) 24.898 3.489 ( 0.000 -13.021 0.000) 13.021 3.785 ( 0.000 0.568 0.000) 0.568 3.834 ( 0.000 -0.555 0.000) 0.555 4.369 ( 0.000 -16.383 0.000) 16.383 4.694 ( 0.000 -7.161 0.000) 7.161 5.270 ( 0.000 3.023 0.000) 3.023 5.288 ( 0.000 7.884 0.000) 7.884 6.646 ( 0.000 8.575 0.000) 8.575 6.808 ( 0.000 1.497 0.000) 1.497 6.931 ( 0.000 -1.368 0.000) 1.368 7.130 ( 0.000 -4.178 0.000) 4.178 7.502 ( 0.000 2.478 0.000) 2.478 7.951 ( 0.000 -9.275 0.000) 9.275 9.636 ( 0.000 14.817 0.000) 14.817 10.130 ( 0.000 1.860 0.000) 1.860 10.232 ( 0.000 -1.572 0.000) 1.572 10.855 ( 0.000 1.200 0.000) 1.200 10.868 ( 0.000 -15.341 0.000) 15.341 10.972 ( 0.000 -1.609 0.000) 1.609 10.989 ( 0.000 0.209 0.000) 0.209 11.007 ( 0.000 -0.176 0.000) 0.176 11.413 ( 0.000 1.997 0.000) 1.997 11.559 ( 0.000 -1.505 0.000) 1.505 12.020 ( 0.000 5.430 0.000) 5.430 12.545 ( 0.000 -6.875 0.000) 6.875 13.163 ( 0.000 8.568 0.000) 8.568 13.644 ( 0.000 -3.658 0.000) 3.658 14.764 ( 0.000 9.501 0.000) 9.501 15.708 ( 0.000 -15.590 0.000) 15.590 16.971 ( 0.000 14.865 0.000) 14.865 17.979 ( 0.000 -14.493 0.000) 14.493 18.698 ( 0.000 9.375 0.000) 9.375 19.068 ( 0.000 -2.273 0.000) 2.273 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 19.950 16.103 0.000) 25.638 0.813 ( 14.645 22.424 0.000) 26.783 1.539 ( 41.500 31.546 0.000) 52.129 1.810 ( -0.151 -6.159 0.000) 6.161 2.272 ( -3.828 -24.060 0.000) 24.363 2.613 ( 2.653 2.112 0.000) 3.391 2.911 ( 3.877 -5.081 0.000) 6.391 3.073 ( -16.049 17.760 0.000) 23.937 3.197 ( -3.132 2.087 0.000) 3.764 3.745 ( -3.803 0.837 0.000) 3.894 3.809 ( -2.543 -0.687 0.000) 2.634 3.890 ( 20.070 -10.965 0.000) 22.870 4.144 ( -13.568 -16.836 0.000) 21.623 4.708 ( -11.762 -0.646 0.000) 11.780 5.101 ( -5.563 16.426 0.000) 17.342 5.439 ( 14.010 -10.870 0.000) 17.732 6.673 ( -2.192 9.715 0.000) 9.960 6.760 ( -4.317 1.536 0.000) 4.582 6.884 ( -12.209 9.655 0.000) 15.565 6.886 ( -4.109 -1.413 0.000) 4.346 7.466 ( -1.816 1.730 0.000) 2.508 7.922 ( -3.454 -8.198 0.000) 8.896 9.629 ( 0.955 6.243 0.000) 6.315 9.997 ( 3.945 9.948 0.000) 10.701 10.700 ( 15.448 -12.771 0.000) 20.043 10.871 ( 1.936 -11.352 0.000) 11.516 10.881 ( 2.416 0.988 0.000) 2.610 10.978 ( 0.567 -1.303 0.000) 1.421 10.992 ( 0.266 0.277 0.000) 0.384 11.016 ( 0.818 -0.219 0.000) 0.846 11.418 ( 0.508 1.743 0.000) 1.815 11.550 ( -0.838 -1.384 0.000) 1.617 11.867 ( -0.685 14.920 0.000) 14.936 12.931 ( -7.999 -11.134 0.000) 13.709 13.089 ( 5.217 -9.356 0.000) 10.712 13.814 ( 12.119 -19.781 0.000) 23.198 14.727 ( 0.413 12.456 0.000) 12.463 15.693 ( 1.520 -15.611 0.000) 15.684 16.913 ( -5.164 18.010 0.000) 18.736 17.475 ( -26.825 15.687 0.000) 31.075 18.658 ( 0.242 7.239 0.000) 7.243 19.052 ( -2.341 -1.671 0.000) 2.876 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 16.609 11.727 0.000) 20.332 1.290 ( 25.380 1.841 0.000) 25.446 1.799 ( -1.004 -4.613 0.000) 4.721 2.240 ( 2.538 -16.656 0.000) 16.848 2.409 ( 33.480 17.046 0.000) 37.569 2.704 ( 6.281 2.539 0.000) 6.774 2.809 ( -4.240 12.222 0.000) 12.937 3.024 ( 6.822 -5.175 0.000) 8.563 3.097 ( -6.174 9.473 0.000) 11.308 3.628 ( -7.423 1.610 0.000) 7.596 3.725 ( -5.511 -0.858 0.000) 5.577 3.797 ( -17.172 -15.292 0.000) 22.994 4.293 ( 5.101 -10.637 0.000) 11.797 4.362 ( -8.428 -7.317 0.000) 11.161 5.101 ( 4.783 17.509 0.000) 18.150 5.738 ( 13.303 -11.666 0.000) 17.694 6.478 ( -13.670 14.940 0.000) 20.250 6.652 ( -5.357 1.435 0.000) 5.546 6.720 ( -7.577 2.874 0.000) 8.103 6.774 ( -6.311 -1.391 0.000) 6.462 7.447 ( 0.276 1.365 0.000) 1.393 7.818 ( -5.962 -5.672 0.000) 8.228 9.687 ( 4.322 -0.357 0.000) 4.336 10.127 ( 5.419 2.452 0.000) 5.948 10.754 ( -0.929 -2.868 0.000) 3.015 10.943 ( 3.044 0.395 0.000) 3.069 10.994 ( 0.893 -0.827 0.000) 1.217 11.000 ( 0.550 0.657 0.000) 0.857 11.039 ( 1.316 -0.254 0.000) 1.340 11.100 ( 12.668 -7.147 0.000) 14.545 11.432 ( 0.708 1.154 0.000) 1.354 11.526 ( -1.431 -1.047 0.000) 1.773 11.953 ( 6.692 13.187 0.000) 14.788 12.642 ( -13.809 3.604 0.000) 14.272 13.028 ( -8.066 -6.022 0.000) 10.066 13.792 ( -13.596 -22.080 0.000) 25.930 14.980 ( 22.195 6.034 0.000) 23.001 15.818 ( 9.507 -16.806 0.000) 19.308 16.776 ( -7.755 16.679 0.000) 18.393 17.047 ( -17.668 10.187 0.000) 20.395 18.694 ( 2.602 4.284 0.000) 5.013 18.984 ( -3.892 -1.005 0.000) 4.019 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 12.360 4.522 0.000) 13.161 1.760 ( -3.056 -2.606 0.000) 4.016 1.781 ( 20.827 -1.516 0.000) 20.882 2.388 ( 5.968 1.663 0.000) 6.196 2.412 ( -6.473 -2.255 0.000) 6.855 2.880 ( 10.584 2.526 0.000) 10.881 2.963 ( -7.026 7.384 0.000) 10.192 3.175 ( 6.549 -5.442 0.000) 8.515 3.302 ( 22.895 -2.125 0.000) 22.993 3.444 ( -9.286 3.441 0.000) 9.903 3.467 ( -9.688 -12.785 0.000) 16.041 3.585 ( -7.664 -0.955 0.000) 7.724 3.997 ( -8.520 6.856 0.000) 10.936 4.470 ( -2.623 -5.704 0.000) 6.278 5.326 ( 16.288 11.080 0.000) 19.699 5.953 ( 3.790 -2.494 0.000) 4.537 6.185 ( -10.349 5.017 0.000) 11.501 6.514 ( -11.662 -0.712 0.000) 11.683 6.565 ( -2.476 0.846 0.000) 2.617 6.645 ( -5.574 -0.996 0.000) 5.663 7.483 ( 3.171 0.824 0.000) 3.277 7.691 ( -6.076 -2.891 0.000) 6.729 9.803 ( 6.829 -3.887 0.000) 7.858 10.127 ( -5.453 -7.533 0.000) 9.299 10.843 ( 9.697 7.676 0.000) 12.367 10.987 ( 1.100 -0.085 0.000) 1.103 11.002 ( 0.086 0.086 0.000) 0.122 11.033 ( 2.173 0.288 0.000) 2.192 11.064 ( 0.857 -0.183 0.000) 0.876 11.239 ( -0.849 -1.458 0.000) 1.688 11.447 ( 0.775 0.524 0.000) 0.935 11.494 ( -1.527 -0.570 0.000) 1.630 12.087 ( 6.154 9.211 0.000) 11.077 12.420 ( -8.348 3.421 0.000) 9.022 12.923 ( 1.081 -2.924 0.000) 3.118 13.436 ( -18.002 -13.051 0.000) 22.235 15.501 ( 26.083 0.637 0.000) 26.091 16.030 ( 9.170 -13.101 0.000) 15.991 16.589 ( -10.707 10.081 0.000) 14.706 16.676 ( -17.126 6.998 0.000) 18.501 18.755 ( 3.193 2.557 0.000) 4.090 18.901 ( -3.875 -0.130 0.000) 3.878 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.872 0.089 0.000) 6.873 1.660 ( 6.872 0.089 0.000) 6.873 2.134 ( -13.870 3.463 0.000) 14.295 2.134 ( 13.870 3.463 0.000) 14.295 2.712 ( -16.514 -3.313 0.000) 16.843 2.712 ( 16.514 -3.313 0.000) 16.843 3.121 ( -11.315 0.203 0.000) 11.316 3.121 ( 11.315 0.203 0.000) 11.316 3.401 ( -7.263 -12.149 0.000) 14.155 3.401 ( 7.263 -12.149 0.000) 14.155 3.422 ( -7.108 -0.051 0.000) 7.108 3.422 ( 7.108 -0.051 0.000) 7.108 4.222 ( -19.330 9.986 0.000) 21.757 4.222 ( 19.330 9.986 0.000) 21.757 5.706 ( -18.686 8.276 0.000) 20.437 5.706 ( 18.686 8.276 0.000) 20.437 6.272 ( -10.767 -5.334 0.000) 12.016 6.272 ( 10.767 -5.334 0.000) 12.016 6.561 ( -2.109 -0.136 0.000) 2.113 6.561 ( 2.109 -0.136 0.000) 2.113 7.572 ( -5.189 -0.615 0.000) 5.225 7.572 ( 5.189 -0.615 0.000) 5.225 9.966 ( -8.541 -6.962 0.000) 11.019 9.966 ( 8.541 -6.962 0.000) 11.019 11.000 ( -0.324 0.082 0.000) 0.334 11.000 ( 0.324 0.082 0.000) 0.334 11.066 ( -0.751 -0.017 0.000) 0.751 11.066 ( 0.751 -0.017 0.000) 0.751 11.087 ( -11.703 6.054 0.000) 13.176 11.087 ( 11.703 6.054 0.000) 13.176 11.466 ( -1.127 -0.038 0.000) 1.128 11.466 ( 1.127 -0.038 0.000) 1.128 12.241 ( -8.694 4.130 0.000) 9.625 12.241 ( 8.694 4.130 0.000) 9.625 13.096 ( -13.817 -6.369 0.000) 15.214 13.096 ( 13.817 -6.369 0.000) 15.214 15.995 ( -17.811 -4.413 0.000) 18.350 15.995 ( 17.811 -4.413 0.000) 18.350 16.444 ( -4.584 5.512 0.000) 7.169 16.444 ( 4.584 5.512 0.000) 7.169 18.825 ( -3.499 1.103 0.000) 3.669 18.825 ( 3.499 1.103 0.000) 3.669 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 24.858 0.000) 24.858 1.218 ( 0.000 29.162 0.000) 29.162 1.594 ( 0.000 -15.632 0.000) 15.632 1.714 ( 0.000 -5.419 0.000) 5.419 1.959 ( 0.000 22.482 0.000) 22.482 2.646 ( 0.000 4.254 0.000) 4.254 2.713 ( 0.000 -37.489 0.000) 37.489 2.752 ( 0.000 -6.228 0.000) 6.228 3.632 ( 0.000 16.746 0.000) 16.746 3.800 ( 0.000 0.917 0.000) 0.917 3.819 ( 0.000 -0.911 0.000) 0.911 3.937 ( 0.000 22.624 0.000) 22.624 4.005 ( 0.000 -17.445 0.000) 17.445 4.399 ( 0.000 -20.764 0.000) 20.764 5.371 ( 0.000 4.853 0.000) 4.853 5.400 ( 0.000 2.405 0.000) 2.405 6.837 ( 0.000 9.895 0.000) 9.895 6.847 ( 0.000 2.345 0.000) 2.345 6.894 ( 0.000 -2.266 0.000) 2.266 7.012 ( 0.000 -7.653 0.000) 7.653 7.586 ( 0.000 6.280 0.000) 6.280 7.750 ( 0.000 -10.050 0.000) 10.050 9.990 ( 0.000 18.510 0.000) 18.510 10.184 ( 0.000 -3.628 0.000) 3.628 10.193 ( 0.000 5.846 0.000) 5.846 10.493 ( 0.000 -21.003 0.000) 21.003 10.887 ( 0.000 2.069 0.000) 2.069 10.932 ( 0.000 -2.312 0.000) 2.312 10.995 ( 0.000 0.354 0.000) 0.354 11.002 ( 0.000 -0.314 0.000) 0.314 11.463 ( 0.000 2.864 0.000) 2.864 11.518 ( 0.000 -2.589 0.000) 2.589 12.169 ( 0.000 9.352 0.000) 9.352 12.368 ( 0.000 -10.293 0.000) 10.293 13.358 ( 0.000 10.193 0.000) 10.193 13.535 ( 0.000 -7.415 0.000) 7.415 15.019 ( 0.000 15.829 0.000) 15.829 15.362 ( 0.000 -18.384 0.000) 18.384 17.304 ( 0.000 18.011 0.000) 18.011 17.657 ( 0.000 -17.571 0.000) 17.571 18.873 ( 0.000 7.814 0.000) 7.814 18.998 ( 0.000 -4.926 0.000) 4.926 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 4.690 25.621 0.000) 26.047 1.263 ( 6.207 21.424 0.000) 22.305 1.615 ( 1.840 -13.945 0.000) 14.066 1.737 ( 0.513 -25.002 0.000) 25.008 2.256 ( 26.840 34.792 0.000) 43.941 2.678 ( 3.119 4.577 0.000) 5.539 2.790 ( 3.634 -6.483 0.000) 7.432 2.914 ( 15.973 -28.914 0.000) 33.032 3.426 ( -15.680 18.358 0.000) 24.143 3.766 ( -3.274 1.228 0.000) 3.497 3.790 ( -2.822 -1.147 0.000) 3.046 3.794 ( -15.342 -18.674 0.000) 24.168 3.998 ( 2.946 19.088 0.000) 19.314 4.429 ( -3.634 -21.881 0.000) 22.181 5.338 ( -1.239 7.800 0.000) 7.898 5.405 ( 3.548 0.558 0.000) 3.592 6.800 ( -4.264 2.413 0.000) 4.899 6.834 ( -1.782 7.281 0.000) 7.496 6.848 ( -4.184 -2.338 0.000) 4.792 6.942 ( -6.566 -2.741 0.000) 7.115 7.552 ( -2.384 6.977 0.000) 7.373 7.727 ( -2.192 -10.308 0.000) 10.538 9.864 ( -6.376 14.626 0.000) 15.955 10.076 ( -2.010 -3.656 0.000) 4.172 10.538 ( 15.300 -2.431 0.000) 15.492 10.628 ( 12.978 -10.560 0.000) 16.732 10.908 ( 1.884 1.712 0.000) 2.546 10.945 ( 1.194 -1.913 0.000) 2.255 11.000 ( 0.472 0.473 0.000) 0.668 11.009 ( 0.690 -0.415 0.000) 0.805 11.463 ( -0.015 2.564 0.000) 2.564 11.512 ( -0.509 -2.358 0.000) 2.412 12.169 ( 2.433 15.930 0.000) 16.115 12.511 ( 7.843 -19.584 0.000) 21.096 13.259 ( -8.332 12.818 0.000) 15.288 13.517 ( -3.560 -13.379 0.000) 13.844 15.017 ( 1.980 16.564 0.000) 16.682 15.359 ( 1.630 -17.746 0.000) 17.821 17.234 ( -6.671 15.287 0.000) 16.679 17.489 ( -14.079 -9.232 0.000) 16.836 18.834 ( -2.186 8.949 0.000) 9.212 18.980 ( -1.915 -5.683 0.000) 5.997 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 8.117 13.838 0.000) 16.043 1.455 ( 16.162 14.798 0.000) 21.914 1.658 ( 1.986 -9.826 0.000) 10.024 1.825 ( 9.122 -21.536 0.000) 23.388 2.780 ( 6.694 5.172 0.000) 8.460 2.851 ( 21.103 23.253 0.000) 31.401 2.901 ( 6.855 -6.772 0.000) 9.636 3.089 ( -9.124 13.489 0.000) 16.285 3.205 ( 5.826 -2.384 0.000) 6.296 3.447 ( -17.097 -18.490 0.000) 25.183 3.665 ( -6.398 1.953 0.000) 6.689 3.701 ( -5.767 -1.570 0.000) 5.977 4.084 ( 7.991 -1.364 0.000) 8.107 4.224 ( -12.046 -10.544 0.000) 16.009 5.390 ( 6.050 11.726 0.000) 13.195 5.569 ( 10.995 -7.253 0.000) 13.172 6.690 ( -13.016 6.740 0.000) 14.657 6.690 ( -5.718 2.296 0.000) 6.162 6.736 ( -6.078 -2.269 0.000) 6.488 6.756 ( -11.007 -0.266 0.000) 11.011 7.518 ( -0.627 6.049 0.000) 6.082 7.670 ( -2.949 -8.609 0.000) 9.100 9.788 ( -1.353 10.030 0.000) 10.121 10.021 ( -3.473 -11.494 0.000) 12.007 10.793 ( 11.252 6.311 0.000) 12.901 10.945 ( 14.298 -8.246 0.000) 16.506 10.955 ( 2.228 0.853 0.000) 2.386 10.975 ( 1.450 -1.085 0.000) 1.811 11.015 ( 1.024 0.845 0.000) 1.327 11.030 ( 1.277 -0.629 0.000) 1.424 11.462 ( -0.057 1.802 0.000) 1.802 11.498 ( -0.862 -1.737 0.000) 1.939 12.261 ( 4.890 16.923 0.000) 17.615 12.567 ( -2.515 -12.358 0.000) 12.611 13.052 ( -10.250 10.199 0.000) 14.460 13.356 ( -11.006 -19.796 0.000) 22.650 15.190 ( 14.958 14.004 0.000) 20.490 15.493 ( 11.292 -16.274 0.000) 19.808 17.033 ( -12.332 9.980 0.000) 15.864 17.151 ( -17.603 -0.956 0.000) 17.629 18.811 ( -0.143 6.809 0.000) 6.810 18.929 ( -2.606 -4.664 0.000) 5.343 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 6.013 6.138 0.000) 8.593 1.684 ( 0.283 -4.976 0.000) 4.984 1.842 ( 19.728 8.535 0.000) 21.495 2.100 ( 15.460 -16.265 0.000) 22.440 2.691 ( -14.048 17.413 0.000) 22.373 2.952 ( 9.481 4.728 0.000) 10.594 3.030 ( -18.151 -12.408 0.000) 21.987 3.059 ( 7.624 -5.972 0.000) 9.685 3.196 ( -3.020 3.507 0.000) 4.628 3.316 ( 0.717 -4.593 0.000) 4.648 3.509 ( -8.020 2.927 0.000) 8.537 3.557 ( -7.710 -1.954 0.000) 7.953 4.144 ( 8.391 8.479 0.000) 11.929 4.323 ( 10.709 -8.911 0.000) 13.931 5.579 ( 12.236 13.455 0.000) 18.186 5.819 ( 12.809 -10.257 0.000) 16.410 6.335 ( -19.844 8.296 0.000) 21.509 6.466 ( -16.438 -4.552 0.000) 17.057 6.588 ( -3.525 1.451 0.000) 3.812 6.619 ( -4.708 -1.543 0.000) 4.954 7.525 ( 1.204 3.546 0.000) 3.745 7.612 ( -2.591 -4.756 0.000) 5.416 9.793 ( 1.596 3.555 0.000) 3.896 9.935 ( -4.499 -10.029 0.000) 10.992 10.989 ( 1.031 0.322 0.000) 1.080 10.997 ( 0.624 -0.451 0.000) 0.770 11.020 ( 10.254 9.060 0.000) 13.683 11.044 ( 1.552 0.713 0.000) 1.708 11.057 ( 1.068 -0.519 0.000) 1.187 11.169 ( 6.437 -5.735 0.000) 8.621 11.461 ( 0.029 0.876 0.000) 0.876 11.479 ( -0.850 -0.904 0.000) 1.241 12.312 ( -0.063 11.714 0.000) 11.714 12.459 ( -6.568 -1.795 0.000) 6.809 12.909 ( -2.008 4.162 0.000) 4.621 13.126 ( -9.937 -16.074 0.000) 18.898 15.584 ( 20.883 7.682 0.000) 22.252 15.781 ( 14.506 -11.829 0.000) 18.718 16.741 ( -15.180 5.200 0.000) 16.046 16.777 ( -17.350 1.881 0.000) 17.452 18.820 ( 0.874 3.603 0.000) 3.707 18.880 ( -2.055 -2.198 0.000) 3.009 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -2.615 0.055 0.000) 2.615 1.661 ( 2.615 0.055 0.000) 2.615 2.205 ( -11.952 2.673 0.000) 12.248 2.205 ( 11.952 2.673 0.000) 12.248 2.646 ( -14.947 -2.461 0.000) 15.149 2.646 ( 14.947 -2.461 0.000) 15.149 3.125 ( -4.381 0.127 0.000) 4.383 3.125 ( 4.381 0.127 0.000) 4.383 3.209 ( -5.274 -5.717 0.000) 7.779 3.209 ( 5.274 -5.717 0.000) 7.779 3.421 ( -2.772 -0.033 0.000) 2.773 3.421 ( 2.772 -0.033 0.000) 2.773 4.375 ( -6.898 4.451 0.000) 8.209 4.375 ( 6.898 4.451 0.000) 8.209 5.907 ( -18.603 11.265 0.000) 21.748 5.907 ( 18.603 11.265 0.000) 21.748 6.121 ( -15.243 -9.721 0.000) 18.079 6.121 ( 15.243 -9.721 0.000) 18.079 6.559 ( -0.808 -0.084 0.000) 0.812 6.559 ( 0.808 -0.084 0.000) 0.812 7.562 ( -2.186 -0.328 0.000) 2.210 7.562 ( 2.186 -0.328 0.000) 2.210 9.848 ( -3.623 -3.699 0.000) 5.177 9.848 ( 3.623 -3.699 0.000) 5.177 11.001 ( -0.202 0.052 0.000) 0.209 11.001 ( 0.202 0.052 0.000) 0.209 11.066 ( -0.329 -0.011 0.000) 0.329 11.066 ( 0.329 -0.011 0.000) 0.329 11.187 ( -4.566 3.045 0.000) 5.488 11.187 ( 4.566 3.045 0.000) 5.488 11.465 ( -0.432 -0.024 0.000) 0.432 11.465 ( 0.432 -0.024 0.000) 0.432 12.336 ( -3.940 4.082 0.000) 5.673 12.336 ( 3.940 4.082 0.000) 5.673 12.961 ( -5.845 -5.380 0.000) 7.944 12.961 ( 5.845 -5.380 0.000) 7.944 15.929 ( -6.553 -1.818 0.000) 6.801 15.929 ( 6.553 -1.818 0.000) 6.801 16.531 ( -1.827 2.577 0.000) 3.159 16.531 ( 1.827 2.577 0.000) 3.159 18.844 ( -1.441 0.612 0.000) 1.565 18.844 ( 1.441 0.612 0.000) 1.565 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 26.933) 26.933 0.655 ( 0.000 0.000 31.733) 31.733 1.232 ( 0.000 0.000 60.521) 60.521 2.144 ( 0.000 0.000 23.785) 23.785 2.629 ( 0.000 0.000 3.173) 3.173 2.898 ( 0.000 0.000 -1.283) 1.283 3.128 ( 0.000 0.000 4.904) 4.904 3.201 ( 0.000 0.000 -0.364) 0.364 3.455 ( 0.000 0.000 19.377) 19.377 3.913 ( 0.000 0.000 12.674) 12.674 3.918 ( 0.000 0.000 7.539) 7.539 3.924 ( 0.000 0.000 19.913) 19.913 4.546 ( 0.000 0.000 -1.282) 1.282 4.723 ( 0.000 0.000 2.609) 2.609 4.761 ( 0.000 0.000 -1.992) 1.992 5.255 ( 0.000 0.000 -1.083) 1.083 6.505 ( 0.000 0.000 -4.190) 4.190 6.661 ( 0.000 0.000 -2.918) 2.918 7.461 ( 0.000 0.000 59.416) 59.416 7.509 ( 0.000 0.000 2.990) 2.990 8.048 ( 0.000 0.000 -0.601) 0.601 9.430 ( 0.000 0.000 -6.541) 6.541 9.538 ( 0.000 0.000 -9.268) 9.268 9.810 ( 0.000 0.000 -23.617) 23.617 10.448 ( 0.000 0.000 -23.663) 23.663 10.776 ( 0.000 0.000 14.050) 14.050 10.805 ( 0.000 0.000 -17.765) 17.765 11.020 ( 0.000 0.000 -0.420) 0.420 11.026 ( 0.000 0.000 9.002) 9.002 11.039 ( 0.000 0.000 4.840) 4.840 11.511 ( 0.000 0.000 13.567) 13.567 11.687 ( 0.000 0.000 8.396) 8.396 12.204 ( 0.000 0.000 17.690) 17.690 13.001 ( 0.000 0.000 -5.821) 5.821 13.601 ( 0.000 0.000 -7.803) 7.803 14.068 ( 0.000 0.000 -1.538) 1.538 14.644 ( 0.000 0.000 -2.286) 2.286 15.814 ( 0.000 0.000 -7.214) 7.214 16.300 ( 0.000 0.000 -4.001) 4.001 16.702 ( 0.000 0.000 -9.491) 9.491 18.541 ( 0.000 0.000 -3.091) 3.091 19.040 ( 0.000 0.000 -4.731) 4.731 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.12 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 20.946 0.000 20.607) 29.383 1.007 ( 26.433 0.000 21.475) 34.057 1.523 ( 30.062 0.000 42.288) 51.885 2.130 ( -0.849 0.000 22.503) 22.519 2.640 ( 0.225 0.000 6.060) 6.064 2.770 ( -12.014 0.000 0.428) 12.022 2.979 ( -3.657 0.000 1.590) 3.988 3.246 ( -10.235 0.000 30.800) 32.456 3.277 ( 0.068 0.000 11.134) 11.134 3.867 ( -4.309 0.000 11.469) 12.251 3.891 ( -2.594 0.000 8.108) 8.513 4.163 ( 12.389 0.000 9.016) 15.323 4.384 ( -5.011 0.000 0.706) 5.061 4.543 ( -10.822 0.000 1.145) 10.882 4.832 ( 0.417 0.000 1.117) 1.192 5.525 ( 17.302 0.000 -6.471) 18.473 6.382 ( -8.998 0.000 -3.707) 9.731 6.678 ( -1.091 0.000 -3.223) 3.403 7.422 ( -3.473 0.000 58.402) 58.505 7.478 ( -2.589 0.000 2.923) 3.905 7.999 ( -4.575 0.000 -0.499) 4.602 8.691 ( -52.289 0.000 75.364) 91.727 9.572 ( 3.078 0.000 -8.423) 8.968 9.759 ( 7.064 0.000 -4.958) 8.630 10.530 ( 7.300 0.000 -24.389) 25.458 10.599 ( -3.883 0.000 -14.576) 15.085 10.926 ( 2.970 0.000 -11.761) 12.130 11.026 ( 0.685 0.000 -3.138) 3.212 11.039 ( 0.897 0.000 4.460) 4.549 11.063 ( 2.374 0.000 7.686) 8.044 11.294 ( -7.266 0.000 5.460) 9.089 11.699 ( 0.938 0.000 9.389) 9.436 12.052 ( -2.813 0.000 24.919) 25.078 12.849 ( -12.668 0.000 -4.681) 13.505 13.385 ( -14.578 0.000 -4.284) 15.194 14.372 ( 22.341 0.000 -4.726) 22.835 14.503 ( -14.983 0.000 0.575) 14.994 15.872 ( 5.171 0.000 -7.554) 9.154 16.358 ( 2.644 0.000 -8.603) 9.001 16.845 ( 3.121 0.000 -17.665) 17.939 18.560 ( 1.804 0.000 -3.383) 3.834 19.011 ( -2.667 0.000 -4.727) 5.427 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.25 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 22.521 0.000 8.795) 24.178 1.434 ( 17.401 0.000 30.267) 34.912 2.132 ( 1.488 0.000 23.827) 23.874 2.236 ( 22.338 0.000 10.983) 24.892 2.609 ( -3.025 0.000 9.218) 9.702 2.654 ( 11.067 0.000 4.835) 12.077 2.914 ( -1.912 0.000 1.030) 2.172 3.126 ( -0.345 0.000 29.122) 29.124 3.321 ( 4.515 0.000 16.785) 17.382 3.741 ( -7.688 0.000 10.727) 13.198 3.812 ( -5.031 0.000 8.608) 9.970 3.971 ( -16.915 0.000 1.175) 16.955 4.285 ( -14.491 0.000 1.879) 14.612 4.736 ( 23.832 0.000 4.091) 24.180 4.770 ( -5.910 0.000 3.390) 6.813 5.838 ( 12.515 0.000 -6.533) 14.118 6.178 ( -10.635 0.000 -3.116) 11.082 6.585 ( -7.357 0.000 -3.089) 7.979 7.334 ( -4.502 0.000 56.500) 56.679 7.424 ( -2.341 0.000 5.749) 6.207 7.875 ( -6.784 0.000 0.431) 6.797 7.918 ( -23.745 0.000 77.883) 81.422 9.658 ( 5.029 0.000 -7.478) 9.012 9.962 ( 9.592 0.000 -9.290) 13.353 10.574 ( 1.149 0.000 -14.877) 14.921 10.709 ( 8.760 0.000 -23.778) 25.340 10.965 ( 1.460 0.000 -7.513) 7.653 11.042 ( 0.509 0.000 -8.535) 8.550 11.057 ( 0.718 0.000 5.730) 5.774 11.120 ( 2.459 0.000 1.807) 3.051 11.243 ( 0.493 0.000 -0.792) 0.933 11.695 ( -2.725 0.000 8.409) 8.839 12.054 ( 2.105 0.000 19.361) 19.475 12.582 ( -10.647 0.000 -0.536) 10.660 13.098 ( -11.491 0.000 -1.230) 11.557 14.097 ( -22.091 0.000 3.454) 22.359 14.883 ( 26.065 0.000 -6.566) 26.880 16.004 ( 6.925 0.000 -8.284) 10.797 16.380 ( -0.660 0.000 -8.902) 8.926 16.760 ( -10.093 0.000 -13.889) 17.169 18.612 ( 3.044 0.000 -3.984) 5.014 18.938 ( -4.098 0.000 -4.730) 6.258 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.38 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 12.813 0.000 28.207) 30.981 1.776 ( 13.422 0.000 3.172) 13.792 2.178 ( 1.023 0.000 28.271) 28.290 2.277 ( -5.843 0.000 2.594) 6.393 2.589 ( 4.323 0.000 7.100) 8.313 2.832 ( 1.039 0.000 0.681) 1.242 3.210 ( 8.110 0.000 23.098) 24.480 3.303 ( 21.970 0.000 7.944) 23.362 3.514 ( 15.570 0.000 12.854) 20.191 3.553 ( -10.145 0.000 12.024) 15.732 3.643 ( -7.117 0.000 6.837) 9.869 3.682 ( -7.409 0.000 9.297) 11.889 3.940 ( -17.848 0.000 3.307) 18.152 4.577 ( -13.742 0.000 5.283) 14.722 5.210 ( 21.080 0.000 0.913) 21.100 5.926 ( -13.823 0.000 -2.244) 14.004 6.056 ( 8.949 0.000 -5.406) 10.455 6.407 ( -8.939 0.000 -3.658) 9.659 7.257 ( -2.221 0.000 55.597) 55.641 7.360 ( -4.680 0.000 30.858) 31.211 7.623 ( -5.264 0.000 40.258) 40.600 7.736 ( -6.208 0.000 3.310) 7.035 9.780 ( 6.716 0.000 -8.254) 10.641 10.049 ( -2.129 0.000 -13.699) 13.863 10.696 ( 11.074 0.000 -4.270) 11.869 10.866 ( 6.156 0.000 -20.594) 21.494 10.999 ( 1.649 0.000 -5.413) 5.658 11.037 ( -0.980 0.000 -8.750) 8.804 11.062 ( -0.371 0.000 6.063) 6.074 11.132 ( -2.279 0.000 -1.528) 2.743 11.279 ( 2.667 0.000 -2.957) 3.982 11.545 ( -10.579 0.000 1.682) 10.711 12.130 ( 5.216 0.000 12.192) 13.261 12.422 ( -6.709 0.000 3.353) 7.501 12.998 ( 3.910 0.000 3.338) 5.141 13.638 ( -21.299 0.000 4.933) 21.863 15.437 ( 26.744 0.000 -7.544) 27.788 16.144 ( 6.390 0.000 -9.108) 11.126 16.325 ( -5.666 0.000 -8.062) 9.855 16.464 ( -16.682 0.000 -12.125) 20.623 18.682 ( 3.659 0.000 -4.467) 5.774 18.849 ( -4.307 0.000 -4.740) 6.404 ======================= Grid point 49 (20/120) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.991 0.000 17.567) 17.595 1.921 ( 0.991 0.000 17.567) 17.595 2.167 ( -1.819 0.000 12.331) 12.464 2.167 ( 1.819 0.000 12.331) 12.464 2.781 ( -8.881 0.000 4.743) 10.068 2.781 ( 8.881 0.000 4.743) 10.068 3.364 ( -6.402 0.000 18.033) 19.135 3.364 ( 6.402 0.000 18.033) 19.135 3.505 ( -8.640 0.000 7.204) 11.250 3.505 ( 8.640 0.000 7.204) 11.250 3.610 ( -12.090 0.000 5.762) 13.393 3.610 ( 12.090 0.000 5.762) 13.393 4.155 ( -27.029 0.000 8.355) 28.291 4.155 ( 27.029 0.000 8.355) 28.291 5.605 ( -17.067 0.000 -1.087) 17.101 5.605 ( 17.067 0.000 -1.087) 17.101 6.230 ( -8.164 0.000 -4.465) 9.306 6.230 ( 8.164 0.000 -4.465) 9.306 7.264 ( -3.023 0.000 52.696) 52.783 7.264 ( 3.023 0.000 52.696) 52.783 7.629 ( -3.740 0.000 10.765) 11.396 7.629 ( 3.740 0.000 10.765) 11.396 9.931 ( -7.471 0.000 -11.025) 13.317 9.931 ( 7.471 0.000 -11.025) 13.317 10.937 ( -4.673 0.000 -11.392) 12.313 10.937 ( 4.673 0.000 -11.392) 12.313 11.008 ( -3.948 0.000 -6.505) 7.609 11.008 ( 3.948 0.000 -6.505) 7.609 11.043 ( -1.496 0.000 3.712) 4.002 11.043 ( 1.496 0.000 3.712) 4.002 11.360 ( -5.857 0.000 -2.910) 6.540 11.360 ( 5.857 0.000 -2.910) 6.540 12.266 ( -7.601 0.000 6.169) 9.789 12.266 ( 7.601 0.000 6.169) 9.789 13.235 ( -16.794 0.000 5.516) 17.676 13.235 ( 16.794 0.000 5.516) 17.676 15.973 ( -24.143 0.000 -8.195) 25.496 15.973 ( 24.143 0.000 -8.195) 25.496 16.267 ( -5.585 0.000 -10.139) 11.576 16.267 ( 5.585 0.000 -10.139) 11.576 18.762 ( -4.021 0.000 -4.691) 6.178 18.762 ( 4.021 0.000 -4.691) 6.178 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 17.106 19.819) 26.180 0.802 ( 0.000 23.599 16.905) 29.029 1.614 ( 0.000 29.247 46.670) 55.077 2.044 ( 0.000 -10.331 19.251) 21.848 2.362 ( 0.000 -20.019 5.990) 20.896 2.859 ( 0.000 -3.767 2.217) 4.371 3.149 ( 0.000 -14.393 28.518) 31.944 3.298 ( 0.000 8.752 1.106) 8.822 3.451 ( 0.000 20.083 4.384) 20.555 3.657 ( 0.000 -19.911 18.373) 27.093 3.929 ( 0.000 1.693 13.099) 13.208 3.943 ( 0.000 -0.594 11.204) 11.220 4.337 ( 0.000 -15.636 -2.308) 15.806 4.697 ( 0.000 -6.972 2.174) 7.304 5.048 ( 0.000 16.662 -7.555) 18.295 5.247 ( 0.000 1.577 -1.744) 2.351 6.595 ( 0.000 7.777 -4.343) 8.907 6.733 ( 0.000 5.503 -4.587) 7.164 7.497 ( 0.000 3.850 60.119) 60.242 7.518 ( 0.000 1.209 2.887) 3.130 7.950 ( 0.000 -8.679 -0.033) 8.679 8.875 ( 0.000 -55.129 63.281) 83.927 9.588 ( 0.000 14.824 -7.209) 16.484 9.824 ( 0.000 1.464 -23.040) 23.087 10.026 ( 0.000 -11.491 -12.933) 17.301 10.818 ( 0.000 -17.439 -3.071) 17.707 10.826 ( 0.000 2.021 -16.942) 17.062 10.912 ( 0.000 3.099 -4.547) 5.502 11.025 ( 0.000 -0.543 6.251) 6.275 11.029 ( 0.000 -0.827 5.171) 5.236 11.515 ( 0.000 0.256 13.252) 13.255 11.556 ( 0.000 -4.976 9.680) 10.884 12.265 ( 0.000 6.152 18.124) 19.140 13.093 ( 0.000 8.277 -5.650) 10.021 13.128 ( 0.000 -33.084 34.148) 47.546 13.566 ( 0.000 -3.619 -7.763) 8.565 14.738 ( 0.000 9.082 -2.599) 9.447 15.643 ( 0.000 -14.913 -6.395) 16.226 16.857 ( 0.000 13.298 -11.039) 17.282 17.255 ( 0.000 28.949 -45.431) 53.871 18.604 ( 0.000 7.290 -4.853) 8.757 19.014 ( 0.000 -2.690 -5.075) 5.744 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.12 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 17.678 6.166 17.260) 25.464 1.183 ( 21.233 16.219 19.198) 32.901 1.861 ( 24.107 25.324 32.378) 47.653 2.025 ( -0.594 -10.653 16.665) 19.788 2.357 ( -1.162 -16.839 11.912) 20.660 2.891 ( 2.962 -0.883 0.687) 3.166 3.070 ( -7.121 1.960 14.320) 16.112 3.128 ( -10.130 2.330 17.828) 20.637 3.376 ( -2.193 7.597 14.965) 16.926 3.843 ( 2.438 -4.425 5.045) 7.140 3.886 ( -3.229 0.943 13.239) 13.659 4.013 ( 9.453 -9.074 11.460) 17.408 4.151 ( -9.853 -15.921 1.819) 18.812 4.628 ( -10.239 -0.571 -2.334) 10.517 5.055 ( 0.898 14.949 -1.772) 15.080 5.404 ( 13.340 -6.518 -2.600) 15.073 6.519 ( -6.619 10.274 -5.699) 13.485 6.713 ( -2.803 2.889 -3.748) 5.500 7.459 ( -3.304 3.917 56.635) 56.866 7.493 ( -2.146 1.903 5.123) 5.871 7.909 ( -3.856 -8.043 0.795) 8.955 8.389 ( -32.233 -25.879 79.496) 89.601 9.566 ( 0.988 5.699 -7.099) 9.157 9.863 ( 6.172 5.431 -12.685) 15.116 10.304 ( 15.327 -9.000 -24.483) 30.255 10.765 ( -3.305 6.097 -16.247) 17.665 10.846 ( 2.020 -14.526 -2.997) 14.969 10.929 ( 1.338 -0.816 -11.520) 11.626 11.049 ( 1.973 -0.389 2.860) 3.496 11.052 ( 1.930 -0.685 7.168) 7.455 11.352 ( -5.999 4.840 6.074) 9.813 11.634 ( 2.032 -4.696 12.259) 13.284 12.188 ( -2.064 11.178 21.193) 24.048 12.916 ( -13.984 4.011 -4.535) 15.238 13.190 ( -2.470 -14.388 6.126) 15.831 13.840 ( 15.798 -25.431 2.454) 30.039 14.696 ( -0.478 11.993 -3.028) 12.378 15.635 ( 1.699 -15.404 -5.752) 16.531 16.795 ( -5.081 17.905 -11.638) 21.951 17.116 ( -10.118 19.430 -27.666) 35.289 18.611 ( 1.045 5.731 -4.096) 7.122 18.993 ( -2.180 -2.168 -5.348) 6.168 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.25 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 21.982 -0.459 10.788) 24.491 1.551 ( 14.945 9.986 26.235) 31.802 2.051 ( 3.694 -8.680 18.530) 20.793 2.327 ( 0.023 -9.078 12.505) 15.453 2.479 ( 24.041 11.159 9.257) 28.074 2.839 ( -5.391 10.629 3.357) 12.382 2.977 ( 3.590 1.666 1.436) 4.210 3.093 ( 4.264 1.335 29.004) 29.346 3.354 ( 1.020 3.961 18.480) 18.927 3.749 ( -8.294 -1.470 8.205) 11.759 3.803 ( -13.621 -10.114 4.719) 17.609 3.821 ( -5.479 -1.070 8.897) 10.504 4.325 ( -16.754 0.061 0.640) 16.766 4.393 ( 14.435 -17.290 7.990) 23.899 5.103 ( 5.092 16.339 0.428) 17.120 5.694 ( 13.154 -9.132 -3.571) 16.407 6.338 ( -10.785 10.808 -5.697) 16.297 6.597 ( -8.185 0.792 -3.416) 8.905 7.372 ( -4.808 3.840 56.777) 57.110 7.446 ( -2.209 2.437 5.494) 6.403 7.789 ( -9.420 -6.855 27.754) 30.100 7.864 ( -15.186 -6.527 46.939) 49.764 9.626 ( 4.217 0.002 -6.182) 7.484 9.995 ( 4.328 -0.181 -13.074) 13.773 10.561 ( 9.244 -0.031 -15.566) 18.104 10.757 ( 3.679 4.016 -20.399) 21.113 10.900 ( 2.808 -7.259 -4.375) 8.928 10.960 ( 1.491 -3.588 -13.412) 13.964 11.084 ( 1.348 0.509 4.104) 4.349 11.106 ( 2.564 -1.183 1.966) 3.441 11.298 ( -0.024 5.062 1.610) 5.312 11.654 ( -0.256 -4.177 12.064) 12.769 12.186 ( 0.400 12.115 16.286) 20.302 12.628 ( -11.766 3.749 -1.657) 12.460 13.045 ( -8.370 -3.855 0.745) 9.245 13.849 ( -12.943 -22.360 4.264) 26.185 14.924 ( 21.248 6.569 -5.492) 22.909 15.754 ( 8.947 -16.146 -6.399) 19.536 16.668 ( -7.214 16.024 -10.823) 20.639 16.872 ( -13.752 9.274 -15.919) 22.990 18.649 ( 2.441 3.907 -4.238) 6.259 18.929 ( -3.702 -1.323 -5.106) 6.444 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.38 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 15.783 0.147 11.601) 19.589 1.821 ( 10.748 4.708 21.218) 24.246 2.126 ( 1.932 -4.270 26.983) 27.387 2.399 ( -1.149 8.667 2.492) 9.091 2.475 ( 0.481 -8.550 7.333) 11.274 2.922 ( -0.450 7.089 -0.625) 7.131 3.134 ( 9.371 -5.925 12.239) 16.514 3.283 ( 7.592 -1.077 14.378) 16.295 3.429 ( -6.838 -10.052 5.600) 13.385 3.537 ( 3.235 -3.970 15.885) 16.690 3.601 ( -7.446 2.970 11.938) 14.380 3.744 ( -0.941 2.306 15.107) 15.311 4.004 ( -7.612 6.435 1.098) 10.028 4.531 ( -2.984 -4.848 6.536) 8.667 5.320 ( 15.506 10.251 -0.181) 18.589 5.919 ( 5.479 -3.263 -3.219) 7.143 6.084 ( -10.357 4.686 -4.834) 12.353 6.397 ( -10.439 -1.350 -4.012) 11.264 7.282 ( -3.035 2.397 56.548) 56.680 7.374 ( -5.505 1.220 34.302) 34.763 7.595 ( -3.362 -2.263 35.232) 35.464 7.708 ( -5.251 -2.941 4.002) 7.228 9.732 ( 5.895 -3.065 -6.992) 9.645 9.992 ( -4.186 -6.001 -12.624) 14.591 10.748 ( 9.744 4.191 -6.842) 12.622 10.872 ( 5.542 -0.146 -20.202) 20.948 10.949 ( 1.415 -2.619 -8.065) 8.597 10.984 ( 0.826 -2.671 -10.758) 11.115 11.099 ( 0.077 1.451 4.742) 4.960 11.135 ( -0.227 -0.238 0.229) 0.401 11.329 ( 2.904 4.892 -0.182) 5.692 11.589 ( -6.596 2.110 7.084) 9.907 12.188 ( 1.442 6.543 8.173) 10.568 12.446 ( -7.515 2.005 2.148) 8.069 12.971 ( 3.367 -2.100 3.879) 5.549 13.505 ( -17.598 -12.923 5.182) 22.440 15.431 ( 25.614 1.121 -6.905) 26.552 15.956 ( 8.963 -12.380 -7.305) 16.940 16.491 ( -10.389 9.250 -9.651) 16.930 16.544 ( -16.216 6.758 -12.808) 21.741 18.707 ( 3.059 2.433 -4.572) 6.015 18.849 ( -3.785 -0.246 -4.887) 6.186 ======================= Grid point 58 (25/120) ======================= q-point: (-0.50 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -2.029 1.813 21.054) 21.230 1.941 ( 2.029 1.813 21.054) 21.230 2.197 ( -8.180 2.980 9.921) 13.199 2.197 ( 8.180 2.980 9.921) 13.199 2.756 ( -15.036 -2.772 5.018) 16.092 2.756 ( 15.036 -2.772 5.018) 16.092 3.277 ( -5.259 -9.049 3.115) 10.920 3.277 ( 5.259 -9.049 3.115) 10.920 3.428 ( -8.857 -3.294 16.791) 19.267 3.428 ( 8.857 -3.294 16.791) 19.267 3.608 ( -7.319 -0.245 11.947) 14.013 3.608 ( 7.319 -0.245 11.947) 14.013 4.281 ( -19.489 9.512 6.770) 22.719 4.281 ( 19.489 9.512 6.770) 22.719 5.681 ( -17.713 7.196 -1.788) 19.203 5.681 ( 17.713 7.196 -1.788) 19.203 6.181 ( -9.980 -4.828 -4.406) 11.930 6.181 ( 9.980 -4.828 -4.406) 11.930 7.274 ( -2.584 0.914 54.233) 54.303 7.274 ( 2.584 0.914 54.233) 54.303 7.615 ( -3.467 -1.235 9.862) 10.526 7.615 ( 3.467 -1.235 9.862) 10.526 9.867 ( -6.871 -5.507 -9.439) 12.909 9.867 ( 6.871 -5.507 -9.439) 12.909 10.911 ( -3.999 -3.478 -11.137) 12.334 10.911 ( 3.999 -3.478 -11.137) 12.334 10.978 ( -2.460 1.637 -12.364) 12.712 10.978 ( 2.460 1.637 -12.364) 12.712 11.104 ( -1.354 2.092 4.599) 5.231 11.104 ( 1.354 2.092 4.599) 5.231 11.428 ( -6.925 6.117 1.803) 9.414 11.428 ( 6.925 6.116 1.803) 9.414 12.284 ( -7.185 1.849 4.033) 8.444 12.284 ( 7.185 1.849 4.033) 8.444 13.168 ( -13.991 -6.199 5.580) 16.289 13.168 ( 13.991 -6.199 5.580) 16.289 15.920 ( -18.008 -3.830 -7.334) 19.818 15.920 ( 18.008 -3.830 -7.334) 19.818 16.334 ( -4.562 5.061 -10.829) 12.795 16.334 ( 4.562 5.061 -10.829) 12.795 18.774 ( -3.427 1.047 -4.756) 5.955 18.774 ( 3.427 1.047 -4.756) 5.955 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 27.176 6.121) 27.857 1.309 ( 0.000 26.506 10.042) 28.344 1.733 ( 0.000 -21.056 9.555) 23.123 1.814 ( 0.000 -21.638 8.365) 23.199 2.315 ( 0.000 26.368 32.734) 42.033 2.734 ( 0.000 -11.346 13.548) 17.672 2.988 ( 0.000 -1.047 27.107) 27.127 3.161 ( 0.000 -19.445 27.464) 33.651 3.616 ( 0.000 16.174 -1.402) 16.235 3.821 ( 0.000 10.731 2.275) 10.969 3.919 ( 0.000 -1.822 9.673) 9.843 3.986 ( 0.000 -18.619 -1.126) 18.653 4.038 ( 0.000 13.763 10.397) 17.249 4.415 ( 0.000 -19.533 3.103) 19.778 5.278 ( 0.000 6.387 -6.513) 9.122 5.309 ( 0.000 2.419 -3.842) 4.540 6.747 ( 0.000 6.317 -4.676) 7.859 6.806 ( 0.000 0.717 -4.827) 4.880 7.572 ( 0.000 4.509 4.683) 6.501 7.613 ( 0.000 5.986 51.194) 51.543 7.787 ( 0.000 -3.652 13.364) 13.854 8.054 ( 0.000 -27.526 68.983) 74.272 9.859 ( 0.000 2.781 -25.496) 25.647 9.914 ( 0.000 -3.263 -22.262) 22.499 9.963 ( 0.000 21.366 -4.583) 21.852 10.408 ( 0.000 -22.799 -5.725) 23.506 10.877 ( 0.000 2.832 -14.318) 14.596 10.922 ( 0.000 -1.338 -9.202) 9.298 11.012 ( 0.000 -0.478 5.760) 5.780 11.013 ( 0.000 -0.603 5.926) 5.957 11.517 ( 0.000 -0.291 9.945) 9.949 11.517 ( 0.000 -0.071 11.690) 11.690 12.439 ( 0.000 11.283 19.862) 22.843 12.703 ( 0.000 -15.755 24.177) 28.857 13.285 ( 0.000 9.993 -7.203) 12.319 13.458 ( 0.000 -7.305 -7.602) 10.543 14.982 ( 0.000 15.147 -3.664) 15.584 15.310 ( 0.000 -17.649 -5.029) 18.352 17.143 ( 0.000 14.520 -15.247) 21.055 17.377 ( 0.000 -7.374 -24.851) 25.922 18.783 ( 0.000 9.112 -7.086) 11.543 18.931 ( 0.000 -5.834 -6.056) 8.409 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.12 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 5.677 22.154 7.328) 24.015 1.558 ( 12.469 17.832 16.558) 27.343 1.677 ( 1.105 -19.540 5.986) 20.467 1.958 ( 7.482 -17.572 17.506) 25.908 2.460 ( 13.529 24.643 22.153) 35.793 2.794 ( 5.421 -8.840 8.415) 13.354 3.023 ( 4.260 3.081 26.723) 27.235 3.251 ( 7.092 -16.443 24.024) 29.963 3.427 ( -13.451 16.680 1.629) 21.489 3.778 ( -13.122 -17.076 0.414) 21.540 3.869 ( 0.332 4.287 7.591) 8.724 3.924 ( -2.963 -2.412 11.748) 12.354 4.036 ( 0.973 14.052 6.215) 15.396 4.408 ( -4.395 -18.760 0.336) 19.271 5.288 ( 1.942 7.805 -3.205) 8.658 5.361 ( 5.680 -0.567 -3.067) 6.480 6.690 ( -5.634 6.198 -5.281) 9.902 6.750 ( -5.139 -0.059 -4.353) 6.735 7.558 ( -1.247 5.574 4.683) 7.386 7.589 ( -2.635 7.700 55.402) 55.996 7.741 ( -3.903 -6.704 7.249) 10.617 7.913 ( -11.468 -19.697 67.989) 71.708 9.755 ( -4.260 10.518 -11.833) 16.395 9.898 ( 1.236 -2.950 -16.400) 16.709 10.266 ( 17.549 6.173 -18.273) 26.077 10.514 ( 9.428 -16.939 -8.530) 21.180 10.854 ( -1.675 3.499 -14.195) 14.716 10.907 ( -0.736 -1.823 -11.868) 12.030 11.035 ( 2.067 -0.323 5.351) 5.746 11.040 ( 1.969 -0.673 4.374) 4.844 11.451 ( -2.950 4.920 8.763) 10.473 11.543 ( 0.207 -4.539 11.568) 12.429 12.440 ( 0.892 14.183 19.048) 23.765 12.740 ( 0.019 -16.058 15.171) 22.091 13.212 ( -5.939 11.478 -4.212) 13.592 13.473 ( -0.580 -14.854 -4.019) 15.399 14.977 ( 1.602 16.056 -3.975) 16.618 15.308 ( 1.602 -17.267 -4.967) 18.038 17.084 ( -5.777 12.593 -14.349) 19.946 17.259 ( -10.323 -3.451 -20.875) 23.543 18.766 ( -1.013 8.688 -5.870) 10.534 18.914 ( -1.623 -5.936 -5.948) 8.559 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.25 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 16.554 12.534 8.067) 22.276 1.748 ( 9.219 -6.027 14.941) 18.562 1.826 ( 9.731 2.327 18.670) 21.182 2.068 ( 3.806 -13.347 23.472) 27.268 2.777 ( 12.514 12.086 3.355) 17.719 2.922 ( 5.825 -4.511 4.245) 8.503 3.065 ( -11.351 13.126 6.041) 18.374 3.241 ( 8.479 9.083 19.180) 22.854 3.388 ( -0.692 -6.224 15.043) 16.294 3.489 ( -9.770 -11.295 9.508) 17.704 3.814 ( -6.339 3.154 9.701) 12.010 3.835 ( -3.884 1.162 15.095) 15.630 4.135 ( 8.601 -5.483 6.183) 11.928 4.223 ( -9.495 -9.138 1.828) 13.304 5.375 ( 6.485 11.086 -1.404) 12.920 5.545 ( 10.933 -6.924 -2.383) 13.159 6.513 ( -11.384 6.519 -5.668) 14.290 6.593 ( -10.057 -1.780 -4.330) 11.093 7.484 ( -6.949 7.394 59.900) 60.753 7.525 ( -2.954 5.593 4.912) 8.008 7.644 ( -7.426 -7.457 44.768) 45.988 7.687 ( -5.473 -9.886 21.462) 24.255 9.711 ( -0.492 8.185 -7.598) 11.179 9.896 ( -1.588 -8.919 -11.940) 14.988 10.608 ( 14.259 4.853 -15.195) 21.395 10.737 ( 9.950 -7.913 -11.682) 17.266 10.840 ( 1.238 3.947 -16.773) 17.276 10.905 ( 0.700 -2.745 -15.646) 15.901 11.083 ( 1.995 -0.226 4.586) 5.006 11.086 ( 2.501 -0.623 3.489) 4.337 11.417 ( -0.081 6.631 7.105) 9.719 11.547 ( 0.575 -6.298 11.592) 13.205 12.456 ( -0.836 13.357 13.079) 18.713 12.645 ( -8.036 -4.494 3.441) 9.830 13.061 ( -7.471 8.603 0.952) 11.434 13.381 ( -8.011 -22.191 2.478) 23.722 15.138 ( 14.353 13.961 -5.100) 20.662 15.437 ( 10.873 -15.976 -5.507) 20.095 16.904 ( -11.406 8.503 -12.606) 19.008 16.989 ( -15.202 0.647 -15.376) 21.632 18.757 ( 0.138 6.404 -5.005) 8.129 18.871 ( -2.264 -4.653 -5.397) 7.477 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.38 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 15.161 7.111 13.430) 21.466 1.925 ( 6.362 2.383 23.340) 24.308 2.035 ( 8.907 -1.755 20.644) 22.552 2.195 ( 11.115 -13.538 11.762) 21.099 2.699 ( -13.168 17.135 1.346) 21.652 3.030 ( 5.882 -2.213 -1.864) 6.555 3.039 ( -9.744 -4.985 3.605) 11.523 3.089 ( -1.578 -9.570 2.638) 10.051 3.377 ( -1.846 4.434 20.504) 21.059 3.474 ( -1.636 -4.017 19.005) 19.493 3.666 ( -6.766 3.309 11.903) 14.086 3.731 ( -7.282 -2.945 14.176) 16.207 4.181 ( 10.967 10.824 4.951) 16.185 4.389 ( 10.091 -9.390 7.358) 15.624 5.557 ( 11.304 12.661 -1.748) 17.063 5.783 ( 11.888 -9.747 -2.998) 15.663 6.218 ( -16.650 7.424 -4.987) 18.900 6.341 ( -13.779 -4.612 -4.697) 15.270 7.341 ( -5.507 3.211 58.110) 58.459 7.386 ( -7.596 -0.750 50.244) 50.820 7.572 ( 0.060 0.854 16.564) 16.586 7.631 ( -2.008 -4.302 5.266) 7.090 9.723 ( 1.467 2.914 -6.847) 7.584 9.840 ( -3.434 -8.141 -9.173) 12.736 10.814 ( 4.665 2.044 -12.766) 13.745 10.844 ( 2.392 -1.674 -16.502) 16.758 10.943 ( 5.302 0.794 -14.638) 15.589 10.954 ( 4.876 -0.542 -14.545) 15.350 11.113 ( 0.710 0.375 4.972) 5.036 11.124 ( 0.800 -0.674 2.832) 3.019 11.452 ( 3.408 6.871 6.924) 10.333 11.568 ( 0.814 -4.156 10.837) 11.635 12.367 ( -5.884 9.341 2.756) 11.379 12.470 ( -8.305 -0.846 0.343) 8.355 12.974 ( 0.045 4.649 5.382) 7.112 13.195 ( -8.754 -16.183 5.550) 19.218 15.521 ( 20.474 7.842 -6.208) 22.787 15.717 ( 14.214 -11.560 -6.348) 19.390 16.625 ( -14.923 4.394 -11.284) 19.218 16.649 ( -16.222 2.370 -12.501) 20.616 18.768 ( 0.916 3.457 -4.831) 6.010 18.827 ( -1.903 -2.178 -4.995) 5.771 ======================= Grid point 67 (30/120) ======================= q-point: (-0.50 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -1.881 1.235 27.215) 27.308 1.976 ( 1.881 1.235 27.215) 27.308 2.269 ( -11.136 3.266 6.744) 13.423 2.269 ( 11.136 3.266 6.744) 13.423 2.676 ( -15.673 -4.076 3.294) 16.526 2.676 ( 15.673 -4.076 3.294) 16.526 3.123 ( -2.751 -4.426 -3.914) 6.518 3.123 ( 2.751 -4.426 -3.914) 6.518 3.394 ( -3.752 -0.762 22.784) 23.104 3.394 ( 3.752 -0.762 22.784) 23.104 3.603 ( -2.680 -0.185 13.249) 13.519 3.603 ( 2.680 -0.185 13.249) 13.519 4.432 ( -7.121 4.472 6.205) 10.451 4.432 ( 7.121 4.472 6.205) 10.451 5.856 ( -17.001 9.706 -3.183) 19.833 5.856 ( 17.001 9.706 -3.183) 19.833 6.047 ( -13.698 -8.439 -3.984) 16.575 6.047 ( 13.698 -8.439 -3.984) 16.575 7.291 ( -1.092 0.547 57.104) 57.117 7.291 ( 1.092 0.547 57.104) 57.117 7.592 ( -1.599 -0.727 8.058) 8.247 7.592 ( 1.599 -0.727 8.058) 8.247 9.770 ( -2.996 -3.127 -7.604) 8.751 9.770 ( 2.996 -3.127 -7.604) 8.751 10.860 ( -0.758 -1.400 -15.947) 16.026 10.860 ( 0.758 -1.400 -15.947) 16.026 11.016 ( -0.530 1.357 -13.767) 13.844 11.016 ( 0.530 1.357 -13.767) 13.844 11.120 ( -0.502 0.042 5.201) 5.226 11.120 ( 0.502 0.042 5.201) 5.226 11.539 ( -3.807 3.649 8.714) 10.185 11.539 ( 3.807 3.649 8.714) 10.185 12.330 ( -3.428 2.084 -0.638) 4.062 12.330 ( 3.428 2.084 -0.638) 4.062 13.042 ( -5.701 -4.778 6.291) 9.742 13.042 ( 5.701 -4.778 6.291) 9.742 15.863 ( -6.649 -1.561 -6.394) 9.356 15.863 ( 6.649 -1.561 -6.394) 9.356 16.414 ( -1.863 2.388 -11.530) 11.921 16.414 ( 1.863 2.388 -11.530) 11.921 18.793 ( -1.404 0.588 -4.838) 5.072 18.793 ( 1.404 0.588 -4.838) 5.072 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 0.000 29.359) 29.359 1.250 ( 0.000 0.000 27.381) 27.381 2.399 ( 0.000 0.000 55.513) 55.513 2.674 ( 0.000 0.000 25.996) 25.996 2.750 ( 0.000 0.000 9.291) 9.291 2.886 ( 0.000 0.000 -0.306) 0.306 3.152 ( 0.000 0.000 -3.668) 3.668 3.261 ( 0.000 0.000 7.979) 7.979 3.951 ( 0.000 0.000 27.400) 27.400 4.131 ( 0.000 0.000 13.713) 13.713 4.243 ( 0.000 0.000 18.979) 18.979 4.467 ( 0.000 0.000 32.511) 32.511 4.530 ( 0.000 0.000 1.180) 1.180 4.701 ( 0.000 0.000 -3.830) 3.830 4.872 ( 0.000 0.000 12.276) 12.276 5.215 ( 0.000 0.000 -3.040) 3.040 6.387 ( 0.000 0.000 -7.413) 7.413 6.575 ( 0.000 0.000 -5.647) 5.647 7.598 ( 0.000 0.000 5.849) 5.849 8.037 ( 0.000 0.000 -0.252) 0.252 8.832 ( 0.000 0.000 70.149) 70.149 9.062 ( 0.000 0.000 -28.979) 28.979 9.261 ( 0.000 0.000 -18.365) 18.365 9.431 ( 0.000 0.000 -14.606) 14.606 9.953 ( 0.000 0.000 -23.998) 23.998 10.475 ( 0.000 0.000 -11.579) 11.579 10.921 ( 0.000 0.000 -2.372) 2.372 11.193 ( 0.000 0.000 11.017) 11.017 11.224 ( 0.000 0.000 10.699) 10.699 11.246 ( 0.000 0.000 24.767) 24.767 11.789 ( 0.000 0.000 11.892) 11.892 11.829 ( 0.000 0.000 5.041) 5.041 12.554 ( 0.000 0.000 16.631) 16.631 12.825 ( 0.000 0.000 -11.477) 11.477 13.370 ( 0.000 0.000 -15.182) 15.182 14.030 ( 0.000 0.000 -2.054) 2.054 14.579 ( 0.000 0.000 -4.078) 4.078 15.614 ( 0.000 0.000 -12.379) 12.379 16.176 ( 0.000 0.000 -8.504) 8.504 16.435 ( 0.000 0.000 -16.702) 16.702 18.455 ( 0.000 0.000 -5.228) 5.228 18.920 ( 0.000 0.000 -6.732) 6.732 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.12 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 10.386 0.000 22.843) 25.093 1.403 ( 25.387 0.000 21.380) 33.191 2.502 ( 8.191 0.000 46.351) 47.069 2.570 ( -3.802 0.000 17.975) 18.372 2.804 ( -5.206 0.000 5.827) 7.814 2.895 ( 7.209 0.000 19.775) 21.048 3.018 ( -4.428 0.000 2.581) 5.125 3.452 ( 9.425 0.000 6.607) 11.510 3.838 ( -8.680 0.000 26.440) 27.828 4.074 ( -5.534 0.000 12.076) 13.284 4.204 ( -3.275 0.000 18.986) 19.266 4.367 ( -11.176 0.000 8.312) 13.928 4.568 ( -9.615 0.000 0.118) 9.616 4.597 ( 11.351 0.000 24.713) 27.195 4.926 ( 1.779 0.000 9.671) 9.833 5.420 ( 14.748 0.000 -5.276) 15.663 6.275 ( -8.300 0.000 -6.749) 10.697 6.588 ( -0.887 0.000 -5.597) 5.667 7.561 ( -2.945 0.000 5.410) 6.160 7.986 ( -4.635 0.000 -0.277) 4.644 8.771 ( -5.042 0.000 67.811) 67.998 9.131 ( 4.813 0.000 -16.714) 17.393 9.330 ( 5.704 0.000 -14.820) 15.880 9.509 ( 6.626 0.000 -15.829) 17.160 10.010 ( 5.398 0.000 -25.678) 26.239 10.484 ( 0.631 0.000 -8.060) 8.085 10.899 ( -3.566 0.000 3.168) 4.770 11.100 ( -15.479 0.000 23.908) 28.481 11.171 ( -0.518 0.000 8.827) 8.843 11.258 ( 1.517 0.000 11.963) 12.059 11.541 ( -12.151 0.000 14.616) 19.007 11.844 ( 0.531 0.000 4.353) 4.386 12.502 ( -3.033 0.000 19.615) 19.848 12.710 ( -8.955 0.000 -8.929) 12.646 13.250 ( -9.422 0.000 -9.390) 13.302 14.249 ( 18.140 0.000 -7.112) 19.485 14.474 ( -11.270 0.000 -3.174) 11.709 15.662 ( 4.311 0.000 -13.001) 13.697 16.138 ( -1.646 0.000 -13.028) 13.131 16.489 ( 1.521 0.000 -18.445) 18.508 18.468 ( 1.242 0.000 -5.532) 5.670 18.891 ( -2.630 0.000 -6.675) 7.175 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.25 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 13.402 0.000 14.011) 19.389 1.930 ( 22.392 0.000 18.872) 29.284 2.526 ( -5.038 0.000 10.456) 11.607 2.568 ( 3.998 0.000 17.368) 17.823 2.856 ( 3.071 0.000 12.032) 12.418 2.977 ( -0.013 0.000 26.692) 26.692 3.077 ( 16.092 0.000 23.062) 28.122 3.586 ( 2.005 0.000 9.616) 9.823 3.714 ( -0.052 0.000 22.515) 22.515 3.917 ( -8.926 0.000 8.007) 11.991 4.121 ( -4.695 0.000 19.351) 19.913 4.133 ( -10.162 0.000 18.434) 21.049 4.331 ( -13.418 0.000 2.018) 13.569 4.905 ( -3.643 0.000 10.918) 11.510 4.907 ( 17.128 0.000 14.202) 22.251 5.714 ( 12.715 0.000 -6.456) 14.260 6.091 ( -9.447 0.000 -5.406) 10.884 6.505 ( -6.870 0.000 -4.656) 8.299 7.509 ( -1.448 0.000 4.750) 4.966 7.861 ( -6.982 0.000 0.473) 6.998 8.666 ( -4.108 0.000 65.533) 65.662 9.150 ( -5.221 0.000 23.244) 23.824 9.457 ( 5.853 0.000 -11.320) 12.744 9.649 ( 5.339 0.000 -18.607) 19.358 10.164 ( 8.779 0.000 -27.902) 29.250 10.492 ( 0.921 0.000 7.794) 7.848 10.673 ( -8.509 0.000 0.047) 8.509 10.960 ( 0.338 0.000 -2.743) 2.764 11.179 ( 0.694 0.000 5.818) 5.859 11.267 ( -0.546 0.000 12.624) 12.636 11.435 ( -1.312 0.000 14.322) 14.382 11.784 ( -7.691 0.000 0.533) 7.710 12.449 ( -2.160 0.000 18.832) 18.956 12.558 ( -4.356 0.000 -2.095) 4.834 13.061 ( -6.669 0.000 -2.505) 7.124 14.134 ( -19.769 0.000 -0.142) 19.770 14.698 ( 24.028 0.000 -11.588) 26.676 15.772 ( 5.797 0.000 -14.358) 15.484 16.111 ( -1.614 0.000 -17.595) 17.669 16.423 ( -8.127 0.000 -18.681) 20.372 18.507 ( 2.443 0.000 -6.105) 6.575 18.819 ( -4.084 0.000 -6.583) 7.747 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.38 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 11.156 0.000 7.562) 13.477 2.224 ( 1.296 0.000 11.839) 11.910 2.484 ( 6.240 0.000 20.410) 21.343 2.732 ( 10.805 0.000 17.136) 20.259 2.897 ( -7.002 0.000 30.305) 31.103 2.916 ( 4.613 0.000 7.841) 9.097 3.468 ( 12.481 0.000 10.459) 16.284 3.559 ( -0.518 0.000 6.742) 6.762 3.710 ( -11.015 0.000 4.532) 11.911 3.799 ( 4.083 0.000 22.846) 23.208 4.004 ( -8.484 0.000 15.677) 17.826 4.035 ( -11.919 0.000 9.614) 15.313 4.080 ( 10.398 0.000 29.985) 31.737 4.767 ( -10.372 0.000 14.121) 17.521 5.266 ( 16.702 0.000 5.551) 17.600 5.868 ( -12.189 0.000 -3.249) 12.615 5.946 ( 9.916 0.000 -5.837) 11.506 6.331 ( -9.188 0.000 -3.928) 9.992 7.514 ( 2.005 0.000 4.108) 4.572 7.713 ( -6.841 0.000 2.048) 7.141 8.631 ( 1.194 0.000 64.970) 64.981 8.941 ( -12.168 0.000 56.981) 58.266 9.566 ( 4.739 0.000 -11.949) 12.854 9.701 ( -0.250 0.000 -18.995) 18.996 10.345 ( 8.016 0.000 -27.299) 28.452 10.553 ( -0.489 0.000 -16.696) 16.703 10.667 ( 10.139 0.000 -0.407) 10.147 11.010 ( 4.158 0.000 -0.914) 4.257 11.148 ( -4.709 0.000 1.410) 4.916 11.244 ( -2.644 0.000 12.047) 12.334 11.427 ( 0.196 0.000 12.820) 12.822 11.559 ( -10.878 0.000 0.514) 10.890 12.414 ( -0.918 0.000 14.983) 15.011 12.488 ( -3.632 0.000 2.889) 4.641 13.061 ( 7.444 0.000 2.421) 7.828 13.711 ( -20.089 0.000 1.631) 20.155 15.218 ( 25.439 0.000 -14.035) 29.054 15.889 ( 5.210 0.000 -15.861) 16.695 16.060 ( -3.365 0.000 -19.248) 19.540 16.158 ( -16.891 0.000 -16.520) 23.626 18.567 ( 3.335 0.000 -6.486) 7.293 18.730 ( -4.316 0.000 -6.562) 7.854 ======================= Grid point 94 (35/120) ======================= q-point: (-0.50 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -9.151 0.000 5.589) 10.723 2.097 ( 9.151 0.000 5.589) 10.723 2.701 ( -10.751 0.000 32.035) 33.791 2.701 ( 10.751 0.000 32.035) 33.791 2.944 ( -5.552 0.000 11.020) 12.340 2.944 ( 5.552 0.000 11.020) 12.340 3.505 ( -5.556 0.000 0.989) 5.643 3.505 ( 5.556 0.000 0.989) 5.643 3.752 ( -11.354 0.000 10.030) 15.150 3.752 ( 11.354 0.000 10.030) 15.150 3.895 ( -5.606 0.000 22.942) 23.617 3.895 ( 5.606 0.000 22.942) 23.617 4.453 ( -19.332 0.000 21.114) 28.627 4.453 ( 19.332 0.000 21.114) 28.627 5.589 ( -14.467 0.000 0.018) 14.467 5.589 ( 14.467 0.000 0.018) 14.467 6.140 ( -9.081 0.000 -4.528) 10.147 6.140 ( 9.081 0.000 -4.528) 10.147 7.588 ( -4.983 0.000 3.319) 5.987 7.588 ( 4.983 0.000 3.319) 5.987 8.725 ( -7.793 0.000 64.634) 65.102 8.725 ( 7.793 0.000 64.634) 65.102 9.655 ( -3.626 0.000 -15.332) 15.755 9.655 ( 3.626 0.000 -15.332) 15.755 10.483 ( -5.194 0.000 -24.910) 25.445 10.483 ( 5.194 0.000 -24.910) 25.445 10.954 ( -13.926 0.000 -0.800) 13.949 10.954 ( 13.926 0.000 -0.800) 13.949 11.124 ( -6.652 0.000 3.912) 7.717 11.124 ( 6.652 0.000 3.912) 7.717 11.441 ( -1.554 0.000 9.285) 9.414 11.441 ( 1.554 0.000 9.285) 9.414 12.423 ( -1.928 0.000 8.914) 9.120 12.423 ( 1.928 0.000 8.914) 9.120 13.325 ( -16.506 0.000 2.693) 16.724 13.325 ( 16.506 0.000 2.693) 16.724 15.730 ( -23.160 0.000 -16.051) 28.178 15.730 ( 23.160 0.000 -16.051) 28.178 15.986 ( -4.199 0.000 -17.109) 17.617 15.986 ( 4.199 0.000 -17.109) 17.617 18.643 ( -3.942 0.000 -6.586) 7.676 18.643 ( 3.942 0.000 -6.586) 7.676 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 14.953 25.410) 29.483 1.241 ( 0.000 2.608 24.957) 25.093 2.376 ( 0.000 -22.028 10.960) 24.604 2.431 ( 0.000 -12.400 21.566) 24.877 2.710 ( 0.000 13.591 39.716) 41.977 3.050 ( 0.000 8.845 16.511) 18.731 3.260 ( 0.000 10.518 -3.741) 11.163 3.462 ( 0.000 12.531 7.963) 14.847 3.827 ( 0.000 -6.305 27.941) 28.643 4.050 ( 0.000 -9.339 17.551) 19.881 4.250 ( 0.000 -3.530 11.344) 11.880 4.301 ( 0.000 -10.425 5.511) 11.792 4.348 ( 0.000 -8.350 29.379) 30.543 4.827 ( 0.000 -8.492 10.817) 13.752 4.964 ( 0.000 15.351 -1.566) 15.431 5.211 ( 0.000 1.943 -1.418) 2.405 6.473 ( 0.000 7.382 -7.715) 10.678 6.624 ( 0.000 3.929 -6.684) 7.753 7.602 ( 0.000 0.754 5.500) 5.551 7.949 ( 0.000 -7.850 0.357) 7.858 8.839 ( 0.000 1.542 62.890) 62.909 9.147 ( 0.000 7.049 -30.523) 31.326 9.224 ( 0.000 -4.071 -13.096) 13.715 9.546 ( 0.000 11.683 -6.723) 13.479 9.803 ( 0.000 -14.053 -13.728) 19.645 10.511 ( 0.000 3.598 -10.678) 11.267 10.787 ( 0.000 -15.128 -2.079) 15.271 11.017 ( 0.000 -17.175 19.563) 26.032 11.189 ( 0.000 -0.257 11.173) 11.176 11.228 ( 0.000 -0.980 13.827) 13.861 11.785 ( 0.000 -1.725 10.091) 10.237 11.799 ( 0.000 0.720 12.663) 12.683 12.619 ( 0.000 6.659 16.469) 17.764 12.894 ( 0.000 6.617 -12.804) 14.413 13.336 ( 0.000 -3.430 -15.034) 15.421 13.617 ( 0.000 -27.892 14.473) 31.423 14.663 ( 0.000 8.051 -4.804) 9.376 15.464 ( 0.000 -13.134 -11.067) 17.175 16.553 ( 0.000 9.875 -18.678) 21.128 16.556 ( 0.000 23.411 -26.278) 35.194 18.502 ( 0.000 4.891 -5.573) 7.415 18.887 ( 0.000 -3.355 -7.030) 7.789 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.12 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 10.644 0.288 23.039) 25.380 1.548 ( 22.361 12.732 18.927) 31.943 2.281 ( -2.063 -20.509 11.675) 23.689 2.601 ( 10.067 -4.962 24.850) 27.267 2.773 ( 2.376 4.849 30.351) 30.828 3.032 ( 0.559 12.244 16.989) 20.949 3.123 ( -7.739 9.556 2.886) 12.631 3.546 ( 2.917 3.173 10.771) 11.601 3.779 ( -2.712 1.442 25.519) 25.703 4.036 ( -2.434 -6.037 13.664) 15.135 4.140 ( -9.983 -13.292 3.016) 16.895 4.230 ( -3.597 1.195 19.238) 19.608 4.448 ( 9.165 -10.837 26.790) 30.318 4.677 ( -10.955 0.717 6.832) 12.931 5.067 ( 4.102 10.320 4.058) 11.824 5.335 ( 11.467 -4.783 -4.312) 13.152 6.391 ( -6.649 9.306 -7.458) 13.654 6.613 ( -2.173 1.969 -6.214) 6.871 7.568 ( -2.690 1.070 5.073) 5.841 7.910 ( -3.621 -6.984 0.196) 7.869 8.793 ( -3.956 2.710 63.599) 63.780 9.174 ( 1.106 1.339 -8.486) 8.661 9.301 ( 6.514 -1.087 -16.511) 17.783 9.590 ( 3.625 7.133 -8.865) 11.941 9.892 ( 8.466 -9.496 -19.041) 22.900 10.514 ( 0.135 2.740 -8.029) 8.485 10.796 ( 0.414 -16.176 -0.789) 16.201 10.848 ( -14.062 -12.070 16.148) 24.580 11.174 ( -0.134 0.403 9.350) 9.359 11.267 ( 2.121 -1.036 14.530) 14.720 11.607 ( -8.495 5.619 14.614) 17.813 11.864 ( 1.640 0.131 8.936) 9.086 12.582 ( -2.740 7.990 17.560) 19.486 12.761 ( -10.575 5.215 -10.244) 15.619 13.190 ( -8.064 -5.048 -6.254) 11.385 13.885 ( 13.755 -26.117 1.218) 29.543 14.612 ( -2.326 10.672 -5.208) 12.101 15.468 ( 1.715 -14.198 -10.673) 17.845 16.457 ( -4.625 18.673 -21.153) 28.592 16.601 ( -1.021 10.171 -22.694) 24.890 18.510 ( 0.876 4.395 -5.762) 7.300 18.863 ( -2.192 -2.927 -7.058) 7.949 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.25 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 14.970 -0.078 15.458) 21.519 2.023 ( 20.607 8.994 18.576) 29.165 2.340 ( 7.942 -15.752 12.224) 21.462 2.685 ( -7.217 9.663 14.170) 18.607 2.819 ( 8.286 -7.727 18.692) 21.858 2.975 ( -5.796 5.054 13.759) 15.763 3.170 ( 9.174 4.649 21.975) 24.263 3.559 ( -1.056 -2.475 10.419) 10.761 3.764 ( 0.914 7.071 21.652) 22.796 3.935 ( -5.116 -11.991 16.115) 20.728 3.953 ( -6.391 1.181 10.038) 11.958 4.153 ( -3.647 3.053 20.224) 20.776 4.394 ( -15.336 0.169 8.551) 17.559 4.681 ( 9.953 -11.558 19.926) 25.093 5.138 ( 4.828 11.742 4.067) 13.331 5.602 ( 12.701 -7.616 -5.668) 15.857 6.223 ( -9.487 9.768 -6.113) 14.925 6.509 ( -7.688 0.096 -5.109) 9.231 7.520 ( -1.423 1.366 4.388) 4.811 7.810 ( -5.724 -4.934 0.538) 7.577 8.706 ( -3.555 4.212 64.993) 65.227 9.127 ( -6.460 -3.427 32.448) 33.262 9.440 ( 5.916 -0.199 -12.387) 13.729 9.662 ( 2.488 0.441 -14.539) 14.757 10.120 ( 11.793 -3.091 -28.074) 30.607 10.484 ( -3.643 -2.816 3.546) 5.812 10.615 ( -2.247 -2.862 -8.841) 9.560 10.839 ( 2.770 -9.078 -2.454) 9.803 11.193 ( 1.655 1.252 7.746) 8.019 11.295 ( 0.388 0.346 14.345) 14.354 11.499 ( -2.486 6.981 13.680) 15.558 11.851 ( -3.887 3.272 5.969) 7.839 12.470 ( -7.904 4.179 8.209) 12.138 12.599 ( -3.904 3.342 2.354) 5.652 13.037 ( -5.270 -1.402 -1.579) 5.677 13.905 ( -11.505 -21.039 0.711) 23.990 14.770 ( 18.181 8.075 -9.612) 22.094 15.567 ( 7.434 -14.239 -12.064) 20.088 16.347 ( -6.301 14.717 -20.698) 26.167 16.492 ( -9.532 5.842 -20.535) 23.381 18.540 ( 1.982 3.385 -6.225) 7.358 18.802 ( -3.475 -1.881 -6.926) 7.974 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.38 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 13.797 3.211 9.416) 17.009 2.310 ( 2.919 8.072 14.579) 16.918 2.548 ( 3.898 5.956 16.272) 17.761 2.611 ( 12.019 -11.130 16.101) 22.969 2.845 ( -5.154 -4.204 31.482) 32.177 2.966 ( 3.891 3.513 5.360) 7.497 3.307 ( 2.791 -10.097 8.428) 13.445 3.421 ( -11.060 -12.981 4.031) 17.523 3.777 ( -0.552 3.644 12.409) 12.944 3.853 ( -1.758 3.289 22.019) 22.333 3.973 ( -0.243 -2.120 17.326) 17.457 4.071 ( -12.550 2.495 13.495) 18.597 4.175 ( 11.727 9.154 25.197) 29.261 4.752 ( -4.022 -2.432 15.535) 16.231 5.337 ( 13.874 7.192 2.618) 15.845 5.831 ( 7.270 -4.173 -5.269) 9.900 6.000 ( -9.756 5.473 -3.750) 11.798 6.315 ( -10.441 -1.816 -4.182) 11.393 7.521 ( 1.586 0.861 3.713) 4.128 7.687 ( -5.724 -2.575 1.764) 6.519 8.673 ( 0.812 4.165 66.567) 66.702 8.934 ( -10.428 -0.999 60.699) 61.597 9.540 ( 4.079 -1.857 -11.316) 12.172 9.674 ( -1.332 -2.700 -16.978) 17.243 10.315 ( 6.687 -2.836 -30.070) 30.935 10.457 ( -0.168 -7.698 -20.465) 21.865 10.696 ( 8.584 2.701 -2.520) 9.345 10.905 ( 2.660 -6.339 -2.011) 7.163 11.219 ( 0.374 3.934 6.261) 7.404 11.286 ( -1.136 2.083 13.393) 13.602 11.480 ( 0.530 6.536 11.578) 13.306 11.693 ( -9.813 10.461 2.839) 14.622 12.365 ( -1.568 -3.277 8.034) 8.817 12.501 ( -5.894 0.145 4.143) 7.206 13.043 ( 6.209 -0.947 2.855) 6.900 13.583 ( -16.807 -12.270 1.972) 20.903 15.232 ( 24.143 2.596 -12.735) 27.419 15.745 ( 8.607 -10.329 -13.542) 19.082 16.182 ( -10.911 7.804 -21.673) 25.488 16.225 ( -13.793 5.325 -17.112) 22.614 18.590 ( 2.796 2.221 -6.564) 7.473 18.727 ( -3.644 -0.513 -6.762) 7.698 ======================= Grid point 103 (40/120) ======================= q-point: (-0.50 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -11.094 7.437 6.610) 14.902 2.171 ( 11.094 7.437 6.610) 14.902 2.701 ( -8.311 -0.109 32.119) 33.177 2.701 ( 8.311 -0.109 32.119) 33.177 2.917 ( -11.969 -3.377 10.881) 16.524 2.917 ( 11.969 -3.377 10.881) 16.524 3.290 ( -2.459 -14.925 0.979) 15.158 3.290 ( 2.459 -14.925 0.979) 15.158 3.808 ( -5.045 2.162 9.424) 10.905 3.808 ( 5.045 2.162 9.424) 10.905 3.925 ( -3.340 1.879 25.805) 26.088 3.925 ( 3.340 1.879 25.805) 26.088 4.532 ( -16.257 6.800 18.303) 25.407 4.532 ( 16.257 6.800 18.303) 25.407 5.652 ( -15.275 6.008 -0.697) 16.429 5.652 ( 15.275 6.008 -0.697) 16.429 6.095 ( -10.335 -4.530 -4.272) 12.066 6.095 ( 10.335 -4.530 -4.272) 12.066 7.582 ( -4.170 -0.531 2.925) 5.121 7.582 ( 4.170 -0.531 2.925) 5.121 8.750 ( -6.569 2.340 67.282) 67.643 8.750 ( 6.569 2.340 67.282) 67.643 9.619 ( -3.505 -3.191 -14.246) 15.014 9.619 ( 3.505 -3.191 -14.246) 15.014 10.420 ( -3.527 -5.780 -27.616) 28.434 10.420 ( 3.527 -5.780 -27.616) 28.434 10.880 ( -6.296 -2.589 -1.929) 7.076 10.880 ( 6.296 -2.589 -1.929) 7.076 11.241 ( -2.575 5.268 8.793) 10.569 11.241 ( 2.575 5.268 8.793) 10.569 11.529 ( -4.805 9.537 7.047) 12.795 11.529 ( 4.805 9.537 7.047) 12.795 12.392 ( -3.759 -3.127 6.430) 8.078 12.392 ( 3.759 -3.127 6.430) 8.078 13.259 ( -13.684 -5.828 2.833) 15.141 13.259 ( 13.684 -5.828 2.833) 15.141 15.708 ( -18.887 -1.631 -13.694) 23.386 15.708 ( 18.887 -1.631 -13.694) 23.386 16.028 ( -6.069 3.337 -19.068) 20.287 16.028 ( 6.069 3.337 -19.068) 20.287 18.654 ( -3.314 0.910 -6.684) 7.516 18.654 ( 3.314 0.910 -6.684) 7.516 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 18.303 13.859) 22.958 1.609 ( 0.000 20.936 18.399) 27.872 1.902 ( 0.000 -24.525 8.775) 26.048 2.052 ( 0.000 -22.008 15.663) 27.012 3.091 ( 0.000 17.207 41.182) 44.633 3.184 ( 0.000 4.305 26.852) 27.195 3.510 ( 0.000 -0.740 20.333) 20.347 3.522 ( 0.000 13.194 -1.576) 13.288 3.776 ( 0.000 -14.094 24.530) 28.291 3.905 ( 0.000 -8.223 3.454) 8.919 4.008 ( 0.000 5.484 9.166) 10.681 4.208 ( 0.000 -7.187 20.361) 21.592 4.336 ( 0.000 6.085 17.954) 18.957 4.559 ( 0.000 -15.607 11.025) 19.108 5.197 ( 0.000 7.662 -1.266) 7.765 5.260 ( 0.000 0.863 -0.390) 0.947 6.617 ( 0.000 6.023 -8.258) 10.221 6.676 ( 0.000 0.279 -8.078) 8.082 7.648 ( 0.000 4.416 4.347) 6.197 7.779 ( 0.000 -8.436 2.308) 8.745 8.920 ( 0.000 6.937 45.340) 45.867 9.092 ( 0.000 -9.081 12.623) 15.550 9.299 ( 0.000 8.423 -24.555) 25.960 9.505 ( 0.000 -13.446 -9.254) 16.323 9.873 ( 0.000 20.825 0.552) 20.832 10.337 ( 0.000 -25.667 4.843) 26.120 10.613 ( 0.000 6.615 -7.459) 9.970 10.768 ( 0.000 -9.313 0.261) 9.317 11.189 ( 0.000 0.381 11.788) 11.794 11.205 ( 0.000 -1.161 12.755) 12.808 11.786 ( 0.000 1.083 13.321) 13.365 11.804 ( 0.000 -0.407 13.692) 13.698 12.814 ( 0.000 12.900 16.300) 20.787 13.032 ( 0.000 2.536 -7.949) 8.343 13.178 ( 0.000 -12.999 11.933) 17.646 13.237 ( 0.000 -6.514 -14.148) 15.576 14.878 ( 0.000 13.393 -6.510) 14.891 15.170 ( 0.000 -15.691 -8.766) 17.973 16.745 ( 0.000 8.210 -23.176) 24.587 16.815 ( 0.000 3.019 -28.759) 28.917 18.638 ( 0.000 8.146 -7.090) 10.800 18.788 ( 0.000 -6.600 -7.539) 10.020 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.12 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 6.114 14.524 16.855) 23.074 1.829 ( 6.997 -9.627 8.982) 14.910 1.894 ( 12.943 6.903 18.094) 23.293 2.276 ( 14.737 -20.328 13.871) 28.685 3.041 ( -4.228 12.626 29.028) 31.936 3.167 ( -2.036 0.770 27.252) 27.339 3.385 ( -9.440 13.990 2.324) 17.036 3.542 ( 0.888 2.065 15.142) 15.308 3.770 ( -1.897 -10.626 16.306) 19.555 3.881 ( -0.505 -12.931 17.695) 21.922 4.041 ( 2.873 13.267 12.303) 18.320 4.258 ( 3.900 -8.390 21.875) 23.751 4.294 ( -3.093 5.917 18.104) 19.296 4.511 ( -5.459 -14.185 10.513) 18.481 5.243 ( 3.850 6.343 -0.776) 7.461 5.303 ( 5.052 -0.453 -2.249) 5.548 6.559 ( -5.453 6.642 -7.894) 11.669 6.632 ( -4.359 -0.877 -7.341) 8.582 7.621 ( -2.257 4.667 3.883) 6.477 7.751 ( -2.434 -8.167 1.884) 8.728 8.893 ( -2.452 7.585 51.625) 52.237 9.072 ( -2.058 -9.362 26.461) 28.144 9.378 ( 6.165 7.273 -23.117) 25.006 9.555 ( 3.771 -10.153 -10.315) 14.957 9.951 ( 7.358 16.389 -9.375) 20.264 10.347 ( 0.396 -22.339 0.057) 22.343 10.600 ( -0.571 4.510 -7.090) 8.422 10.707 ( -4.052 -6.111 -2.211) 7.658 11.192 ( 0.791 1.449 11.073) 11.195 11.230 ( 1.817 -2.252 13.100) 13.416 11.725 ( -3.534 5.841 14.563) 16.083 11.823 ( 0.313 -3.907 13.363) 13.926 12.770 ( -3.672 9.392 11.598) 15.370 12.872 ( -11.683 2.008 -3.932) 12.489 13.135 ( -1.307 4.095 -3.342) 5.445 13.412 ( 7.323 -20.710 0.451) 21.972 14.865 ( 0.611 14.579 -6.955) 16.165 15.168 ( 1.289 -15.805 -8.859) 18.165 16.701 ( -4.432 7.804 -22.813) 24.515 16.761 ( -5.279 2.712 -26.656) 27.309 18.633 ( -0.277 7.480 -6.912) 10.188 18.773 ( -1.349 -6.169 -7.468) 9.780 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.25 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 14.958 10.428 15.043) 23.639 1.993 ( 12.355 -17.839 12.860) 25.224 2.259 ( 16.251 14.299 18.501) 28.475 2.554 ( 10.513 -14.800 19.918) 26.950 2.941 ( -5.169 11.681 10.583) 16.588 3.082 ( -6.488 0.323 12.180) 13.804 3.208 ( -5.149 5.008 12.926) 14.788 3.428 ( -11.500 -12.558 4.320) 17.567 3.842 ( 8.426 3.721 24.458) 26.134 3.911 ( 1.152 0.471 24.392) 24.424 4.006 ( -5.680 9.933 11.699) 16.364 4.225 ( -4.733 -2.591 21.983) 22.636 4.298 ( -4.283 -1.578 12.976) 13.755 4.459 ( 7.991 -10.845 21.248) 25.159 5.343 ( 6.259 8.565 -1.388) 10.699 5.476 ( 10.419 -5.653 -4.327) 12.619 6.395 ( -10.305 7.017 -6.346) 13.990 6.489 ( -9.412 -2.628 -5.894) 11.412 7.575 ( -1.807 4.417 3.179) 5.735 7.688 ( -3.369 -6.675 1.501) 7.626 8.830 ( -3.198 8.028 61.502) 62.106 9.000 ( -4.801 -8.575 50.247) 51.199 9.490 ( 3.658 5.146 -14.633) 15.937 9.612 ( 1.054 -5.809 -10.668) 12.193 10.139 ( 8.921 6.414 -27.734) 29.831 10.329 ( -1.542 -10.968 -16.699) 20.038 10.626 ( 3.741 2.638 -5.207) 6.933 10.697 ( 3.882 -4.926 -2.551) 6.771 11.226 ( 2.314 2.105 10.727) 11.174 11.270 ( 1.870 -2.166 13.358) 13.661 11.668 ( -1.631 9.008 14.252) 16.938 11.821 ( -0.254 -5.774 13.214) 14.422 12.610 ( -13.145 6.703 -3.491) 15.163 12.658 ( -7.580 1.501 2.941) 8.268 13.089 ( -2.264 9.762 1.984) 10.216 13.440 ( -4.494 -23.438 2.761) 24.024 14.993 ( 12.468 13.649 -9.138) 20.622 15.278 ( 9.561 -14.894 -10.210) 20.433 16.554 ( -9.764 6.018 -21.753) 24.592 16.589 ( -11.337 2.369 -22.975) 25.729 18.633 ( 0.319 5.630 -6.799) 8.833 18.738 ( -1.840 -4.592 -7.207) 8.741 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.38 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 17.117 10.768 11.880) 23.454 2.318 ( 17.476 -15.933 13.033) 27.002 2.503 ( 5.752 10.538 22.753) 25.726 2.676 ( 1.766 -3.261 25.308) 25.578 2.792 ( -7.812 7.893 13.293) 17.321 3.015 ( 0.637 -3.206 1.931) 3.797 3.125 ( -10.516 -8.074 3.815) 13.796 3.168 ( -6.700 -6.950 9.170) 13.315 3.864 ( -4.264 4.644 11.855) 13.427 3.900 ( -2.649 1.234 20.858) 21.062 3.953 ( -0.676 0.449 20.981) 20.996 4.025 ( -8.294 -5.053 22.028) 24.074 4.424 ( 12.690 13.288 19.727) 26.958 4.645 ( 6.579 -8.616 17.965) 20.982 5.519 ( 11.051 10.260 -1.755) 15.181 5.707 ( 11.690 -8.282 -4.527) 15.025 6.131 ( -14.833 6.998 -3.863) 16.850 6.251 ( -13.095 -4.789 -4.312) 14.595 7.555 ( -0.045 2.658 2.712) 3.798 7.621 ( -2.927 -3.785 1.807) 5.114 8.781 ( -1.064 6.180 69.267) 69.550 8.887 ( -5.487 -4.045 67.625) 67.968 9.531 ( 1.037 1.617 -11.636) 11.794 9.599 ( -1.816 -4.473 -12.820) 13.699 10.268 ( 3.627 -0.546 -33.568) 33.767 10.319 ( 0.326 -5.430 -29.019) 29.524 10.756 ( 7.489 3.056 -3.538) 8.829 10.814 ( 5.600 -3.222 -3.060) 7.149 11.271 ( 1.577 1.793 11.204) 11.455 11.296 ( 0.403 -0.663 13.290) 13.313 11.667 ( 1.813 10.495 11.998) 16.043 11.810 ( -1.395 -1.537 11.656) 11.839 12.364 ( -8.733 4.409 -2.924) 10.210 12.467 ( -9.692 -3.929 -0.386) 10.466 13.078 ( 1.486 5.874 4.298) 7.428 13.293 ( -7.984 -14.977 3.483) 17.325 15.342 ( 19.355 8.263 -11.387) 23.928 15.534 ( 13.623 -10.684 -11.733) 20.914 16.299 ( -15.302 3.483 -21.387) 26.527 16.310 ( -13.524 2.329 -19.785) 24.079 18.646 ( 0.935 3.174 -6.796) 7.559 18.701 ( -1.662 -2.154 -6.941) 7.455 ======================= Grid point 112 (45/120) ======================= q-point: (-0.50 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -13.209 12.019 9.351) 20.158 2.373 ( 13.209 12.019 9.351) 20.158 2.657 ( -8.132 -7.144 28.124) 30.135 2.657 ( 8.132 -7.143 28.124) 30.135 2.798 ( -12.754 -5.212 11.919) 18.218 2.798 ( 12.754 -5.212 11.919) 18.218 3.088 ( -4.002 -4.274 0.921) 5.927 3.088 ( 4.002 -4.274 0.921) 5.927 3.834 ( -1.642 0.762 9.119) 9.297 3.834 ( 1.642 0.762 9.119) 9.297 3.941 ( -1.319 0.023 29.506) 29.535 3.941 ( 1.319 0.023 29.506) 29.535 4.652 ( -6.452 3.887 15.821) 17.522 4.652 ( 6.452 3.887 15.821) 17.522 5.802 ( -15.434 8.645 -2.218) 17.829 5.802 ( 15.434 8.645 -2.218) 17.829 5.970 ( -13.193 -7.894 -3.490) 15.766 5.970 ( 13.193 -7.894 -3.490) 15.766 7.572 ( -1.677 -0.354 2.327) 2.890 7.572 ( 1.677 -0.354 2.327) 2.890 8.797 ( -2.725 1.773 72.707) 72.779 8.797 ( 2.725 1.773 72.707) 72.779 9.558 ( -1.758 -2.189 -13.130) 13.427 9.558 ( 1.758 -2.189 -13.130) 13.427 10.315 ( -1.092 -3.431 -32.344) 32.543 10.315 ( 1.092 -3.431 -32.344) 32.543 10.866 ( -1.673 0.178 -3.378) 3.774 10.866 ( 1.673 0.178 -3.378) 3.774 11.291 ( -0.635 0.797 12.262) 12.305 11.291 ( 0.635 0.797 12.262) 12.305 11.742 ( -4.638 8.505 10.109) 14.001 11.742 ( 4.638 8.505 10.109) 14.001 12.312 ( -3.746 -3.888 -1.094) 5.509 12.312 ( 3.746 -3.888 -1.094) 5.509 13.150 ( -5.356 -3.773 3.809) 7.579 13.150 ( 5.356 -3.773 3.809) 7.579 15.684 ( -7.231 -0.641 -11.166) 13.318 15.684 ( 7.231 -0.641 -11.166) 13.318 16.083 ( -2.680 1.709 -21.050) 21.289 16.083 ( 2.680 1.709 -21.050) 21.289 18.670 ( -1.335 0.526 -6.815) 6.964 18.670 ( 1.335 0.526 -6.815) 6.964 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 0.000 28.576) 28.576 1.742 ( 0.000 0.000 21.834) 21.834 2.847 ( 0.000 0.000 -4.470) 4.470 2.995 ( 0.000 0.000 14.386) 14.386 3.100 ( 0.000 0.000 15.861) 15.861 3.110 ( 0.000 0.000 0.789) 0.789 3.310 ( 0.000 0.000 19.806) 19.806 3.542 ( 0.000 0.000 34.356) 34.356 4.311 ( 0.000 0.000 5.630) 5.630 4.465 ( 0.000 0.000 19.145) 19.145 4.554 ( 0.000 0.000 1.456) 1.456 4.685 ( 0.000 0.000 12.081) 12.081 4.795 ( 0.000 0.000 28.064) 28.064 5.049 ( 0.000 0.000 4.100) 4.100 5.188 ( 0.000 0.000 18.254) 18.254 5.234 ( 0.000 0.000 24.853) 24.853 6.223 ( 0.000 0.000 -8.478) 8.478 6.436 ( 0.000 0.000 -8.310) 8.310 7.739 ( 0.000 0.000 8.080) 8.080 8.049 ( 0.000 0.000 1.718) 1.718 8.461 ( 0.000 0.000 -28.790) 28.790 8.833 ( 0.000 0.000 -22.820) 22.820 9.095 ( 0.000 0.000 -18.891) 18.891 9.526 ( 0.000 0.000 -18.835) 18.835 10.035 ( 0.000 0.000 46.221) 46.221 10.386 ( 0.000 0.000 1.833) 1.833 10.841 ( 0.000 0.000 -4.947) 4.947 11.434 ( 0.000 0.000 9.333) 9.333 11.508 ( 0.000 0.000 20.880) 20.880 11.808 ( 0.000 0.000 29.707) 29.707 11.888 ( 0.000 0.000 1.543) 1.543 11.954 ( 0.000 0.000 4.559) 4.559 12.563 ( 0.000 0.000 -13.877) 13.877 12.865 ( 0.000 0.000 14.507) 14.507 13.009 ( 0.000 0.000 -20.164) 20.164 13.987 ( 0.000 0.000 -2.357) 2.357 14.486 ( 0.000 0.000 -5.089) 5.089 15.337 ( 0.000 0.000 -14.814) 14.814 15.958 ( 0.000 0.000 -13.331) 13.331 16.057 ( 0.000 0.000 -20.449) 20.449 18.341 ( 0.000 0.000 -6.021) 6.021 18.789 ( 0.000 0.000 -6.104) 6.104 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.687 0.000 19.556) 20.110 1.866 ( 17.197 0.000 23.961) 29.494 2.746 ( -7.171 0.000 -1.882) 7.414 2.888 ( -3.811 0.000 15.182) 15.653 3.069 ( -2.705 0.000 4.572) 5.312 3.287 ( 11.240 0.000 16.317) 19.813 3.465 ( 12.043 0.000 20.976) 24.187 3.629 ( 6.731 0.000 27.114) 27.937 4.137 ( -12.224 0.000 5.028) 13.217 4.363 ( -9.598 0.000 14.737) 17.587 4.504 ( -5.149 0.000 2.592) 5.765 4.628 ( -4.179 0.000 15.653) 16.201 4.756 ( -3.311 0.000 29.827) 30.010 5.171 ( 7.450 0.000 21.279) 22.546 5.213 ( 1.151 0.000 17.665) 17.703 5.329 ( 9.686 0.000 4.883) 10.847 6.121 ( -7.296 0.000 -8.317) 11.063 6.461 ( 0.363 0.000 -6.921) 6.930 7.690 ( -3.725 0.000 7.274) 8.172 7.993 ( -4.708 0.000 1.270) 4.876 8.616 ( 13.276 0.000 -27.656) 30.678 8.927 ( 7.694 0.000 -20.697) 22.081 9.156 ( 5.349 0.000 -19.488) 20.208 9.549 ( 2.145 0.000 -19.847) 19.963 9.977 ( -4.371 0.000 45.119) 45.331 10.423 ( 3.428 0.000 2.328) 4.144 10.848 ( 0.802 0.000 -4.475) 4.546 11.365 ( -4.012 0.000 8.726) 9.604 11.572 ( 3.375 0.000 20.608) 20.882 11.706 ( -16.794 0.000 23.223) 28.659 11.828 ( -3.004 0.000 19.164) 19.398 11.875 ( -2.336 0.000 -0.334) 2.360 12.511 ( -3.134 0.000 -10.317) 10.782 12.845 ( -1.829 0.000 15.169) 15.278 13.007 ( -0.707 0.000 -14.580) 14.598 14.107 ( 11.429 0.000 -6.657) 13.227 14.390 ( -9.615 0.000 -4.966) 10.822 15.373 ( 3.170 0.000 -15.435) 15.758 15.842 ( -7.067 0.000 -16.469) 17.921 16.101 ( 0.401 0.000 -20.151) 20.155 18.350 ( 0.943 0.000 -6.051) 6.124 18.762 ( -2.441 0.000 -5.938) 6.420 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 6.803 0.000 14.514) 16.029 2.279 ( 18.819 0.000 16.970) 25.340 2.623 ( -2.667 0.000 1.337) 2.983 2.884 ( 3.388 0.000 14.875) 15.256 3.038 ( 0.736 0.000 8.822) 8.853 3.491 ( 7.337 0.000 20.979) 22.225 3.665 ( -2.617 0.000 0.709) 2.712 3.760 ( 10.453 0.000 36.691) 38.151 4.003 ( 3.493 0.000 8.189) 8.903 4.101 ( -14.548 0.000 10.501) 17.942 4.329 ( -11.596 0.000 0.606) 11.612 4.536 ( -4.683 0.000 19.291) 19.851 4.686 ( -2.420 0.000 32.216) 32.306 5.203 ( -2.163 0.000 17.774) 17.905 5.315 ( 7.052 0.000 25.261) 26.227 5.579 ( 12.674 0.000 -6.260) 14.136 5.971 ( -7.112 0.000 -6.250) 9.468 6.413 ( -4.970 0.000 -4.090) 6.436 7.623 ( -2.129 0.000 6.628) 6.961 7.878 ( -5.927 0.000 1.663) 6.156 8.928 ( 14.781 0.000 -25.030) 29.069 9.087 ( 6.699 0.000 -16.183) 17.515 9.285 ( 6.395 0.000 -19.934) 20.935 9.583 ( -0.328 0.000 -15.343) 15.346 9.943 ( 3.406 0.000 35.674) 35.836 10.523 ( 5.975 0.000 3.195) 6.776 10.884 ( 2.952 0.000 -3.584) 4.643 11.255 ( -22.743 0.000 30.783) 38.273 11.281 ( -4.481 0.000 3.367) 5.606 11.622 ( 1.043 0.000 22.984) 23.008 11.748 ( -9.293 0.000 -2.770) 9.697 11.797 ( -1.213 0.000 23.507) 23.539 12.492 ( 1.163 0.000 -4.372) 4.524 12.790 ( -3.497 0.000 15.291) 15.686 12.996 ( 0.935 0.000 -4.033) 4.139 14.095 ( -17.767 0.000 -3.433) 18.095 14.439 ( 19.666 0.000 -13.711) 23.974 15.454 ( 4.294 0.000 -16.810) 17.349 15.712 ( -5.395 0.000 -21.306) 21.978 16.031 ( -7.208 0.000 -20.284) 21.526 18.382 ( 2.220 0.000 -6.036) 6.431 18.694 ( -3.919 0.000 -5.616) 6.849 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 7.291 0.000 9.893) 12.289 2.373 ( -6.013 0.000 5.658) 8.256 2.852 ( 20.351 0.000 14.096) 24.756 3.014 ( 8.399 0.000 12.778) 15.291 3.128 ( 7.361 0.000 12.378) 14.402 3.513 ( -7.698 0.000 -0.408) 7.708 3.535 ( -5.219 0.000 28.941) 29.408 3.792 ( -14.568 0.000 4.907) 15.372 3.930 ( 4.469 0.000 23.459) 23.881 4.075 ( -10.070 0.000 0.606) 10.089 4.179 ( 8.974 0.000 13.956) 16.592 4.433 ( -5.144 0.000 19.546) 20.212 4.720 ( 7.031 0.000 32.074) 32.836 5.122 ( -5.983 0.000 20.080) 20.952 5.468 ( 7.553 0.000 15.152) 16.930 5.811 ( -8.493 0.000 -2.056) 8.739 5.833 ( 11.712 0.000 -4.738) 12.634 6.267 ( -8.697 0.000 -1.850) 8.892 7.612 ( 1.065 0.000 5.834) 5.930 7.759 ( -5.351 0.000 3.041) 6.155 9.168 ( 7.475 0.000 -19.993) 21.345 9.194 ( 3.732 0.000 -13.220) 13.737 9.403 ( 4.725 0.000 -16.879) 17.528 9.538 ( -2.877 0.000 -5.883) 6.549 10.117 ( 11.681 0.000 22.035) 24.939 10.627 ( -1.202 0.000 9.009) 9.089 10.849 ( -7.506 0.000 18.925) 20.359 11.007 ( 6.073 0.000 5.837) 8.423 11.156 ( -7.924 0.000 -0.979) 7.984 11.465 ( -13.391 0.000 4.101) 14.004 11.691 ( 2.111 0.000 18.992) 19.109 11.770 ( -1.401 0.000 22.376) 22.420 12.531 ( 2.465 0.000 1.365) 2.817 12.702 ( -4.790 0.000 13.457) 14.284 13.091 ( 8.524 0.000 0.743) 8.556 13.702 ( -18.993 0.000 -2.227) 19.123 14.889 ( 22.671 0.000 -18.463) 29.238 15.540 ( 3.871 0.000 -18.200) 18.607 15.602 ( -6.299 0.000 -24.721) 25.511 15.813 ( -12.687 0.000 -18.278) 22.250 18.441 ( 3.350 0.000 -5.845) 6.737 18.607 ( -4.326 0.000 -5.453) 6.960 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -7.685 0.000 6.776) 10.246 2.221 ( 7.685 0.000 6.776) 10.246 3.185 ( -5.801 0.000 12.604) 13.875 3.185 ( 5.801 0.000 12.604) 13.875 3.266 ( -18.167 0.000 21.807) 28.383 3.266 ( 18.168 0.000 21.807) 28.383 3.510 ( -10.537 0.000 0.555) 10.552 3.510 ( 10.537 0.000 0.555) 10.552 3.975 ( -1.322 0.000 12.840) 12.908 3.975 ( 1.322 0.000 12.840) 12.908 4.322 ( -5.626 0.000 18.054) 18.910 4.322 ( 5.626 0.000 18.054) 18.910 4.939 ( -11.374 0.000 25.489) 27.912 4.939 ( 11.374 0.000 25.489) 27.912 5.631 ( -8.317 0.000 4.930) 9.668 5.631 ( 8.317 0.000 4.930) 9.668 6.065 ( -10.548 0.000 -2.233) 10.782 6.065 ( 10.548 0.000 -2.233) 10.782 7.663 ( -3.717 0.000 4.580) 5.898 7.663 ( 3.717 0.000 4.580) 5.898 9.238 ( -0.066 0.000 -15.092) 15.092 9.238 ( 0.066 0.000 -15.092) 15.092 9.480 ( -2.902 0.000 -9.425) 9.862 9.480 ( 2.902 0.000 -9.425) 9.862 10.389 ( -14.140 0.000 22.337) 26.437 10.389 ( 14.140 0.000 22.337) 26.437 10.959 ( -10.192 0.000 0.970) 10.238 10.959 ( 10.192 0.000 0.970) 10.238 11.197 ( -11.457 0.000 3.698) 12.039 11.197 ( 11.457 0.000 3.698) 12.039 11.736 ( -1.966 0.000 21.062) 21.154 11.736 ( 1.966 0.000 21.062) 21.154 12.603 ( -4.391 0.000 8.618) 9.672 12.603 ( 4.391 0.000 8.618) 9.672 13.341 ( -15.150 0.000 -0.694) 15.166 13.341 ( 15.150 0.000 -0.694) 15.166 15.339 ( -19.319 0.000 -22.405) 29.584 15.339 ( 19.319 0.000 -22.405) 29.584 15.623 ( -4.886 0.000 -18.399) 19.036 15.623 ( 4.886 0.000 -18.399) 19.036 18.519 ( -4.059 0.000 -5.574) 6.895 18.519 ( 4.059 0.000 -5.574) 6.895 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 -1.805 21.353) 21.429 1.766 ( 0.000 9.208 25.775) 27.370 2.523 ( 0.000 -21.850 5.865) 22.624 2.774 ( 0.000 -16.944 17.230) 24.166 3.174 ( 0.000 9.576 -4.254) 10.478 3.385 ( 0.000 15.415 14.048) 20.856 3.436 ( 0.000 11.287 15.931) 19.525 3.772 ( 0.000 16.195 32.726) 36.514 4.220 ( 0.000 -9.443 2.332) 9.727 4.311 ( 0.000 -12.832 11.784) 17.422 4.405 ( 0.000 -6.543 18.179) 19.321 4.672 ( 0.000 0.816 18.953) 18.970 4.900 ( 0.000 -9.280 13.197) 16.134 5.054 ( 0.000 14.765 14.324) 20.571 5.089 ( 0.000 -12.936 18.521) 22.591 5.306 ( 0.000 5.867 17.358) 18.322 6.298 ( 0.000 6.466 -9.288) 11.317 6.464 ( 0.000 2.248 -9.218) 9.488 7.735 ( 0.000 -0.125 7.600) 7.601 7.966 ( 0.000 -6.763 1.164) 6.863 8.547 ( 0.000 6.924 -27.328) 28.192 8.817 ( 0.000 -1.648 -22.939) 22.998 9.118 ( 0.000 2.547 -16.498) 16.693 9.473 ( 0.000 -5.116 -17.364) 18.102 10.103 ( 0.000 6.638 39.184) 39.742 10.454 ( 0.000 7.098 5.819) 9.179 10.733 ( 0.000 -9.791 -2.889) 10.208 11.368 ( 0.000 -9.324 12.440) 15.546 11.501 ( 0.000 -0.426 20.264) 20.269 11.656 ( 0.000 -9.742 25.079) 26.905 11.943 ( 0.000 3.258 7.592) 8.261 11.985 ( 0.000 2.518 5.899) 6.414 12.610 ( 0.000 4.908 -14.273) 15.093 12.915 ( 0.000 4.437 11.364) 12.200 12.985 ( 0.000 -1.633 -17.483) 17.559 13.783 ( 0.000 -17.340 3.625) 17.715 14.554 ( 0.000 6.597 -5.908) 8.856 15.216 ( 0.000 -10.763 -13.338) 17.139 16.108 ( 0.000 11.320 -20.207) 23.162 16.139 ( 0.000 6.746 -21.980) 22.991 18.384 ( 0.000 4.388 -5.986) 7.422 18.751 ( 0.000 -3.755 -6.267) 7.306 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.664 -1.244 20.115) 20.934 1.953 ( 16.086 7.961 20.956) 27.591 2.500 ( 0.140 -17.706 9.798) 20.237 2.892 ( 7.766 -12.938 12.197) 19.403 3.051 ( -9.011 8.371 1.249) 12.362 3.310 ( -0.294 6.979 12.115) 13.985 3.632 ( 9.768 11.371 16.079) 21.983 3.778 ( -1.596 7.138 29.376) 30.273 4.087 ( -6.312 -2.478 5.206) 8.549 4.269 ( -3.359 -8.625 9.508) 13.270 4.391 ( -4.093 -2.759 18.584) 19.228 4.630 ( -2.947 1.300 19.218) 19.486 4.911 ( -4.963 2.278 18.659) 19.441 5.032 ( 3.948 -7.419 25.405) 26.759 5.219 ( 10.093 -5.556 2.256) 11.740 5.314 ( 0.618 4.512 15.598) 16.250 6.225 ( -5.531 8.430 -8.788) 13.375 6.472 ( -0.653 0.722 -7.678) 7.740 7.690 ( -3.405 0.316 6.965) 7.759 7.926 ( -3.582 -5.885 1.505) 7.052 8.682 ( 11.775 5.624 -27.121) 30.097 8.916 ( 8.179 -1.186 -21.181) 22.736 9.167 ( 4.434 1.540 -16.648) 17.297 9.503 ( 2.949 -4.688 -18.742) 19.543 10.058 ( -4.044 8.222 40.530) 41.553 10.468 ( 1.953 4.612 3.871) 6.330 10.747 ( 1.415 -8.932 -2.602) 9.410 11.278 ( -9.137 -13.546 14.151) 21.616 11.466 ( -3.366 -2.287 21.048) 21.438 11.675 ( 1.463 -3.784 24.670) 25.002 11.866 ( -4.789 4.583 11.600) 13.360 11.985 ( -1.275 6.174 4.379) 7.676 12.536 ( -5.555 3.420 -10.934) 12.732 12.876 ( -3.606 1.404 8.189) 9.057 12.990 ( 0.337 0.571 -8.654) 8.679 13.880 ( 6.848 -18.900 -1.511) 20.159 14.495 ( -4.011 8.888 -6.304) 11.611 15.223 ( 1.216 -11.945 -13.405) 17.996 16.020 ( -5.521 12.625 -21.727) 25.728 16.161 ( -1.040 5.054 -21.969) 22.567 18.390 ( 0.657 4.065 -5.990) 7.269 18.729 ( -2.061 -3.378 -6.135) 7.300 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 8.904 1.357 15.498) 17.925 2.346 ( 18.894 5.905 14.978) 24.823 2.560 ( 5.031 -8.899 8.180) 13.093 2.878 ( -3.822 4.847 8.907) 10.837 3.026 ( 3.414 -4.188 7.911) 9.580 3.375 ( 5.894 -5.470 17.197) 18.984 3.612 ( -9.795 -7.025 5.180) 13.120 3.779 ( -0.602 -1.736 24.685) 24.753 4.085 ( 2.765 6.162 13.006) 14.655 4.153 ( -7.134 4.563 12.936) 15.462 4.300 ( -1.904 2.324 12.194) 12.559 4.570 ( -2.639 4.036 20.113) 20.683 4.753 ( -7.246 2.331 26.861) 27.919 5.131 ( 2.789 -6.949 22.146) 23.378 5.335 ( 3.471 1.622 18.009) 18.412 5.475 ( 12.811 -6.503 -6.430) 15.740 6.098 ( -6.758 9.439 -6.060) 13.096 6.407 ( -5.619 -0.769 -4.627) 7.319 7.628 ( -2.122 0.646 6.355) 6.731 7.833 ( -4.944 -4.203 2.109) 6.823 8.962 ( 13.300 3.056 -24.945) 28.434 9.088 ( 7.301 0.011 -17.017) 18.517 9.280 ( 5.890 0.083 -16.553) 17.570 9.585 ( 3.763 -1.384 -22.109) 22.470 9.981 ( -1.450 5.418 39.652) 40.047 10.550 ( 5.721 2.555 3.283) 7.074 10.794 ( 2.952 -7.688 -1.816) 8.433 10.984 ( -17.167 -17.305 24.430) 34.511 11.407 ( -2.187 5.805 13.955) 15.272 11.693 ( 0.004 2.052 24.708) 24.794 11.802 ( -1.432 2.991 17.767) 18.074 11.895 ( -7.769 11.744 0.173) 14.082 12.445 ( -2.377 -3.381 -4.658) 6.228 12.778 ( -5.617 -2.719 8.106) 10.230 13.003 ( 1.566 2.594 -0.048) 3.030 13.878 ( -9.722 -18.585 -3.073) 21.198 14.555 ( 12.638 9.849 -11.429) 19.681 15.289 ( 5.234 -11.850 -15.215) 19.982 15.891 ( -7.127 11.736 -23.682) 27.374 16.069 ( -7.916 3.102 -21.660) 23.269 18.415 ( 1.769 3.249 -5.974) 7.027 18.672 ( -3.259 -2.318 -5.842) 7.080 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 9.348 5.348 10.624) 15.128 2.463 ( -5.716 8.834 4.924) 11.617 2.822 ( 17.864 -7.575 10.201) 21.922 2.968 ( 11.310 0.444 16.703) 20.177 3.115 ( 6.336 -1.994 8.508) 10.794 3.398 ( -10.245 -9.356 2.887) 14.172 3.466 ( -0.426 -5.988 27.083) 27.740 3.638 ( -11.115 -11.539 13.719) 21.092 3.948 ( -6.282 2.280 7.031) 9.701 4.101 ( -6.198 2.512 9.404) 11.540 4.339 ( 4.541 9.642 18.452) 21.308 4.519 ( -3.470 7.808 22.032) 23.631 4.737 ( 7.540 1.869 28.763) 29.794 5.107 ( -4.553 -1.802 18.355) 18.997 5.475 ( 9.009 1.163 12.418) 15.386 5.729 ( 10.170 -4.624 -3.828) 11.809 5.941 ( -7.110 6.768 -1.718) 9.965 6.247 ( -9.499 -2.067 -1.996) 9.924 7.612 ( 0.681 0.198 5.568) 5.613 7.733 ( -4.512 -2.487 3.205) 6.067 9.172 ( 6.230 0.176 -18.963) 19.961 9.208 ( 4.181 0.987 -16.827) 17.367 9.401 ( 5.813 1.040 -13.548) 14.779 9.597 ( -2.522 5.012 -14.070) 15.148 10.061 ( 8.618 -4.637 28.403) 30.042 10.579 ( -13.265 -9.373 22.150) 27.467 10.732 ( 5.218 -3.629 8.117) 10.310 10.882 ( 3.236 -6.096 0.153) 6.904 11.363 ( -1.428 13.089 7.720) 15.263 11.632 ( -9.607 10.477 14.912) 20.601 11.743 ( -1.547 7.569 9.889) 12.549 11.784 ( -0.802 2.133 19.898) 20.028 12.443 ( 2.089 -8.411 0.771) 8.700 12.652 ( -6.292 -5.672 9.341) 12.611 13.084 ( 6.596 0.325 1.606) 6.796 13.582 ( -15.864 -11.195 -1.719) 19.492 14.934 ( 21.251 4.884 -16.792) 27.522 15.430 ( 8.029 -7.821 -17.520) 20.799 15.708 ( -11.318 7.014 -24.387) 27.786 15.846 ( -12.364 2.455 -20.185) 23.798 18.463 ( 2.771 2.123 -5.852) 6.814 18.600 ( -3.557 -0.826 -5.644) 6.722 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -8.622 8.180 6.610) 13.599 2.303 ( 8.622 8.180 6.610) 13.599 3.139 ( -11.389 -6.246 10.057) 16.428 3.139 ( 11.389 -6.246 10.057) 16.428 3.231 ( -9.683 -4.083 13.423) 17.048 3.231 ( 9.683 -4.083 13.423) 17.048 3.405 ( -6.991 -6.344 16.307) 18.843 3.405 ( 6.991 -6.344 16.307) 18.843 3.955 ( -5.685 -0.761 7.137) 9.156 3.955 ( 5.685 -0.761 7.137) 9.156 4.433 ( -4.397 7.872 22.568) 24.302 4.433 ( 4.397 7.872 22.568) 24.302 4.952 ( -10.171 1.470 21.559) 23.884 4.952 ( 10.171 1.470 21.559) 23.884 5.679 ( -9.994 4.466 4.374) 11.788 5.679 ( 9.994 4.466 4.374) 11.788 6.028 ( -10.951 -3.588 -1.567) 11.630 6.028 ( 10.951 -3.588 -1.567) 11.630 7.653 ( -3.055 -0.941 4.457) 5.485 7.653 ( 3.055 -0.941 4.457) 5.485 9.242 ( -0.970 0.039 -16.960) 16.988 9.242 ( 0.970 0.039 -16.960) 16.988 9.516 ( -4.907 4.002 -10.257) 12.054 9.516 ( 4.907 4.002 -10.257) 12.054 10.288 ( -12.756 -9.509 25.303) 29.889 10.288 ( 12.756 -9.509 25.303) 29.889 10.873 ( -4.953 -3.389 1.187) 6.118 10.873 ( 4.953 -3.389 1.187) 6.118 11.418 ( -7.780 15.694 6.875) 18.817 11.418 ( 7.780 15.694 6.875) 18.817 11.760 ( -1.435 2.891 18.997) 19.269 11.760 ( 1.435 2.891 18.997) 19.269 12.526 ( -5.507 -7.992 6.441) 11.648 12.526 ( 5.507 -7.992 6.441) 11.648 13.281 ( -12.326 -5.029 -0.162) 13.313 13.281 ( 12.326 -5.029 -0.162) 13.313 15.373 ( -19.719 2.966 -19.937) 28.198 15.373 ( 19.719 2.966 -19.937) 28.198 15.618 ( -9.459 -0.522 -20.422) 22.512 15.618 ( 9.459 -0.522 -20.422) 22.512 18.527 ( -3.350 0.738 -5.680) 6.635 18.527 ( 3.350 0.738 -5.680) 6.635 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 7.577 15.826) 17.547 1.933 ( 0.000 -1.062 12.138) 12.184 2.189 ( 0.000 -2.513 21.027) 21.177 2.427 ( 0.000 -17.405 20.997) 27.273 3.427 ( 0.000 14.916 -5.359) 15.849 3.628 ( 0.000 1.553 0.856) 1.773 3.655 ( 0.000 12.043 16.638) 20.540 3.860 ( 0.000 -8.841 19.224) 21.159 4.035 ( 0.000 -1.128 17.561) 17.597 4.205 ( 0.000 -12.721 17.836) 21.908 4.365 ( 0.000 17.170 21.150) 27.242 4.702 ( 0.000 2.266 17.375) 17.522 4.732 ( 0.000 -13.470 28.848) 31.838 4.788 ( 0.000 -10.937 9.923) 14.768 5.285 ( 0.000 8.176 12.389) 14.844 5.367 ( 0.000 -0.213 13.673) 13.675 6.425 ( 0.000 5.489 -10.567) 11.908 6.488 ( 0.000 -0.670 -10.592) 10.613 7.752 ( 0.000 2.350 5.942) 6.390 7.834 ( 0.000 -5.852 3.185) 6.662 8.678 ( 0.000 5.772 -25.835) 26.472 8.767 ( 0.000 -3.423 -23.840) 24.085 9.203 ( 0.000 6.099 -13.622) 14.925 9.343 ( 0.000 -7.543 -14.535) 16.376 10.278 ( 0.000 10.707 21.093) 23.655 10.507 ( 0.000 -12.193 4.780) 13.097 10.674 ( 0.000 15.315 16.328) 22.387 11.039 ( 0.000 -20.536 21.142) 29.474 11.503 ( 0.000 0.914 19.863) 19.884 11.541 ( 0.000 -3.059 20.969) 21.191 12.001 ( 0.000 2.302 8.054) 8.376 12.021 ( 0.000 0.527 7.697) 7.715 12.740 ( 0.000 7.531 -15.755) 17.462 12.878 ( 0.000 -5.905 -16.478) 17.504 13.115 ( 0.000 12.665 9.762) 15.991 13.421 ( 0.000 -17.875 8.697) 19.878 14.731 ( 0.000 11.069 -7.935) 13.620 14.973 ( 0.000 -13.019 -10.606) 16.792 16.260 ( 0.000 4.315 -24.624) 24.999 16.271 ( 0.000 3.894 -25.488) 25.784 18.504 ( 0.000 7.263 -6.274) 9.597 18.646 ( 0.000 -6.696 -6.479) 9.317 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 6.457 7.442 16.796) 19.472 2.029 ( 8.031 -9.309 10.636) 16.257 2.292 ( 10.523 6.725 21.201) 24.605 2.570 ( 11.785 -17.011 16.403) 26.407 3.300 ( -10.885 14.482 -1.528) 18.181 3.470 ( -7.575 4.575 6.372) 10.905 3.663 ( -6.752 -4.561 7.062) 10.783 3.775 ( -5.270 -8.798 19.201) 21.769 4.089 ( 6.818 9.098 19.084) 22.214 4.292 ( 2.259 -8.314 20.092) 21.861 4.406 ( 2.858 17.259 19.876) 26.478 4.673 ( -0.177 2.407 19.434) 19.583 4.766 ( -2.540 -13.419 13.181) 18.981 4.805 ( 5.472 -10.863 27.130) 29.732 5.288 ( 1.495 6.399 7.442) 9.929 5.359 ( -0.444 -0.464 11.470) 11.488 6.382 ( -3.880 6.577 -9.428) 12.133 6.466 ( -2.507 -1.935 -8.997) 9.538 7.717 ( -2.830 2.755 5.677) 6.915 7.803 ( -2.708 -5.819 3.346) 7.238 8.794 ( 10.047 5.143 -25.616) 27.993 8.875 ( 9.086 -3.056 -23.084) 24.996 9.236 ( 3.180 5.735 -13.354) 14.877 9.376 ( 3.326 -7.627 -15.391) 17.496 10.281 ( -0.685 13.369 25.472) 28.776 10.532 ( 2.144 -10.732 5.937) 12.450 10.623 ( -3.230 9.858 10.908) 15.053 10.920 ( -10.444 -18.959 21.390) 30.432 11.494 ( 0.204 3.387 19.228) 19.525 11.580 ( 2.712 -5.105 21.836) 22.588 11.973 ( -1.718 5.203 9.786) 11.216 12.038 ( 0.598 -0.815 8.284) 8.346 12.656 ( -7.247 7.970 -12.357) 16.393 12.809 ( -5.947 -6.765 -10.233) 13.633 13.142 ( 1.575 13.692 6.443) 15.214 13.482 ( 3.564 -19.940 4.124) 20.671 14.708 ( -0.722 12.377 -8.452) 15.005 14.966 ( 0.485 -13.520 -10.927) 17.391 16.210 ( -4.462 5.766 -25.207) 26.241 16.244 ( -3.372 2.062 -24.951) 25.262 18.501 ( -0.162 6.734 -6.182) 9.143 18.633 ( -1.182 -6.179 -6.358) 8.944 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 12.028 8.595 15.288) 21.266 2.251 ( 13.334 -14.239 12.235) 23.027 2.574 ( 13.957 11.517 14.132) 22.960 2.832 ( 11.493 -13.363 10.434) 20.483 3.076 ( -8.620 13.050 3.959) 16.133 3.311 ( -6.596 -7.588 6.235) 11.830 3.500 ( -7.662 1.291 12.883) 15.045 3.638 ( -8.267 -9.622 15.324) 19.893 4.192 ( -1.070 4.395 15.970) 16.599 4.230 ( -6.233 0.977 15.320) 16.568 4.456 ( 2.416 11.672 20.912) 24.070 4.679 ( -4.812 -9.277 24.011) 26.186 4.716 ( 4.283 10.607 22.427) 25.176 4.945 ( 6.774 -11.437 24.277) 27.679 5.370 ( 4.346 1.847 6.281) 7.858 5.402 ( 7.852 -1.593 -0.090) 8.012 6.268 ( -7.249 7.183 -5.957) 11.817 6.371 ( -6.803 -3.331 -5.503) 9.363 7.659 ( -2.361 2.773 5.304) 6.434 7.737 ( -3.321 -4.931 3.547) 6.923 9.024 ( 10.254 2.932 -22.800) 25.171 9.074 ( 8.574 -1.842 -20.525) 22.320 9.334 ( 6.248 6.077 -13.783) 16.307 9.487 ( 7.168 -7.880 -19.592) 22.300 10.196 ( -7.305 15.816 33.707) 37.943 10.548 ( -6.466 -17.954 21.338) 28.626 10.617 ( 3.525 3.751 3.773) 6.382 10.718 ( -2.139 -7.277 8.343) 11.276 11.523 ( 2.410 6.107 18.465) 19.597 11.639 ( 2.808 -5.334 23.446) 24.209 11.934 ( -1.993 7.805 12.076) 14.517 12.037 ( -0.678 -0.353 8.642) 8.676 12.465 ( -10.602 7.429 -8.377) 15.420 12.654 ( -8.598 -9.220 -3.525) 13.091 13.151 ( -0.619 12.487 4.231) 13.199 13.478 ( -4.620 -19.991 1.112) 20.548 14.784 ( 9.215 12.823 -11.475) 19.520 15.041 ( 7.277 -13.077 -13.073) 19.871 16.070 ( -9.139 5.757 -25.197) 27.414 16.115 ( -9.108 0.706 -24.064) 25.740 18.502 ( 0.358 5.223 -6.036) 7.990 18.603 ( -1.596 -4.601 -6.099) 7.805 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 13.099 11.748 11.375) 20.952 2.561 ( 15.074 -15.440 10.734) 24.100 2.699 ( -3.188 14.196 3.372) 14.935 2.981 ( 2.160 -12.503 2.057) 12.853 3.067 ( 8.363 7.590 15.268) 18.991 3.227 ( -3.752 -7.982 9.802) 13.186 3.375 ( -2.347 -0.870 23.165) 23.300 3.444 ( -9.558 -7.102 16.917) 20.688 4.024 ( -8.632 4.525 7.532) 12.317 4.098 ( -8.738 -2.455 8.654) 12.541 4.504 ( 2.029 6.933 26.609) 27.572 4.598 ( -3.050 -1.786 29.912) 30.120 4.852 ( 7.851 9.933 18.743) 22.619 5.029 ( 0.892 -6.674 17.189) 18.461 5.529 ( 11.055 4.297 5.110) 12.915 5.629 ( 12.759 -5.436 -1.322) 13.931 6.075 ( -11.165 6.472 -1.242) 12.965 6.184 ( -10.987 -4.392 -1.806) 11.969 7.628 ( -0.562 1.570 4.797) 5.079 7.675 ( -2.548 -3.014 3.829) 5.499 9.179 ( 4.807 0.818 -18.234) 18.875 9.204 ( 3.851 -1.336 -19.145) 19.575 9.488 ( 7.890 7.527 -15.714) 19.127 9.632 ( 4.963 -4.304 -26.771) 27.565 10.052 ( -4.404 7.083 41.121) 41.958 10.298 ( -12.644 -15.532 31.725) 37.518 10.746 ( 7.006 2.330 2.461) 7.783 10.798 ( 5.171 -3.004 1.341) 6.129 11.581 ( 2.882 8.092 18.635) 20.520 11.679 ( 0.433 -2.265 25.540) 25.644 11.898 ( -1.020 9.383 11.954) 15.231 12.001 ( -3.551 8.465 7.172) 11.650 12.274 ( -5.184 -2.835 -5.263) 7.913 12.465 ( -9.204 -13.024 0.413) 15.953 13.143 ( 0.613 6.227 2.605) 6.778 13.331 ( -7.926 -12.429 0.735) 14.759 15.074 ( 17.343 8.838 -15.214) 24.705 15.258 ( 12.756 -9.418 -15.640) 22.272 15.829 ( -14.050 4.539 -24.413) 28.530 15.874 ( -13.437 -0.141 -22.886) 26.539 18.516 ( 0.979 3.016 -5.909) 6.706 18.570 ( -1.507 -2.227 -5.891) 6.475 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -9.858 13.586 6.137) 17.872 2.527 ( 9.858 13.586 6.137) 17.872 2.884 ( -12.020 -16.064 4.780) 20.624 2.884 ( 12.020 -16.064 4.780) 20.624 3.179 ( -1.760 -1.000 9.798) 10.005 3.179 ( 1.760 -1.000 9.798) 10.005 3.348 ( -2.145 -0.821 28.672) 28.763 3.348 ( 2.145 -0.821 28.672) 28.763 3.951 ( -2.953 0.071 3.660) 4.703 3.951 ( 2.953 0.071 3.660) 4.703 4.545 ( -2.161 2.885 29.586) 29.805 4.545 ( 2.161 2.885 29.586) 29.805 4.989 ( -4.548 1.635 14.504) 15.288 4.989 ( 4.548 1.635 14.504) 15.288 5.784 ( -10.603 5.412 1.930) 12.060 5.784 ( 10.603 5.412 1.930) 12.060 5.936 ( -10.511 -5.121 0.838) 11.722 5.936 ( 10.511 -5.121 0.838) 11.722 7.635 ( -1.196 -0.597 4.259) 4.464 7.635 ( 1.196 -0.597 4.259) 4.464 9.236 ( -0.678 -0.405 -18.351) 18.368 9.236 ( 0.678 -0.405 -18.351) 18.368 9.629 ( -4.797 5.851 -21.427) 22.724 9.629 ( 4.797 5.851 -21.427) 22.724 10.083 ( -7.170 -8.612 38.145) 39.757 10.083 ( 7.170 -8.612 38.145) 39.757 10.847 ( -1.461 -0.154 1.484) 2.088 10.847 ( 1.461 -0.154 1.484) 2.088 11.644 ( -3.211 4.665 22.889) 23.579 11.644 ( 3.211 4.665 22.889) 23.579 11.914 ( -2.946 13.210 7.468) 15.459 11.914 ( 2.946 13.210 7.468) 15.459 12.298 ( -5.995 -13.802 0.040) 15.048 12.298 ( 5.995 -13.802 0.040) 15.048 13.195 ( -4.613 -2.672 1.213) 5.468 13.195 ( 4.613 -2.672 1.213) 5.468 15.429 ( -11.187 1.975 -14.355) 18.307 15.429 ( 11.187 1.975 -14.355) 18.307 15.606 ( -7.472 -0.550 -25.434) 26.514 15.606 ( 7.472 -0.550 -25.434) 26.514 18.541 ( -1.318 0.439 -5.833) 5.996 18.541 ( 1.318 0.439 -5.833) 5.996 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 0.000 17.400) 17.400 2.174 ( 0.000 0.000 19.876) 19.876 2.735 ( 0.000 0.000 -4.980) 4.980 3.193 ( 0.000 0.000 7.327) 7.327 3.265 ( 0.000 0.000 10.543) 10.543 3.328 ( 0.000 0.000 7.950) 7.950 3.467 ( 0.000 0.000 3.661) 3.661 4.134 ( 0.000 0.000 8.522) 8.522 4.490 ( 0.000 0.000 -2.215) 2.215 4.575 ( 0.000 0.000 31.401) 31.401 4.849 ( 0.000 0.000 18.023) 18.023 4.886 ( 0.000 0.000 -12.460) 12.460 4.987 ( 0.000 0.000 12.916) 12.916 5.424 ( 0.000 0.000 31.571) 31.571 5.535 ( 0.000 0.000 13.352) 13.352 5.908 ( 0.000 0.000 33.888) 33.888 6.098 ( 0.000 0.000 -1.257) 1.257 6.242 ( 0.000 0.000 -11.082) 11.082 7.912 ( 0.000 0.000 8.979) 8.979 7.967 ( 0.000 0.000 -19.615) 19.615 8.115 ( 0.000 0.000 5.061) 5.061 8.424 ( 0.000 0.000 -16.511) 16.511 8.711 ( 0.000 0.000 -18.799) 18.799 9.181 ( 0.000 0.000 -16.005) 16.005 10.502 ( 0.000 0.000 8.831) 8.831 10.661 ( 0.000 0.000 19.112) 19.112 10.734 ( 0.000 0.000 -5.568) 5.568 11.533 ( 0.000 0.000 -0.700) 0.700 11.923 ( 0.000 0.000 12.677) 12.677 11.953 ( 0.000 0.000 6.583) 6.583 11.981 ( 0.000 0.000 -1.446) 1.446 12.304 ( 0.000 0.000 -11.567) 11.567 12.393 ( 0.000 0.000 28.179) 28.179 12.646 ( 0.000 0.000 -10.721) 10.721 13.137 ( 0.000 0.000 12.795) 12.795 13.933 ( 0.000 0.000 -3.064) 3.064 14.381 ( 0.000 0.000 -5.272) 5.272 15.037 ( 0.000 0.000 -14.833) 14.833 15.639 ( 0.000 0.000 -20.900) 20.900 15.647 ( 0.000 0.000 -17.493) 17.493 18.222 ( 0.000 0.000 -5.746) 5.746 18.677 ( 0.000 0.000 -5.178) 5.178 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.647 0.000 16.117) 16.201 2.304 ( 11.850 0.000 17.486) 21.123 2.678 ( -4.506 0.000 -3.264) 5.564 3.160 ( -3.621 0.000 10.848) 11.436 3.196 ( 0.513 0.000 8.414) 8.429 3.520 ( 11.683 0.000 7.120) 13.681 3.571 ( 8.087 0.000 1.607) 8.245 4.099 ( -3.454 0.000 2.866) 4.488 4.413 ( -7.145 0.000 -1.234) 7.251 4.434 ( -5.924 0.000 27.463) 28.094 4.755 ( -9.299 0.000 16.073) 18.570 4.957 ( -2.319 0.000 14.569) 14.752 5.122 ( 15.549 0.000 -2.436) 15.739 5.392 ( -2.372 0.000 30.053) 30.146 5.560 ( 1.336 0.000 14.243) 14.305 5.903 ( -0.555 0.000 32.445) 32.450 5.966 ( -7.653 0.000 -6.160) 9.824 6.330 ( 4.118 0.000 -5.042) 6.510 7.831 ( -3.912 0.000 5.484) 6.736 8.043 ( -5.159 0.000 3.716) 6.358 8.151 ( 13.255 0.000 -16.559) 21.211 8.549 ( 9.575 0.000 -15.265) 18.019 8.767 ( 4.937 0.000 -18.646) 19.289 9.192 ( 1.058 0.000 -16.170) 16.204 10.542 ( 3.726 0.000 8.825) 9.579 10.598 ( -4.666 0.000 19.539) 20.088 10.748 ( 1.481 0.000 -5.250) 5.455 11.436 ( -7.346 0.000 -2.698) 7.825 11.879 ( -5.248 0.000 2.614) 5.863 11.880 ( -9.179 0.000 2.266) 9.455 12.035 ( 5.703 0.000 19.297) 20.122 12.319 ( 2.244 0.000 -8.287) 8.585 12.383 ( -1.085 0.000 28.062) 28.083 12.721 ( 6.805 0.000 -10.769) 12.739 13.123 ( -1.508 0.000 12.833) 12.921 13.987 ( 5.462 0.000 -5.426) 7.699 14.286 ( -9.166 0.000 -5.256) 10.566 15.062 ( 2.278 0.000 -15.208) 15.378 15.483 ( -9.471 0.000 -19.244) 21.449 15.696 ( -0.420 0.000 -20.052) 20.056 18.233 ( 1.117 0.000 -5.577) 5.688 18.654 ( -2.112 0.000 -4.995) 5.423 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 2.761 0.000 13.069) 13.358 2.568 ( -2.917 0.000 5.104) 5.879 2.639 ( 16.575 0.000 6.504) 17.806 3.141 ( 1.606 0.000 9.851) 9.981 3.233 ( 3.730 0.000 10.569) 11.208 3.659 ( -2.583 0.000 -0.335) 2.604 3.768 ( 11.636 0.000 7.109) 13.636 4.103 ( 7.254 0.000 3.325) 7.980 4.209 ( -11.915 0.000 1.040) 11.961 4.387 ( -0.301 0.000 21.855) 21.858 4.475 ( -17.297 0.000 13.218) 21.769 4.885 ( -4.809 0.000 14.871) 15.630 5.296 ( -0.968 0.000 26.186) 26.204 5.495 ( 14.810 0.000 3.439) 15.204 5.557 ( -1.510 0.000 15.667) 15.740 5.853 ( -3.302 0.000 -5.124) 6.096 5.883 ( -1.371 0.000 28.281) 28.315 6.363 ( -1.171 0.000 -0.204) 1.189 7.766 ( -2.165 0.000 7.309) 7.623 7.937 ( -4.877 0.000 4.307) 6.507 8.465 ( 15.690 0.000 -18.941) 24.596 8.747 ( 8.350 0.000 -15.561) 17.660 8.892 ( 6.534 0.000 -18.443) 19.566 9.217 ( 0.908 0.000 -16.722) 16.747 10.540 ( 0.520 0.000 21.003) 21.009 10.646 ( 5.974 0.000 8.649) 10.512 10.800 ( 3.601 0.000 -4.594) 5.837 11.273 ( -8.042 0.000 -4.329) 9.134 11.634 ( -13.565 0.000 9.798) 16.734 11.710 ( -10.415 0.000 -0.954) 10.458 12.129 ( 3.301 0.000 24.055) 24.280 12.348 ( -2.242 0.000 27.780) 27.870 12.400 ( 5.277 0.000 -3.734) 6.464 12.902 ( 9.719 0.000 -5.081) 10.967 13.067 ( -4.045 0.000 12.628) 13.260 14.010 ( -16.701 0.000 -4.746) 17.362 14.175 ( 12.808 0.000 -12.096) 17.617 15.121 ( 3.132 0.000 -16.047) 16.349 15.283 ( -8.977 0.000 -21.266) 23.083 15.623 ( -6.550 0.000 -20.172) 21.209 18.270 ( 2.534 0.000 -5.193) 5.779 18.594 ( -3.581 0.000 -4.621) 5.846 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.772 0.000 9.565) 10.282 2.463 ( -5.427 0.000 3.220) 6.310 3.055 ( 20.990 0.000 5.906) 21.805 3.214 ( 5.020 0.000 6.158) 7.945 3.370 ( 9.500 0.000 10.272) 13.992 3.536 ( -6.575 0.000 5.134) 8.342 3.886 ( -10.274 0.000 9.376) 13.909 4.045 ( 6.176 0.000 5.418) 8.216 4.059 ( -21.789 0.000 9.921) 23.941 4.309 ( 5.094 0.000 10.379) 11.561 4.385 ( 3.958 0.000 8.688) 9.547 4.759 ( -7.229 0.000 12.383) 14.339 5.301 ( 2.577 0.000 24.817) 24.951 5.507 ( -3.614 0.000 16.534) 16.924 5.795 ( 10.195 0.000 5.777) 11.718 5.805 ( -1.368 0.000 2.120) 2.523 5.860 ( 2.309 0.000 19.456) 19.592 6.279 ( -6.807 0.000 3.482) 7.646 7.747 ( 0.348 0.000 7.529) 7.537 7.845 ( -3.895 0.000 5.653) 6.865 8.748 ( 10.490 0.000 -18.959) 21.668 8.871 ( 3.393 0.000 -16.145) 16.498 9.026 ( 6.293 0.000 -17.976) 19.046 9.212 ( -1.615 0.000 -17.005) 17.081 10.639 ( 8.411 0.000 21.690) 23.264 10.776 ( 6.097 0.000 7.956) 10.023 10.893 ( 4.637 0.000 -2.877) 5.457 11.107 ( -7.740 0.000 -3.717) 8.586 11.359 ( -11.415 0.000 14.485) 18.443 11.475 ( -11.477 0.000 -1.061) 11.526 12.185 ( 2.462 0.000 25.285) 25.405 12.294 ( -2.737 0.000 26.879) 27.018 12.542 ( 8.574 0.000 -0.107) 8.575 12.946 ( -7.761 0.000 10.857) 13.346 13.101 ( 9.499 0.000 0.410) 9.508 13.638 ( -17.749 0.000 -3.748) 18.140 14.506 ( 18.092 0.000 -19.003) 26.238 15.113 ( -8.288 0.000 -23.576) 24.990 15.186 ( 3.078 0.000 -16.825) 17.104 15.438 ( -10.216 0.000 -18.658) 21.272 18.336 ( 3.724 0.000 -4.771) 6.053 18.511 ( -4.267 0.000 -4.383) 6.117 ======================= Grid point 184 (65/120) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -4.878 0.000 6.188) 7.879 2.354 ( 4.878 0.000 6.188) 7.879 3.321 ( -3.018 0.000 -1.028) 3.188 3.321 ( 3.018 0.000 -1.028) 3.188 3.575 ( -17.392 0.000 11.774) 21.002 3.575 ( 17.392 0.000 11.774) 21.002 3.633 ( -15.564 0.000 11.790) 19.526 3.633 ( 15.564 0.000 11.790) 19.526 4.222 ( -7.810 0.000 9.803) 12.534 4.222 ( 7.810 0.000 9.803) 12.534 4.584 ( -9.658 0.000 8.251) 12.703 4.584 ( 9.658 0.000 8.251) 12.703 5.400 ( -6.030 0.000 18.994) 19.928 5.400 ( 6.030 0.000 18.994) 19.928 5.804 ( -1.086 0.000 12.163) 12.212 5.804 ( 1.086 0.000 12.163) 12.212 6.088 ( -11.336 0.000 5.233) 12.486 6.088 ( 11.336 0.000 5.233) 12.486 7.778 ( -2.474 0.000 6.867) 7.299 7.778 ( 2.474 0.000 6.867) 7.299 8.882 ( -2.573 0.000 -17.452) 17.640 8.882 ( 2.573 0.000 -17.452) 17.640 9.145 ( -4.767 0.000 -17.339) 17.983 9.145 ( 4.767 0.000 -17.339) 17.983 10.822 ( -5.806 0.000 16.700) 17.681 10.822 ( 5.806 0.000 16.700) 17.681 10.964 ( -5.018 0.000 -1.074) 5.132 10.964 ( 5.018 0.000 -1.074) 5.132 11.278 ( -5.245 0.000 4.192) 6.715 11.278 ( 5.245 0.000 4.192) 6.715 12.238 ( -2.643 0.000 25.794) 25.929 12.238 ( 2.643 0.000 25.794) 25.929 12.749 ( -10.625 0.000 5.571) 11.997 12.749 ( 10.625 0.000 5.571) 11.997 13.320 ( -12.437 0.000 -0.702) 12.457 13.320 ( 12.437 0.000 -0.702) 12.457 14.873 ( -15.637 0.000 -23.252) 28.021 14.873 ( 15.637 0.000 -23.252) 28.021 15.266 ( -5.473 0.000 -17.136) 17.988 15.266 ( 5.473 0.000 -17.136) 17.988 18.421 ( -4.305 0.000 -4.452) 6.193 18.421 ( 4.305 0.000 -4.452) 6.193 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -2.901 17.553) 17.791 2.200 ( 0.000 1.272 15.507) 15.559 2.659 ( 0.000 -6.591 7.824) 10.230 3.106 ( 0.000 -12.806 14.314) 19.207 3.126 ( 0.000 3.669 1.096) 3.829 3.540 ( 0.000 4.904 -0.078) 4.905 3.587 ( 0.000 15.971 6.810) 17.362 4.155 ( 0.000 -2.623 2.620) 3.707 4.392 ( 0.000 -6.321 -0.794) 6.370 4.635 ( 0.000 7.763 37.331) 38.130 4.664 ( 0.000 -12.505 1.489) 12.593 4.957 ( 0.000 2.051 6.347) 6.670 4.994 ( 0.000 0.817 13.111) 13.137 5.514 ( 0.000 -4.661 17.844) 18.443 5.523 ( 0.000 8.316 27.726) 28.947 5.826 ( 0.000 -4.660 26.115) 26.528 6.159 ( 0.000 4.180 0.099) 4.181 6.258 ( 0.000 1.254 -11.095) 11.166 7.897 ( 0.000 -1.335 8.253) 8.361 7.931 ( 0.000 -2.705 -8.721) 9.131 8.172 ( 0.000 4.769 -5.043) 6.941 8.410 ( 0.000 -1.501 -16.074) 16.144 8.756 ( 0.000 4.371 -18.169) 18.687 9.135 ( 0.000 -4.461 -16.215) 16.818 10.487 ( 0.000 -0.357 9.943) 9.950 10.679 ( 0.000 -4.841 -2.412) 5.409 10.779 ( 0.000 10.661 16.964) 20.036 11.533 ( 0.000 -2.207 2.569) 3.387 11.890 ( 0.000 -1.345 11.898) 11.973 11.905 ( 0.000 -3.377 4.591) 5.699 12.038 ( 0.000 3.293 -1.814) 3.760 12.185 ( 0.000 -7.243 2.328) 7.608 12.490 ( 0.000 5.806 13.358) 14.566 12.642 ( 0.000 -0.262 -8.121) 8.125 13.168 ( 0.000 3.419 11.410) 11.911 13.803 ( 0.000 -11.928 -0.955) 11.966 14.433 ( 0.000 5.068 -6.011) 7.863 14.945 ( 0.000 -8.248 -13.432) 15.763 15.696 ( 0.000 4.654 -21.942) 22.430 15.709 ( 0.000 4.972 -20.085) 20.691 18.268 ( 0.000 4.538 -5.567) 7.183 18.637 ( 0.000 -3.942 -5.227) 6.547 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.12 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 3.012 -1.579 16.217) 16.570 2.321 ( 10.954 0.185 13.497) 17.384 2.662 ( 0.015 -1.925 6.482) 6.762 3.091 ( -2.292 1.357 5.668) 6.263 3.144 ( 2.470 -9.909 10.658) 14.760 3.466 ( 0.499 2.137 3.983) 4.547 3.733 ( 4.431 6.502 2.253) 8.184 4.142 ( 0.894 2.345 3.664) 4.441 4.279 ( -8.030 -8.736 1.810) 12.003 4.527 ( -1.464 8.059 21.410) 22.924 4.754 ( -6.863 -0.277 17.593) 18.887 4.968 ( -1.999 0.818 12.697) 12.879 5.060 ( 13.417 -5.825 3.055) 14.943 5.455 ( -5.861 6.192 26.160) 27.514 5.529 ( 0.837 -4.333 17.568) 18.114 5.821 ( -0.449 -4.053 25.431) 25.756 6.079 ( -4.233 7.293 -2.161) 8.705 6.327 ( 3.184 -0.521 -5.469) 6.350 7.831 ( -3.511 0.032 5.993) 6.945 7.966 ( -1.159 -5.004 1.896) 5.475 8.239 ( 8.871 6.154 -14.568) 18.132 8.523 ( 8.978 -2.462 -16.227) 18.708 8.809 ( 4.684 3.999 -17.483) 18.536 9.153 ( 1.628 -3.935 -16.268) 16.816 10.521 ( 2.851 -0.154 10.834) 11.204 10.699 ( 2.016 -4.258 -1.961) 5.103 10.712 ( -4.902 9.438 16.160) 19.345 11.427 ( -8.554 -3.401 0.792) 9.240 11.786 ( -7.611 -3.169 5.421) 9.867 11.943 ( 0.288 4.068 5.497) 6.845 12.095 ( 3.893 1.365 7.492) 8.553 12.205 ( 2.180 -5.278 7.508) 9.433 12.466 ( -2.043 4.578 14.094) 14.959 12.689 ( 4.247 -2.903 -8.733) 10.136 13.155 ( -1.303 3.604 11.237) 11.872 13.835 ( 2.339 -13.314 -2.793) 13.803 14.366 ( -5.438 7.002 -6.460) 10.970 14.948 ( 0.461 -9.473 -13.718) 16.678 15.589 ( -6.983 7.975 -21.467) 23.941 15.726 ( -1.456 2.465 -21.285) 21.476 18.276 ( 0.830 4.236 -5.409) 6.921 18.618 ( -1.769 -3.597 -5.062) 6.457 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.25 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 4.885 1.943 13.261) 14.265 2.618 ( 16.574 -2.908 9.403) 19.277 2.634 ( -3.129 5.387 1.874) 6.505 3.092 ( 2.935 -1.809 10.547) 11.096 3.186 ( 2.673 -5.462 8.379) 10.353 3.556 ( 4.314 -7.763 2.827) 9.320 3.713 ( -1.286 -2.609 6.599) 7.211 4.068 ( -9.678 -9.883 6.588) 15.321 4.315 ( 10.853 14.754 3.175) 18.589 4.489 ( -9.000 5.713 15.757) 19.024 4.497 ( -10.469 3.593 13.761) 17.660 4.911 ( -3.145 2.691 11.802) 12.507 5.295 ( -1.772 -6.585 22.057) 23.088 5.405 ( 10.661 -0.976 7.314) 12.966 5.535 ( 0.556 -1.391 16.771) 16.838 5.813 ( 0.036 -3.248 23.671) 23.893 6.014 ( -2.493 9.269 0.592) 9.616 6.347 ( -1.577 -1.685 -0.712) 2.415 7.768 ( -2.256 0.325 7.420) 7.762 7.901 ( -3.917 -3.171 4.774) 6.942 8.499 ( 13.859 3.059 -19.167) 23.849 8.716 ( 8.371 -2.788 -17.817) 19.882 8.928 ( 6.348 3.383 -16.298) 17.814 9.196 ( 2.183 -2.276 -16.719) 17.014 10.554 ( -0.247 2.095 17.195) 17.324 10.685 ( 3.883 3.371 9.838) 11.101 10.766 ( 4.455 -2.601 -0.099) 5.160 11.218 ( -11.095 -7.512 1.896) 13.533 11.618 ( -7.865 4.426 4.099) 9.912 11.871 ( -6.950 11.423 0.688) 13.388 12.172 ( 3.283 1.677 16.672) 17.075 12.260 ( 2.753 -5.384 17.885) 18.880 12.419 ( -1.907 0.775 11.883) 12.060 12.794 ( 4.643 -9.337 -3.802) 11.099 13.118 ( -1.746 4.449 9.507) 10.641 13.804 ( -8.237 -15.206 -3.755) 17.696 14.327 ( 5.368 10.423 -11.134) 16.169 14.976 ( 2.498 -9.991 -15.679) 18.759 15.429 ( -8.040 9.323 -22.089) 25.288 15.637 ( -7.119 1.034 -21.143) 22.333 18.305 ( 2.018 3.388 -5.082) 6.433 18.568 ( -2.942 -2.594 -4.728) 6.143 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.38 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 5.140 5.495 9.251) 11.924 2.539 ( -5.394 7.396 2.522) 9.495 2.970 ( 15.899 -9.090 4.353) 18.824 3.172 ( 4.219 -5.069 2.407) 7.021 3.327 ( 10.801 -2.133 13.052) 17.075 3.499 ( -4.979 -3.183 7.859) 9.833 3.827 ( -6.912 -4.993 11.235) 14.104 3.877 ( 6.849 -10.115 7.011) 14.084 4.106 ( -19.553 4.498 11.683) 23.217 4.356 ( -9.563 -0.500 12.285) 15.577 4.561 ( 10.722 15.229 3.994) 19.049 4.847 ( -3.406 8.368 9.182) 12.882 5.262 ( 1.324 -4.134 23.067) 23.472 5.453 ( -3.877 -5.522 15.006) 16.453 5.716 ( 10.733 -1.023 9.155) 14.144 5.852 ( 4.856 -0.977 18.049) 18.716 5.955 ( -2.939 8.041 4.353) 9.604 6.257 ( -6.978 -2.154 3.352) 8.035 7.744 ( -0.012 -0.160 7.481) 7.483 7.823 ( -3.376 -1.991 5.921) 7.100 8.748 ( 9.048 0.038 -19.613) 21.599 8.842 ( 3.571 -2.465 -18.520) 19.021 9.061 ( 6.275 3.212 -15.847) 17.344 9.222 ( -0.247 0.474 -16.966) 16.974 10.592 ( 4.738 -2.690 17.421) 18.253 10.799 ( 5.213 1.152 8.848) 10.334 10.871 ( 4.628 -1.347 3.139) 5.752 10.989 ( -9.725 -9.339 5.003) 14.381 11.484 ( -4.228 12.949 3.270) 14.009 11.681 ( -10.445 16.301 -0.094) 19.360 12.220 ( 1.745 3.205 25.188) 25.451 12.298 ( -0.564 -0.604 27.386) 27.398 12.445 ( 6.026 -8.839 0.713) 10.722 12.804 ( -4.845 -12.848 4.875) 14.571 13.132 ( 4.115 2.364 3.906) 6.147 13.537 ( -14.431 -9.031 -2.114) 17.155 14.578 ( 16.407 6.805 -18.223) 25.447 15.048 ( 3.435 -5.441 -20.614) 21.595 15.258 ( -8.215 5.555 -19.773) 22.120 15.443 ( -10.714 0.137 -19.613) 22.349 18.358 ( 3.040 2.122 -4.763) 6.036 18.501 ( -3.466 -1.101 -4.511) 5.794 ======================= Grid point 193 (70/120) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -5.300 7.103 5.385) 10.370 2.426 ( 5.300 7.103 5.385) 10.370 3.199 ( -4.844 -11.301 -1.553) 12.393 3.199 ( 4.844 -11.301 -1.553) 12.393 3.490 ( -3.084 -4.410 13.629) 14.652 3.490 ( 3.084 -4.410 13.629) 14.652 3.736 ( -11.171 5.832 12.809) 17.968 3.736 ( 11.171 5.832 12.809) 17.968 4.124 ( -12.105 -6.622 9.142) 16.552 4.124 ( 12.105 -6.622 9.142) 16.552 4.744 ( -6.788 12.522 7.277) 15.994 4.744 ( 6.788 12.522 7.277) 15.994 5.346 ( -5.667 -5.101 17.809) 19.373 5.346 ( 5.667 -5.101 17.809) 19.373 5.853 ( -4.469 4.212 12.288) 13.737 5.853 ( 4.469 4.212 12.288) 13.737 6.067 ( -10.674 -1.959 6.000) 12.401 6.067 ( 10.674 -1.959 6.000) 12.401 7.766 ( -2.024 -1.022 6.880) 7.244 7.766 ( 2.024 -1.022 6.880) 7.244 8.860 ( -2.001 -1.835 -18.896) 19.090 8.860 ( 2.001 -1.835 -18.896) 19.090 9.175 ( -4.190 2.582 -16.403) 17.125 9.175 ( 4.190 2.582 -16.403) 17.125 10.738 ( -8.501 -7.403 13.968) 17.949 10.738 ( 8.501 -7.403 13.968) 17.949 10.926 ( -1.700 -0.697 4.704) 5.050 10.926 ( 1.700 -0.697 4.704) 5.050 11.493 ( -5.806 17.385 1.533) 18.393 11.493 ( 5.806 17.385 1.533) 18.393 12.261 ( -2.168 2.029 26.677) 26.841 12.261 ( 2.168 2.029 26.677) 26.841 12.630 ( -10.224 -11.818 3.729) 16.066 12.630 ( 10.224 -11.818 3.728) 16.066 13.279 ( -9.787 -3.401 0.643) 10.381 13.279 ( 9.787 -3.401 0.643) 10.381 14.927 ( -15.125 4.898 -23.554) 28.417 14.927 ( 15.125 4.898 -23.554) 28.417 15.245 ( -7.158 -2.051 -16.873) 18.443 15.245 ( 7.158 -2.051 -16.873) 18.443 18.427 ( -3.507 0.567 -4.541) 5.765 18.427 ( 3.507 0.567 -4.541) 5.765 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 1.200 15.448) 15.494 2.150 ( 0.000 -5.845 10.433) 11.959 2.639 ( 0.000 6.247 21.159) 22.062 2.843 ( 0.000 -12.930 18.849) 22.858 3.315 ( 0.000 13.145 -4.696) 13.958 3.544 ( 0.000 -7.028 -6.027) 9.258 3.875 ( 0.000 12.793 6.744) 14.462 4.055 ( 0.000 -5.220 7.197) 8.891 4.288 ( 0.000 -1.775 0.836) 1.962 4.411 ( 0.000 -11.911 1.181) 11.970 4.879 ( 0.000 12.229 25.959) 28.695 4.970 ( 0.000 -0.619 10.724) 10.742 5.039 ( 0.000 6.166 19.358) 20.316 5.301 ( 0.000 -15.311 26.738) 30.811 5.683 ( 0.000 6.879 23.384) 24.375 5.773 ( 0.000 -2.448 21.272) 21.412 6.232 ( 0.000 3.038 -5.629) 6.396 6.269 ( 0.000 -0.549 -9.997) 10.012 7.875 ( 0.000 -0.492 5.821) 5.842 7.886 ( 0.000 -1.590 0.726) 1.748 8.274 ( 0.000 5.160 -12.271) 13.312 8.361 ( 0.000 -3.528 -14.935) 15.346 8.872 ( 0.000 7.076 -17.208) 18.606 9.017 ( 0.000 -7.192 -16.643) 18.131 10.506 ( 0.000 2.376 8.179) 8.518 10.578 ( 0.000 -4.763 3.523) 5.924 11.046 ( 0.000 15.845 14.749) 21.647 11.361 ( 0.000 -14.520 10.650) 18.006 11.883 ( 0.000 0.361 12.793) 12.798 11.884 ( 0.000 0.529 6.754) 6.775 12.072 ( 0.000 0.150 -5.907) 5.909 12.084 ( 0.000 -2.476 -1.746) 3.030 12.588 ( 0.000 3.851 7.560) 8.484 12.634 ( 0.000 -0.958 -0.341) 1.016 13.290 ( 0.000 9.363 7.300) 11.872 13.530 ( 0.000 -14.285 2.788) 14.554 14.570 ( 0.000 8.552 -8.023) 11.726 14.757 ( 0.000 -10.102 -10.715) 14.726 15.777 ( 0.000 2.835 -23.389) 23.560 15.787 ( 0.000 2.037 -23.147) 23.236 18.387 ( 0.000 7.180 -5.365) 8.963 18.529 ( 0.000 -6.769 -5.303) 8.599 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.12 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 5.832 2.792 14.670) 16.031 2.241 ( 8.280 -7.266 10.267) 15.058 2.702 ( 5.372 7.296 17.788) 19.962 2.905 ( 5.299 -12.322 15.180) 20.257 3.247 ( -5.472 11.971 -1.676) 13.269 3.460 ( -5.996 -6.548 -3.209) 9.441 3.814 ( -4.629 5.858 6.635) 9.989 3.998 ( -5.902 -11.524 6.716) 14.586 4.359 ( 10.020 11.644 2.821) 15.619 4.574 ( 8.041 -7.443 4.489) 11.841 4.807 ( -7.497 6.255 18.862) 21.240 4.906 ( -4.047 -4.752 7.172) 9.508 5.087 ( 4.531 8.888 23.131) 25.190 5.326 ( 1.496 -12.930 23.405) 26.781 5.627 ( -3.930 7.839 22.127) 23.801 5.748 ( -2.123 -4.416 22.827) 23.347 6.213 ( -1.025 5.866 -5.536) 8.131 6.298 ( 1.299 -2.734 -6.159) 6.863 7.840 ( -2.478 1.116 6.070) 6.651 7.882 ( -1.374 -3.274 4.306) 5.581 8.358 ( 8.066 5.691 -16.161) 18.938 8.457 ( 8.199 -4.242 -16.879) 19.238 8.914 ( 3.794 6.423 -16.384) 18.002 9.046 ( 2.719 -6.553 -16.280) 17.758 10.545 ( 3.535 2.442 8.341) 9.382 10.611 ( 3.150 -4.187 3.690) 6.409 10.950 ( -7.990 14.302 14.253) 21.715 11.242 ( -10.090 -14.031 9.575) 19.757 11.817 ( -2.365 5.272 6.479) 8.681 11.948 ( 2.756 -6.709 8.789) 11.395 12.089 ( 2.180 4.967 -0.346) 5.435 12.178 ( 5.895 -2.215 4.165) 7.551 12.550 ( -3.643 4.083 8.732) 10.305 12.624 ( -1.033 -3.460 -0.492) 3.644 13.284 ( -0.747 9.960 6.699) 12.026 13.540 ( 0.204 -15.213 1.650) 15.303 14.535 ( -2.289 9.873 -8.687) 13.348 14.742 ( -0.711 -10.878 -11.249) 15.664 15.720 ( -4.842 4.604 -23.573) 24.501 15.761 ( -3.267 0.342 -23.236) 23.467 18.387 ( 0.058 6.686 -5.217) 8.480 18.519 ( -0.926 -6.256 -5.156) 8.159 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.25 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 9.180 6.619 12.434) 16.813 2.467 ( 12.703 -10.125 9.132) 18.636 2.794 ( 0.953 9.806 5.866) 11.467 2.998 ( 1.737 -10.250 4.776) 11.441 3.187 ( 2.737 8.502 9.060) 12.722 3.386 ( 0.522 -10.078 4.046) 10.872 3.722 ( -3.365 4.170 9.026) 10.497 3.864 ( -6.813 -9.657 8.082) 14.318 4.532 ( -8.677 3.483 16.067) 18.589 4.548 ( -6.839 2.098 12.994) 14.833 4.664 ( 4.274 13.379 1.457) 14.121 4.911 ( 4.582 -7.907 -1.630) 9.283 5.184 ( 2.416 3.167 23.307) 23.645 5.336 ( -0.229 -8.010 17.052) 18.841 5.597 ( 2.544 6.583 20.266) 21.460 5.723 ( 0.995 -5.754 23.461) 24.177 6.182 ( -2.390 7.311 -1.556) 7.847 6.293 ( -2.182 -3.989 -1.420) 4.763 7.785 ( -2.434 1.591 7.192) 7.758 7.834 ( -2.832 -3.231 6.073) 7.439 8.571 ( 10.878 4.010 -19.713) 22.869 8.649 ( 8.984 -3.822 -19.605) 21.902 9.016 ( 5.714 5.325 -15.076) 16.979 9.123 ( 4.385 -5.030 -15.974) 17.312 10.627 ( 2.462 4.522 10.211) 11.435 10.700 ( 4.834 -2.843 3.939) 6.853 10.799 ( -3.382 7.631 13.150) 15.576 11.005 ( -11.303 -12.236 10.154) 19.509 11.787 ( -0.659 11.050 3.279) 11.545 12.017 ( 4.075 -11.795 5.747) 13.739 12.116 ( -0.061 12.440 2.637) 12.716 12.277 ( 3.057 -1.300 16.330) 16.664 12.439 ( -6.541 3.342 13.508) 15.376 12.586 ( -2.916 -10.457 0.632) 10.874 13.250 ( -2.553 9.436 5.423) 11.179 13.494 ( -5.277 -15.040 0.760) 15.957 14.545 ( 4.717 11.471 -12.247) 17.431 14.768 ( 3.973 -11.103 -13.987) 18.294 15.580 ( -8.616 5.512 -23.345) 25.488 15.642 ( -8.164 -1.038 -22.795) 24.235 18.393 ( 0.576 5.231 -4.950) 7.224 18.495 ( -1.326 -4.724 -4.878) 6.919 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.38 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 8.092 10.816 7.994) 15.696 2.714 ( 1.658 -3.552 3.176) 5.045 2.754 ( 5.590 2.030 3.432) 6.866 2.988 ( -1.245 -12.262 -0.759) 12.348 3.349 ( 9.269 3.452 13.109) 16.421 3.427 ( 0.493 -4.014 10.162) 10.937 3.735 ( -2.640 -3.167 11.336) 12.062 3.740 ( 5.588 -3.390 13.000) 14.550 4.210 ( -16.748 5.558 10.842) 20.711 4.308 ( -14.427 -4.049 11.150) 18.677 4.853 ( 8.639 13.449 4.068) 16.494 5.014 ( 3.736 3.067 -2.150) 5.290 5.166 ( -1.610 -1.174 26.022) 26.098 5.305 ( -3.410 -9.089 14.776) 17.680 5.745 ( 10.121 3.109 15.121) 18.460 5.811 ( 7.203 -3.131 17.940) 19.584 6.099 ( -5.705 6.287 3.852) 9.323 6.198 ( -6.935 -3.878 3.462) 8.667 7.749 ( -0.963 0.820 7.198) 7.309 7.779 ( -2.208 -2.165 6.576) 7.267 8.757 ( 6.325 1.068 -20.541) 21.519 8.791 ( 4.355 -2.373 -20.455) 21.047 9.138 ( 5.610 4.245 -15.001) 16.569 9.208 ( 3.032 -2.271 -16.291) 16.726 10.598 ( -1.863 3.970 14.700) 15.340 10.733 ( -5.403 -8.283 10.834) 14.669 10.859 ( 4.937 0.568 8.779) 10.088 10.876 ( 2.803 -1.485 6.658) 7.375 11.793 ( 1.614 17.190 1.047) 17.297 12.037 ( -6.140 15.012 -4.265) 16.770 12.144 ( 6.222 -10.308 7.791) 14.341 12.298 ( -0.652 3.072 26.775) 26.959 12.334 ( -2.318 -2.480 20.238) 20.521 12.487 ( -6.876 -17.808 2.957) 19.317 13.201 ( -1.322 5.107 3.507) 6.335 13.344 ( -7.731 -9.312 1.091) 12.152 14.741 ( 13.269 9.066 -17.822) 23.997 14.913 ( 9.495 -8.067 -18.700) 22.470 15.364 ( -12.047 4.686 -21.218) 24.845 15.429 ( -11.867 -1.839 -20.982) 24.175 18.411 ( 1.126 3.006 -4.763) 5.743 18.466 ( -1.383 -2.380 -4.702) 5.449 ======================= Grid point 202 (75/120) ======================= q-point: (-0.50 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -5.508 11.416 3.008) 13.028 2.618 ( 5.508 11.416 3.008) 13.028 2.935 ( -5.470 -13.663 0.878) 14.744 2.935 ( 5.470 -13.663 0.878) 14.744 3.425 ( -0.609 -1.859 13.387) 13.529 3.425 ( 0.609 -1.859 13.387) 13.529 3.829 ( -9.526 3.191 18.198) 20.787 3.829 ( 9.526 3.191 18.198) 20.787 4.021 ( -9.893 -3.332 4.601) 11.408 4.021 ( 9.893 -3.332 4.601) 11.408 4.994 ( -4.819 11.764 5.221) 13.744 4.994 ( 4.819 11.764 5.221) 13.744 5.211 ( -4.837 -8.366 17.308) 19.823 5.211 ( 4.837 -8.366 17.308) 19.823 5.936 ( -6.531 3.582 11.888) 14.029 5.936 ( 6.531 3.582 11.888) 14.029 6.019 ( -8.379 -2.572 7.688) 11.659 6.019 ( 8.379 -2.572 7.688) 11.659 7.747 ( -0.786 -0.645 6.905) 6.979 7.747 ( 0.786 -0.645 6.905) 6.979 8.829 ( -0.741 -0.992 -20.416) 20.454 8.829 ( 0.741 -0.992 -20.416) 20.454 9.222 ( -1.872 1.593 -15.966) 16.155 9.222 ( 1.872 1.593 -15.966) 16.155 10.617 ( -3.751 -3.686 14.551) 15.472 10.617 ( 3.751 -3.686 14.551) 15.472 10.927 ( -0.481 0.277 6.668) 6.691 10.927 ( 0.481 0.277 6.668) 6.691 11.878 ( -6.829 20.359 -0.736) 21.486 11.878 ( 6.829 20.359 -0.736) 21.486 12.293 ( -2.536 -3.611 23.564) 23.974 12.293 ( 2.536 -3.611 23.564) 23.974 12.321 ( -5.550 -13.864 6.845) 16.428 12.321 ( 5.550 -13.864 6.845) 16.428 13.221 ( -3.549 -1.846 1.882) 4.422 13.221 ( 3.549 -1.846 1.882) 4.422 15.030 ( -10.342 4.456 -25.602) 27.969 15.030 ( 10.342 4.456 -25.602) 27.969 15.191 ( -7.392 -2.862 -14.913) 16.889 15.191 ( 7.392 -2.862 -14.913) 16.889 18.438 ( -1.354 0.344 -4.677) 4.881 18.438 ( 1.354 0.344 -4.677) 4.881 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 0.000 -0.022) 0.022 2.436 ( 0.000 0.000 12.515) 12.515 2.714 ( 0.000 0.000 2.079) 2.079 3.349 ( 0.000 0.000 -2.193) 2.193 3.410 ( 0.000 0.000 14.205) 14.205 3.449 ( 0.000 0.000 4.601) 4.601 3.503 ( 0.000 0.000 0.312) 0.312 4.163 ( 0.000 0.000 -0.784) 0.784 4.543 ( 0.000 0.000 7.903) 7.903 4.606 ( 0.000 0.000 -14.533) 14.533 5.154 ( 0.000 0.000 3.475) 3.475 5.156 ( 0.000 0.000 12.283) 12.283 5.260 ( 0.000 0.000 31.995) 31.995 5.611 ( 0.000 0.000 -3.507) 3.507 6.000 ( 0.000 0.000 -12.710) 12.710 6.005 ( 0.000 0.000 25.818) 25.818 6.269 ( 0.000 0.000 15.802) 15.802 6.529 ( 0.000 0.000 27.556) 27.556 7.694 ( 0.000 0.000 -7.843) 7.843 8.086 ( 0.000 0.000 8.112) 8.112 8.201 ( 0.000 0.000 -5.913) 5.913 8.250 ( 0.000 0.000 8.139) 8.139 8.355 ( 0.000 0.000 -16.722) 16.722 8.885 ( 0.000 0.000 -13.336) 13.336 10.625 ( 0.000 0.000 -5.128) 5.128 10.717 ( 0.000 0.000 12.256) 12.256 10.912 ( 0.000 0.000 7.638) 7.638 11.456 ( 0.000 0.000 -4.576) 4.576 11.774 ( 0.000 0.000 -20.234) 20.234 11.907 ( 0.000 0.000 -5.797) 5.797 12.074 ( 0.000 0.000 -6.069) 6.069 12.160 ( 0.000 0.000 6.978) 6.978 12.751 ( 0.000 0.000 14.026) 14.026 12.919 ( 0.000 0.000 24.251) 24.251 13.380 ( 0.000 0.000 11.469) 11.469 13.864 ( 0.000 0.000 -3.831) 3.831 14.280 ( 0.000 0.000 -4.745) 4.745 14.755 ( 0.000 0.000 -13.114) 13.114 15.237 ( 0.000 0.000 -18.928) 18.928 15.271 ( 0.000 0.000 -19.731) 19.731 18.115 ( 0.000 0.000 -4.812) 4.812 18.575 ( 0.000 0.000 -5.108) 5.108 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -0.329 0.000 11.581) 11.586 2.439 ( 5.928 0.000 -2.563) 6.458 2.707 ( 0.263 0.000 4.398) 4.406 3.288 ( -2.880 0.000 1.482) 3.238 3.402 ( 0.240 0.000 10.616) 10.619 3.579 ( 9.246 0.000 -0.062) 9.247 3.599 ( 6.962 0.000 2.820) 7.512 4.110 ( -3.101 0.000 -0.220) 3.108 4.479 ( -5.901 0.000 8.196) 10.099 4.595 ( -1.073 0.000 -7.865) 7.938 4.997 ( -10.760 0.000 7.337) 13.023 5.199 ( -0.625 0.000 9.968) 9.988 5.393 ( 11.444 0.000 25.428) 27.884 5.640 ( 2.311 0.000 -5.060) 5.562 5.891 ( -6.284 0.000 -4.664) 7.826 5.935 ( -5.908 0.000 23.246) 23.985 6.364 ( 5.780 0.000 10.223) 11.744 6.503 ( -2.587 0.000 26.894) 27.019 7.800 ( 7.987 0.000 -5.380) 9.630 8.068 ( 0.518 0.000 4.073) 4.106 8.130 ( -3.860 0.000 4.204) 5.708 8.360 ( 7.200 0.000 -3.106) 7.842 8.429 ( 6.009 0.000 -14.435) 15.636 8.900 ( 1.298 0.000 -12.885) 12.950 10.644 ( 1.866 0.000 -5.005) 5.342 10.756 ( 3.603 0.000 12.165) 12.688 10.869 ( -2.930 0.000 9.224) 9.679 11.304 ( -8.990 0.000 -8.718) 12.523 11.833 ( -2.781 0.000 -9.439) 9.840 11.861 ( -4.366 0.000 -3.802) 5.789 12.183 ( 5.421 0.000 -4.848) 7.272 12.230 ( 13.518 0.000 3.353) 13.927 12.753 ( 0.541 0.000 11.598) 11.610 12.899 ( -1.891 0.000 23.621) 23.697 13.363 ( -1.682 0.000 11.266) 11.391 13.887 ( 2.359 0.000 -4.605) 5.174 14.186 ( -9.039 0.000 -4.653) 10.166 14.775 ( 1.786 0.000 -13.324) 13.443 15.085 ( -10.061 0.000 -20.210) 22.575 15.308 ( -0.459 0.000 -18.370) 18.376 18.129 ( 1.323 0.000 -4.787) 4.967 18.555 ( -1.912 0.000 -5.080) 5.428 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.104 0.000 9.417) 9.417 2.527 ( 0.729 0.000 -3.696) 3.768 2.806 ( 10.412 0.000 4.058) 11.174 3.251 ( -0.789 0.000 1.066) 1.326 3.428 ( 2.303 0.000 7.277) 7.633 3.706 ( 2.455 0.000 6.762) 7.194 3.792 ( 10.707 0.000 -2.939) 11.103 4.148 ( 8.232 0.000 1.398) 8.350 4.314 ( -9.502 0.000 9.815) 13.661 4.557 ( -2.800 0.000 -2.486) 3.745 4.704 ( -17.212 0.000 8.810) 19.336 5.114 ( -7.282 0.000 7.808) 10.677 5.667 ( 12.320 0.000 18.253) 22.022 5.684 ( 1.386 0.000 -4.563) 4.768 5.809 ( -3.916 0.000 18.079) 18.499 5.835 ( 1.407 0.000 3.502) 3.775 6.419 ( -5.480 0.000 24.425) 25.033 6.444 ( 1.375 0.000 8.851) 8.957 7.888 ( 0.603 0.000 3.774) 3.822 8.053 ( -3.529 0.000 7.168) 7.989 8.217 ( 12.557 0.000 -5.451) 13.690 8.508 ( 6.281 0.000 -8.254) 10.372 8.570 ( 7.149 0.000 -13.155) 14.972 8.929 ( 1.198 0.000 -11.788) 11.848 10.703 ( 3.807 0.000 -4.861) 6.174 10.856 ( 5.782 0.000 11.900) 13.230 10.857 ( 2.975 0.000 12.157) 12.516 11.141 ( -6.896 0.000 -7.979) 10.546 11.676 ( -10.354 0.000 -2.597) 10.675 11.733 ( -7.690 0.000 1.018) 7.757 12.301 ( 7.186 0.000 -2.165) 7.505 12.542 ( 10.004 0.000 10.986) 14.858 12.832 ( 9.748 0.000 0.299) 9.753 12.842 ( -3.530 0.000 21.802) 22.085 13.299 ( -4.931 0.000 10.541) 11.637 13.915 ( -16.300 0.000 -4.617) 16.941 13.972 ( 6.252 0.000 -7.984) 10.141 14.822 ( 2.487 0.000 -13.816) 14.038 14.867 ( -10.057 0.000 -20.258) 22.617 15.241 ( -5.877 0.000 -17.649) 18.602 18.171 ( 2.758 0.000 -4.804) 5.540 18.499 ( -3.373 0.000 -5.040) 6.064 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.737 0.000 6.862) 6.901 2.502 ( -2.134 0.000 0.828) 2.289 3.068 ( 12.176 0.000 -4.289) 12.910 3.245 ( -0.109 0.000 -2.536) 2.539 3.512 ( 6.809 0.000 5.814) 8.953 3.761 ( 4.435 0.000 14.423) 15.089 3.970 ( 2.019 0.000 -4.307) 4.757 4.114 ( -8.126 0.000 12.692) 15.070 4.333 ( -14.708 0.000 10.329) 17.973 4.399 ( 13.920 0.000 1.131) 13.966 4.470 ( -5.580 0.000 -0.589) 5.611 4.926 ( -10.400 0.000 4.759) 11.438 5.677 ( -3.020 0.000 12.444) 12.805 5.680 ( -1.455 0.000 0.000) 1.455 5.932 ( 6.998 0.000 9.643) 11.915 5.992 ( 12.883 0.000 14.185) 19.162 6.283 ( -7.112 0.000 20.143) 21.362 6.411 ( -4.571 0.000 9.504) 10.546 7.897 ( 0.938 0.000 6.747) 6.812 7.985 ( -2.944 0.000 8.195) 8.708 8.465 ( 9.598 0.000 -9.060) 13.198 8.599 ( 2.218 0.000 -10.821) 11.046 8.722 ( 7.386 0.000 -11.848) 13.961 8.932 ( -1.381 0.000 -10.592) 10.682 10.797 ( 4.924 0.000 -4.724) 6.824 10.989 ( 6.951 0.000 11.287) 13.256 10.995 ( 6.796 0.000 10.989) 12.921 11.014 ( -2.897 0.000 -1.660) 3.339 11.451 ( -10.331 0.000 -0.447) 10.341 11.549 ( -9.840 0.000 5.783) 11.413 12.483 ( 9.988 0.000 -0.751) 10.016 12.649 ( 3.983 0.000 15.179) 15.693 12.756 ( -4.640 0.000 18.661) 19.229 13.106 ( 13.002 0.000 0.032) 13.002 13.130 ( -12.079 0.000 7.316) 14.122 13.572 ( -14.587 0.000 -2.176) 14.749 14.163 ( 12.108 0.000 -14.419) 18.829 14.674 ( -9.296 0.000 -20.171) 22.211 14.874 ( 2.622 0.000 -14.297) 14.535 15.084 ( -8.202 0.000 -16.330) 18.274 18.241 ( 3.893 0.000 -4.906) 6.263 18.419 ( -4.204 0.000 -5.026) 6.553 ======================= Grid point 229 (80/120) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -1.792 0.000 4.102) 4.477 2.458 ( 1.792 0.000 4.102) 4.477 3.224 ( -2.942 0.000 -7.253) 7.827 3.224 ( 2.942 0.000 -7.253) 7.827 3.758 ( -15.629 0.000 6.342) 16.867 3.758 ( 15.629 0.000 6.342) 16.867 3.911 ( -9.943 0.000 14.992) 17.989 3.911 ( 9.943 0.000 14.992) 17.989 4.326 ( -7.452 0.000 1.289) 7.562 4.326 ( 7.452 0.000 1.289) 7.562 4.684 ( -12.877 0.000 2.658) 13.149 4.684 ( 12.877 0.000 2.658) 13.149 5.652 ( -0.548 0.000 5.856) 5.881 5.652 ( 0.548 0.000 5.856) 5.881 6.090 ( -6.918 0.000 15.316) 16.805 6.090 ( 6.918 0.000 15.316) 16.805 6.265 ( -8.541 0.000 11.323) 14.183 6.265 ( 8.541 0.000 11.323) 14.183 7.931 ( -2.215 0.000 8.052) 8.351 7.931 ( 2.215 0.000 8.052) 8.351 8.594 ( -2.946 0.000 -11.185) 11.567 8.594 ( 2.946 0.000 -11.185) 11.567 8.861 ( -5.419 0.000 -10.374) 11.704 8.861 ( 5.419 0.000 -10.374) 11.704 10.900 ( -5.039 0.000 -4.720) 6.904 10.900 ( 5.039 0.000 -4.720) 6.904 11.122 ( -3.020 0.000 14.054) 14.375 11.122 ( 3.020 0.000 14.054) 14.375 11.356 ( -5.667 0.000 3.671) 6.752 11.356 ( 5.667 0.000 3.671) 6.752 12.653 ( -5.534 0.000 12.701) 13.854 12.653 ( 5.534 0.000 12.701) 13.854 12.830 ( -14.173 0.000 4.676) 14.924 12.830 ( 14.173 0.000 4.676) 14.924 13.334 ( -9.720 0.000 2.237) 9.974 13.334 ( 9.720 0.000 2.237) 9.974 14.441 ( -13.250 0.000 -19.243) 23.363 14.441 ( 13.250 0.000 -19.243) 23.363 14.945 ( -4.742 0.000 -14.831) 15.571 14.945 ( 4.742 0.000 -14.831) 15.571 18.328 ( -4.388 0.000 -4.998) 6.651 18.328 ( 4.388 0.000 -4.998) 6.651 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.000 -0.546 2.735) 2.789 2.406 ( 0.000 -2.681 13.088) 13.360 2.762 ( 0.000 4.782 0.972) 4.880 3.257 ( 0.000 -8.266 -1.169) 8.349 3.278 ( 0.000 -2.528 12.867) 13.113 3.520 ( 0.000 0.800 0.411) 0.900 3.694 ( 0.000 14.280 4.933) 15.108 4.172 ( 0.000 0.517 -1.107) 1.222 4.435 ( 0.000 -9.505 7.305) 11.987 4.515 ( 0.000 -8.132 -11.154) 13.803 5.150 ( 0.000 -0.057 5.273) 5.273 5.170 ( 0.000 0.804 10.564) 10.595 5.351 ( 0.000 8.370 29.674) 30.832 5.646 ( 0.000 3.178 -3.834) 4.980 5.921 ( 0.000 -2.258 -2.113) 3.092 6.159 ( 0.000 9.032 14.568) 17.141 6.170 ( 0.000 -9.110 16.826) 19.134 6.519 ( 0.000 -1.450 25.438) 25.480 7.740 ( 0.000 4.321 -6.414) 7.734 8.043 ( 0.000 -3.786 5.422) 6.613 8.212 ( 0.000 0.595 -3.214) 3.268 8.231 ( 0.000 -1.179 5.754) 5.873 8.416 ( 0.000 5.419 -14.866) 15.823 8.833 ( 0.000 -5.075 -13.776) 14.681 10.634 ( 0.000 0.862 -2.245) 2.404 10.698 ( 0.000 -1.238 11.269) 11.337 11.014 ( 0.000 9.396 7.485) 12.013 11.470 ( 0.000 0.950 -5.930) 6.006 11.780 ( 0.000 0.451 -19.836) 19.841 11.928 ( 0.000 1.916 -4.396) 4.796 12.023 ( 0.000 -6.798 2.648) 7.296 12.089 ( 0.000 -4.475 -1.846) 4.841 12.778 ( 0.000 2.958 14.158) 14.464 12.937 ( 0.000 1.298 23.747) 23.783 13.387 ( 0.000 0.844 10.703) 10.736 13.763 ( 0.000 -9.272 -2.712) 9.660 14.317 ( 0.000 3.556 -5.595) 6.629 14.688 ( 0.000 -6.063 -12.102) 13.535 15.276 ( 0.000 3.194 -19.696) 19.953 15.301 ( 0.000 2.493 -20.513) 20.664 18.164 ( 0.000 4.781 -4.708) 6.710 18.536 ( 0.000 -3.897 -5.016) 6.352 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 2.009 -1.311 9.281) 9.586 2.463 ( 6.243 0.090 3.743) 7.280 2.746 ( -1.178 4.278 1.489) 4.681 3.218 ( -2.538 -6.057 -0.342) 6.576 3.324 ( 3.378 -4.514 12.180) 13.421 3.516 ( 1.614 -1.190 1.853) 2.731 3.780 ( 4.604 9.116 3.233) 10.712 4.150 ( 0.638 4.411 -2.419) 5.071 4.355 ( -4.911 -10.251 8.102) 13.959 4.596 ( 3.671 -1.392 -7.834) 8.763 5.009 ( -10.591 1.285 7.360) 12.961 5.172 ( -2.693 -2.675 9.890) 10.594 5.426 ( 6.844 3.452 22.379) 23.655 5.694 ( 3.854 4.341 -0.533) 5.829 5.802 ( -7.399 -2.779 2.866) 8.408 6.094 ( -4.028 9.255 16.565) 19.397 6.280 ( 5.731 -7.060 10.761) 14.089 6.496 ( -2.161 -1.403 23.501) 23.642 7.833 ( 6.896 3.142 -3.846) 8.498 8.034 ( -0.265 -2.601 5.553) 6.137 8.159 ( -1.993 1.990 2.202) 3.575 8.304 ( 5.388 -3.630 -5.427) 8.466 8.500 ( 6.588 5.161 -12.407) 14.966 8.856 ( 2.120 -4.239 -13.160) 13.987 10.656 ( 1.881 1.203 -2.317) 3.218 10.736 ( 3.493 -1.132 11.103) 11.695 10.960 ( -3.811 7.879 9.130) 12.647 11.325 ( -8.830 1.435 -8.763) 12.523 11.782 ( -6.217 -2.745 -5.831) 8.955 11.916 ( 0.455 3.120 -7.027) 7.702 12.125 ( 3.929 -6.107 2.027) 7.539 12.196 ( 14.855 -2.276 -4.790) 15.773 12.773 ( -0.402 2.414 12.878) 13.108 12.916 ( -1.845 1.270 23.405) 23.512 13.370 ( -1.732 0.806 10.397) 10.571 13.775 ( 0.891 -9.981 -2.973) 10.453 14.241 ( -6.737 4.981 -6.006) 10.308 14.683 ( -0.494 -7.533 -12.629) 14.713 15.165 ( -7.253 6.083 -20.671) 22.736 15.319 ( -1.250 0.750 -19.153) 19.208 18.174 ( 1.002 4.452 -4.701) 6.552 18.519 ( -1.601 -3.579 -5.005) 6.357 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 1.737 1.837 9.202) 9.543 2.589 ( 2.145 5.369 -2.980) 6.504 2.775 ( 6.917 -2.858 3.258) 8.163 3.172 ( -1.599 -7.214 -1.451) 7.530 3.408 ( 4.660 -1.598 11.194) 12.230 3.600 ( 5.538 -6.119 2.404) 8.597 3.829 ( 2.249 1.843 5.404) 6.137 4.191 ( -4.305 -6.042 5.097) 9.001 4.322 ( 7.935 9.712 1.858) 12.678 4.606 ( -3.867 3.890 -4.100) 6.848 4.731 ( -15.121 2.474 8.950) 17.744 5.058 ( -7.293 -5.645 5.718) 10.851 5.585 ( 6.374 -3.982 8.640) 11.452 5.697 ( -2.437 -3.393 10.708) 11.494 5.796 ( 6.466 7.053 11.151) 14.694 6.025 ( -1.587 10.698 9.410) 14.336 6.342 ( -0.854 -6.292 17.303) 18.431 6.443 ( -2.289 -1.392 13.958) 14.213 7.901 ( -0.090 1.214 4.754) 4.907 8.023 ( -2.247 -2.479 7.175) 7.916 8.242 ( 10.227 2.042 -6.017) 12.040 8.432 ( 6.139 -4.712 -10.079) 12.707 8.649 ( 7.316 5.143 -11.373) 14.468 8.910 ( 2.679 -2.053 -11.785) 12.259 10.694 ( 1.488 0.571 -1.442) 2.149 10.838 ( 6.239 -0.398 10.277) 12.029 10.937 ( 2.739 4.528 11.231) 12.415 11.154 ( -7.740 0.362 -6.050) 9.831 11.630 ( -7.369 0.238 -1.444) 7.513 11.851 ( -6.197 7.882 -3.027) 10.473 12.230 ( 6.302 -6.622 -0.855) 9.181 12.532 ( 14.002 -3.310 3.608) 14.833 12.769 ( 0.338 -2.579 8.869) 9.243 12.872 ( -1.849 1.854 20.854) 21.017 13.311 ( -3.828 1.221 9.395) 10.218 13.745 ( -6.446 -11.294 -1.905) 13.143 14.116 ( -1.625 8.862 -9.922) 13.402 14.668 ( -0.924 -8.853 -15.107) 17.534 15.015 ( -6.505 7.908 -19.132) 21.700 15.239 ( -6.246 -0.316 -18.252) 19.294 18.207 ( 2.169 3.512 -4.764) 6.304 18.472 ( -2.781 -2.649 -5.010) 6.313 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 1.511 4.283 6.067) 7.579 2.563 ( -2.626 6.035 0.114) 6.583 2.987 ( 10.210 -7.712 -2.720) 13.081 3.154 ( -0.402 -8.372 -3.060) 8.923 3.531 ( 7.734 1.504 6.947) 10.504 3.705 ( 4.594 -4.833 10.915) 12.791 3.933 ( 4.885 -2.052 2.249) 5.755 4.060 ( -4.178 -4.540 11.941) 13.441 4.332 ( -16.417 2.174 8.708) 18.711 4.493 ( -9.017 1.276 1.427) 9.218 4.564 ( 10.135 11.690 -1.872) 15.585 4.916 ( -6.252 -0.735 0.529) 6.317 5.641 ( 0.078 -2.476 10.521) 10.809 5.667 ( -1.171 -1.893 9.438) 9.697 5.968 ( 8.299 3.557 12.402) 15.341 6.061 ( 5.568 6.064 9.403) 12.497 6.261 ( -5.455 -2.398 18.180) 19.131 6.385 ( -4.422 -2.521 9.339) 10.636 7.897 ( 0.372 0.089 7.165) 7.175 7.967 ( -2.619 -1.646 8.246) 8.807 8.449 ( 7.911 -1.247 -9.746) 12.615 8.532 ( 3.121 -4.474 -11.702) 12.911 8.795 ( 6.599 5.200 -10.684) 13.591 8.947 ( 0.337 0.995 -10.427) 10.480 10.739 ( 3.403 -2.697 -0.025) 4.342 10.956 ( -1.287 -4.124 0.428) 4.341 11.013 ( 2.912 1.033 7.569) 8.175 11.067 ( 5.181 2.865 12.719) 14.029 11.499 ( -4.533 7.957 -0.759) 9.189 11.685 ( -9.153 11.144 0.331) 14.425 12.391 ( 9.255 -8.874 -1.839) 12.953 12.691 ( 2.837 4.324 17.632) 18.375 12.752 ( -3.246 -5.990 10.581) 12.585 12.874 ( -0.638 -8.886 8.643) 12.412 13.243 ( -0.624 3.080 6.547) 7.262 13.521 ( -11.780 -5.232 0.860) 12.918 14.227 ( 10.495 6.107 -16.381) 20.391 14.632 ( -3.573 -3.984 -20.072) 20.773 14.915 ( -2.576 3.574 -15.062) 15.693 15.078 ( -8.417 -0.766 -16.590) 18.619 18.263 ( 3.127 2.108 -4.923) 6.202 18.407 ( -3.423 -1.228 -5.051) 6.225 ======================= Grid point 238 (85/120) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -2.177 5.225 3.064) 6.437 2.511 ( 2.177 5.225 3.064) 6.437 3.127 ( -3.182 -8.855 -5.295) 10.797 3.127 ( 3.182 -8.855 -5.295) 10.797 3.719 ( -7.341 -3.216 8.295) 11.534 3.719 ( 7.341 -3.216 8.295) 11.534 3.963 ( -7.749 4.333 11.344) 14.405 3.963 ( 7.749 4.333 11.344) 14.405 4.268 ( -10.369 -4.567 4.668) 12.254 4.268 ( 10.369 -4.567 4.668) 12.254 4.770 ( -8.391 7.013 -2.092) 11.135 4.770 ( 8.391 7.013 -2.092) 11.135 5.644 ( -0.731 -0.964 10.552) 10.621 5.644 ( 0.731 -0.964 10.552) 10.621 6.109 ( -5.527 1.883 12.387) 13.694 6.109 ( 5.527 1.883 12.387) 13.694 6.253 ( -7.392 -1.172 11.373) 13.615 6.253 ( 7.392 -1.172 11.373) 13.615 7.921 ( -1.783 -0.917 8.177) 8.419 7.921 ( 1.783 -0.917 8.177) 8.419 8.549 ( -1.782 -3.417 -11.641) 12.262 8.549 ( 1.782 -3.417 -11.641) 12.262 8.910 ( -3.950 3.764 -9.956) 11.353 8.910 ( 3.950 3.764 -9.956) 11.353 10.838 ( -5.900 -4.690 -1.175) 7.628 10.838 ( 5.900 -4.690 -1.175) 7.628 11.119 ( -2.808 -0.122 13.173) 13.470 11.119 ( 2.808 -0.122 13.173) 13.470 11.508 ( -6.210 13.457 0.397) 14.826 11.508 ( 6.210 13.457 0.397) 14.826 12.602 ( -9.849 -9.370 1.296) 13.656 12.602 ( 9.849 -9.370 1.296) 13.656 12.777 ( -5.150 -0.202 16.359) 17.152 12.777 ( 5.150 -0.202 16.359) 17.152 13.324 ( -7.122 -1.381 3.914) 8.243 13.324 ( 7.122 -1.381 3.914) 8.243 14.473 ( -11.361 2.846 -20.984) 24.031 14.473 ( 11.361 2.846 -20.984) 24.031 14.935 ( -4.459 -0.910 -14.272) 14.980 14.935 ( 4.459 -0.910 -14.272) 14.980 18.333 ( -3.552 0.448 -5.045) 6.186 18.333 ( 3.552 0.448 -5.045) 6.186 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.000 -0.908 8.788) 8.835 2.355 ( 0.000 -1.859 12.783) 12.918 2.892 ( 0.000 8.112 0.974) 8.170 3.071 ( 0.000 -9.799 0.755) 9.828 3.335 ( 0.000 7.169 8.801) 11.351 3.482 ( 0.000 -5.605 2.370) 6.086 3.970 ( 0.000 13.529 3.599) 14.000 4.200 ( 0.000 1.688 3.347) 3.748 4.223 ( 0.000 -9.721 -0.195) 9.723 4.336 ( 0.000 -8.947 -5.851) 10.690 5.157 ( 0.000 0.779 6.425) 6.472 5.173 ( 0.000 -0.517 8.180) 8.196 5.554 ( 0.000 11.104 24.510) 26.908 5.691 ( 0.000 -0.690 3.725) 3.788 5.897 ( 0.000 -0.199 -4.917) 4.921 5.969 ( 0.000 -8.995 11.025) 14.229 6.331 ( 0.000 7.979 19.387) 20.965 6.459 ( 0.000 -4.822 22.593) 23.102 7.844 ( 0.000 5.782 -2.764) 6.408 7.953 ( 0.000 -5.192 1.668) 5.453 8.216 ( 0.000 -0.086 0.277) 0.290 8.216 ( 0.000 -0.281 3.564) 3.575 8.547 ( 0.000 7.616 -14.701) 16.557 8.702 ( 0.000 -7.726 -14.468) 16.402 10.655 ( 0.000 1.139 3.666) 3.839 10.677 ( 0.000 -1.056 8.609) 8.673 11.243 ( 0.000 12.789 5.179) 13.798 11.444 ( 0.000 -5.546 -3.125) 6.365 11.789 ( 0.000 0.767 -15.833) 15.852 11.852 ( 0.000 -7.046 -1.925) 7.305 11.972 ( 0.000 2.435 -2.139) 3.241 12.024 ( 0.000 -2.848 -3.400) 4.435 12.866 ( 0.000 5.269 16.002) 16.847 12.941 ( 0.000 -1.628 20.946) 21.009 13.426 ( 0.000 3.782 7.154) 8.092 13.559 ( 0.000 -9.720 0.907) 9.762 14.414 ( 0.000 6.141 -7.584) 9.758 14.550 ( 0.000 -7.418 -9.956) 12.415 15.332 ( 0.000 1.942 -20.937) 21.026 15.341 ( 0.000 1.034 -21.358) 21.383 18.287 ( 0.000 7.246 -4.641) 8.605 18.429 ( 0.000 -6.700 -4.799) 8.241 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 4.379 0.653 10.910) 11.774 2.430 ( 6.712 -2.705 8.617) 11.252 2.876 ( -1.933 8.381 -1.361) 8.708 3.056 ( -1.806 -9.521 -2.018) 9.899 3.337 ( 1.118 5.248 10.763) 12.026 3.459 ( -0.841 -5.365 4.404) 6.992 3.931 ( -2.815 7.580 5.680) 9.881 4.113 ( -5.200 -10.596 4.860) 12.765 4.322 ( 9.900 9.559 -2.702) 14.024 4.506 ( 10.099 -7.766 -7.201) 14.634 5.050 ( -9.625 2.726 7.553) 12.534 5.110 ( -6.969 -3.296 8.960) 11.820 5.533 ( -0.257 7.005 15.289) 16.819 5.667 ( -3.003 -5.725 6.679) 9.295 5.888 ( 2.913 8.969 5.026) 10.686 6.077 ( 5.540 -9.583 12.145) 16.433 6.301 ( -2.382 8.016 15.382) 17.508 6.433 ( -2.201 -5.084 19.771) 20.533 7.907 ( 4.183 3.915 0.267) 5.736 7.977 ( 1.188 -3.191 4.590) 5.715 8.196 ( 0.227 1.892 -0.689) 2.026 8.240 ( 2.886 -2.723 -4.126) 5.725 8.615 ( 5.656 6.480 -13.022) 15.606 8.746 ( 3.906 -6.546 -13.407) 15.422 10.687 ( 2.834 1.701 3.373) 4.723 10.715 ( 3.625 -1.170 8.299) 9.132 11.144 ( -7.733 10.029 6.016) 14.020 11.305 ( -9.752 -4.899 -2.799) 11.267 11.774 ( -2.438 3.169 -6.117) 7.308 11.894 ( 3.370 -6.835 -7.553) 10.730 12.063 ( 5.495 2.463 -0.847) 6.081 12.137 ( 10.345 -3.829 -5.042) 12.129 12.852 ( -1.330 4.913 16.338) 17.113 12.922 ( -1.676 -1.453 21.238) 21.353 13.412 ( -1.406 4.265 6.696) 8.062 13.559 ( -0.373 -10.422 0.764) 10.456 14.365 ( -4.034 7.384 -8.341) 11.848 14.522 ( -2.206 -8.405 -10.712) 13.794 15.271 ( -4.756 4.146 -21.176) 22.096 15.321 ( -2.900 -0.939 -20.545) 20.770 18.289 ( 0.186 6.736 -4.657) 8.191 18.420 ( -0.799 -6.196 -4.813) 7.886 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 5.626 4.656 8.511) 11.215 2.612 ( 10.038 -4.976 5.213) 12.357 2.806 ( -4.440 8.159 -3.262) 9.845 2.996 ( -3.184 -10.032 -3.906) 11.227 3.412 ( 6.026 2.571 11.031) 12.830 3.494 ( 4.436 -5.059 5.539) 8.714 3.888 ( -0.778 4.764 8.277) 9.582 4.023 ( -3.821 -8.641 8.568) 12.755 4.548 ( 10.329 10.374 -6.410) 15.981 4.659 ( 0.753 -0.240 -7.338) 7.380 4.789 ( -13.503 3.825 9.444) 16.916 4.911 ( -8.708 -8.175 5.835) 13.293 5.561 ( 2.362 1.549 11.344) 11.690 5.623 ( -0.779 -3.996 9.296) 10.148 5.969 ( 4.121 9.772 15.163) 18.504 6.146 ( 1.099 -5.518 17.741) 18.612 6.258 ( -1.539 4.957 8.514) 9.972 6.380 ( -2.671 -5.051 12.031) 13.319 7.932 ( -1.214 1.857 6.635) 6.996 7.973 ( -1.666 -2.378 7.474) 8.019 8.287 ( 7.671 2.596 -8.099) 11.453 8.348 ( 6.374 -3.678 -9.867) 12.309 8.752 ( 7.045 5.214 -11.218) 14.236 8.847 ( 5.387 -4.240 -11.548) 13.430 10.745 ( 1.561 4.030 1.774) 4.672 10.815 ( 5.191 -2.386 6.486) 8.643 11.019 ( -2.330 4.215 9.109) 10.304 11.111 ( -7.792 -4.547 2.714) 9.421 11.740 ( -0.781 10.080 -4.530) 11.078 11.933 ( 0.574 -5.238 -7.246) 8.960 12.152 ( 2.952 5.066 0.680) 5.903 12.358 ( 8.766 -12.156 -3.810) 15.463 12.813 ( -2.088 5.037 18.414) 19.204 12.885 ( -1.584 -1.359 21.385) 21.487 13.362 ( -3.426 4.752 5.899) 8.314 13.517 ( -4.290 -10.715 1.727) 11.671 14.300 ( -0.546 9.709 -12.063) 15.494 14.489 ( -0.167 -9.406 -13.770) 16.676 15.146 ( -7.062 5.206 -19.860) 21.712 15.218 ( -6.886 -2.158 -19.383) 20.683 18.297 ( 0.636 5.246 -4.775) 7.122 18.398 ( -1.248 -4.714 -4.902) 6.914 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 3.033 8.090 3.598) 9.360 2.713 ( -3.938 6.053 -2.042) 7.504 2.813 ( 8.273 -6.303 1.369) 10.491 2.955 ( -0.763 -11.048 -2.367) 11.325 3.562 ( 7.388 1.806 7.540) 10.710 3.614 ( 5.637 -3.741 7.940) 10.431 3.921 ( 3.988 0.969 8.590) 9.520 3.971 ( 0.927 -3.916 10.929) 11.647 4.402 ( -16.935 4.327 6.904) 18.793 4.479 ( -15.150 -2.814 4.769) 16.130 4.779 ( 7.817 8.997 -6.494) 13.573 4.892 ( 2.152 -2.603 -6.478) 7.305 5.603 ( 1.337 -0.757 15.468) 15.544 5.621 ( 0.105 -2.229 14.703) 14.871 6.062 ( 4.924 5.546 14.281) 16.092 6.158 ( 1.043 -1.608 15.091) 15.213 6.220 ( -2.424 3.056 7.763) 8.688 6.317 ( -3.821 -4.435 8.135) 10.023 7.905 ( -0.823 0.814 7.948) 8.031 7.931 ( -1.877 -1.764 8.307) 8.697 8.434 ( 5.332 0.062 -10.997) 12.222 8.460 ( 3.791 -2.611 -11.821) 12.686 8.890 ( 5.790 4.151 -10.028) 12.301 8.947 ( 3.508 -1.391 -10.149) 10.828 10.742 ( -0.446 3.139 1.952) 3.723 10.844 ( -3.538 -6.378 0.888) 7.347 11.045 ( 4.075 1.872 10.627) 11.535 11.076 ( 3.738 -1.072 12.453) 13.046 11.745 ( 1.475 14.682 -3.837) 15.246 11.907 ( -3.384 5.970 -6.583) 9.509 12.210 ( 3.588 -3.558 0.872) 5.128 12.435 ( -1.990 -18.754 -2.192) 18.986 12.796 ( 0.887 5.261 20.824) 21.497 12.855 ( -1.373 -0.272 22.289) 22.333 13.288 ( -2.767 2.976 5.162) 6.569 13.390 ( -6.791 -6.975 3.700) 10.414 14.375 ( 7.154 8.161 -18.395) 21.358 14.525 ( 2.909 -6.782 -19.487) 20.837 14.991 ( -7.266 3.706 -16.348) 18.270 15.050 ( -8.561 -2.193 -16.857) 19.033 18.316 ( 1.112 2.974 -4.989) 5.913 18.371 ( -1.390 -2.435 -5.056) 5.781 ======================= Grid point 247 (90/120) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -2.392 7.476 -0.078) 7.850 2.647 ( 2.392 7.476 -0.078) 7.850 2.930 ( -2.804 -9.368 -1.270) 9.861 2.930 ( 2.804 -9.368 -1.270) 9.861 3.663 ( -1.635 -1.830 9.415) 9.729 3.663 ( 1.635 -1.830 9.415) 9.729 4.051 ( -8.544 3.955 6.760) 11.590 4.051 ( 8.544 3.955 6.760) 11.590 4.180 ( -9.775 -3.896 8.995) 13.844 4.180 ( 9.775 -3.896 8.995) 13.844 4.893 ( -2.646 4.015 -8.208) 9.513 4.893 ( 2.646 4.015 -8.208) 9.513 5.619 ( -0.342 -1.125 18.306) 18.343 5.619 ( 0.342 -1.125 18.306) 18.343 6.155 ( -3.500 2.325 8.150) 9.169 6.155 ( 3.500 2.325 8.150) 9.169 6.222 ( -4.639 -1.757 11.685) 12.694 6.222 ( 4.639 -1.757 11.685) 12.694 7.904 ( -0.674 -0.571 8.410) 8.456 7.904 ( 0.674 -0.571 8.410) 8.456 8.495 ( -0.538 -1.583 -12.079) 12.194 8.495 ( 0.538 -1.583 -12.079) 12.194 8.970 ( -1.477 1.821 -9.657) 9.937 8.970 ( 1.477 1.821 -9.657) 9.937 10.765 ( -2.782 -2.134 2.099) 4.086 10.765 ( 2.782 -2.134 2.099) 4.086 11.118 ( -1.099 -0.020 12.192) 12.241 11.118 ( 1.099 -0.020 12.192) 12.241 11.811 ( -4.734 14.906 -4.400) 16.247 11.811 ( 4.734 14.906 -4.400) 16.247 12.322 ( -6.835 -14.867 -0.974) 16.392 12.322 ( 6.835 -14.867 -0.974) 16.392 12.826 ( -1.493 2.624 22.391) 22.593 12.826 ( 1.493 2.624 22.391) 22.593 13.284 ( -2.685 -1.910 4.493) 5.572 13.284 ( 2.685 -1.910 4.494) 5.572 14.527 ( -4.844 1.850 -23.732) 24.291 14.527 ( 4.844 1.850 -23.732) 24.291 14.916 ( -2.223 -0.699 -13.041) 13.247 14.916 ( 2.223 -0.699 -13.041) 13.247 18.342 ( -1.358 0.273 -5.118) 5.302 18.342 ( 1.358 0.273 -5.118) 5.302 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 0.000 -3.414) 3.414 2.599 ( 0.000 0.000 2.891) 2.891 2.712 ( 0.000 0.000 -2.918) 2.918 3.266 ( 0.000 0.000 -3.152) 3.152 3.493 ( 0.000 0.000 -0.995) 0.995 3.522 ( 0.000 0.000 2.741) 2.741 3.715 ( 0.000 0.000 14.834) 14.834 4.147 ( 0.000 0.000 -0.678) 0.678 4.345 ( 0.000 0.000 -10.825) 10.825 4.759 ( 0.000 0.000 11.945) 11.945 5.140 ( 0.000 0.000 -3.794) 3.794 5.325 ( 0.000 0.000 4.013) 4.013 5.537 ( 0.000 0.000 -1.553) 1.553 5.753 ( 0.000 0.000 -11.513) 11.513 5.796 ( 0.000 0.000 20.952) 20.952 6.435 ( 0.000 0.000 16.804) 16.804 6.586 ( 0.000 0.000 13.942) 13.942 6.993 ( 0.000 0.000 18.659) 18.659 7.630 ( 0.000 0.000 0.478) 0.478 8.046 ( 0.000 0.000 -13.975) 13.975 8.158 ( 0.000 0.000 0.463) 0.463 8.226 ( 0.000 0.000 5.591) 5.591 8.423 ( 0.000 0.000 8.549) 8.549 8.659 ( 0.000 0.000 -8.916) 8.916 10.536 ( 0.000 0.000 -3.641) 3.641 10.980 ( 0.000 0.000 13.841) 13.841 10.982 ( 0.000 0.000 -1.484) 1.484 11.383 ( 0.000 0.000 -14.972) 14.972 11.412 ( 0.000 0.000 0.833) 0.833 11.755 ( 0.000 0.000 -9.326) 9.326 11.892 ( 0.000 0.000 -9.796) 9.796 12.349 ( 0.000 0.000 8.759) 8.759 13.000 ( 0.000 0.000 9.826) 9.826 13.362 ( 0.000 0.000 19.940) 19.940 13.595 ( 0.000 0.000 9.820) 9.820 13.785 ( 0.000 0.000 -3.751) 3.751 14.194 ( 0.000 0.000 -3.913) 3.913 14.522 ( 0.000 0.000 -9.966) 9.966 14.880 ( 0.000 0.000 -18.667) 18.667 14.895 ( 0.000 0.000 -14.844) 14.844 18.033 ( 0.000 0.000 -3.298) 3.298 18.477 ( 0.000 0.000 -4.464) 4.464 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.518 0.000 -3.514) 5.723 2.584 ( -1.261 0.000 2.983) 3.238 2.720 ( 1.076 0.000 -3.154) 3.333 3.251 ( -1.352 0.000 -2.720) 3.038 3.497 ( 0.176 0.000 0.254) 0.309 3.585 ( 5.724 0.000 1.038) 5.818 3.778 ( 5.730 0.000 12.636) 13.874 4.102 ( -1.581 0.000 -0.606) 1.694 4.408 ( 3.730 0.000 -8.303) 9.103 4.693 ( -5.861 0.000 11.524) 12.929 5.067 ( -6.885 0.000 0.801) 6.931 5.344 ( -1.115 0.000 3.163) 3.354 5.499 ( -2.538 0.000 -6.742) 7.204 5.755 ( 2.238 0.000 -6.871) 7.226 5.866 ( 6.461 0.000 19.564) 20.604 6.305 ( -10.710 0.000 13.660) 17.358 6.626 ( 2.931 0.000 12.835) 13.166 6.960 ( -3.662 0.000 18.411) 18.772 7.748 ( 9.025 0.000 -0.264) 9.029 8.055 ( 2.484 0.000 -7.394) 7.800 8.187 ( 2.127 0.000 1.675) 2.708 8.282 ( 4.649 0.000 1.153) 4.790 8.403 ( -1.449 0.000 5.443) 5.633 8.689 ( 2.725 0.000 -7.826) 8.287 10.555 ( 1.845 0.000 -3.721) 4.153 10.976 ( -0.184 0.000 -0.843) 0.862 11.017 ( 3.370 0.000 13.657) 14.066 11.137 ( -9.117 0.000 -5.020) 10.408 11.647 ( 5.836 0.000 -5.502) 8.021 11.740 ( -1.422 0.000 -8.079) 8.203 12.016 ( 11.928 0.000 -9.498) 15.248 12.370 ( 3.952 0.000 7.509) 8.486 12.976 ( -2.070 0.000 8.990) 9.226 13.333 ( -2.879 0.000 19.771) 19.979 13.572 ( -2.284 0.000 9.375) 9.649 13.805 ( 1.773 0.000 -3.481) 3.906 14.104 ( -8.906 0.000 -3.390) 9.530 14.537 ( 1.395 0.000 -10.201) 10.296 14.684 ( -10.932 0.000 -19.688) 22.520 14.979 ( 0.997 0.000 -13.956) 13.991 18.044 ( 1.128 0.000 -3.490) 3.667 18.455 ( -2.015 0.000 -4.579) 5.003 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 4.176 0.000 -1.920) 4.596 2.555 ( -1.409 0.000 3.111) 3.415 2.778 ( 5.125 0.000 -5.752) 7.704 3.212 ( -2.429 0.000 -3.450) 4.219 3.509 ( 1.767 0.000 1.809) 2.529 3.737 ( 8.278 0.000 -1.652) 8.442 3.913 ( 6.177 0.000 11.547) 13.095 4.162 ( 8.007 0.000 0.058) 8.007 4.453 ( 0.409 0.000 -5.209) 5.225 4.540 ( -8.271 0.000 11.354) 14.048 4.845 ( -14.479 0.000 6.307) 15.793 5.199 ( -10.240 0.000 1.036) 10.292 5.512 ( 2.367 0.000 -11.642) 11.880 5.877 ( 9.039 0.000 1.402) 9.147 6.010 ( -1.503 0.000 12.717) 12.806 6.095 ( -0.201 0.000 11.894) 11.896 6.667 ( 0.336 0.000 11.342) 11.347 6.836 ( -8.103 0.000 16.872) 18.717 7.889 ( 4.182 0.000 -3.299) 5.326 8.205 ( -1.037 0.000 7.105) 7.180 8.206 ( 10.621 0.000 2.082) 10.823 8.393 ( 0.913 0.000 -3.761) 3.870 8.399 ( 6.644 0.000 -3.448) 7.486 8.758 ( 3.330 0.000 -5.208) 6.182 10.611 ( 3.499 0.000 -4.106) 5.395 10.958 ( -3.397 0.000 -8.191) 8.867 11.062 ( 3.784 0.000 6.558) 7.571 11.110 ( 5.243 0.000 13.033) 14.048 11.648 ( -4.183 0.000 1.247) 4.365 11.697 ( -2.689 0.000 -4.287) 5.060 12.227 ( 7.381 0.000 -5.871) 9.431 12.629 ( 19.436 0.000 1.419) 19.487 12.936 ( -0.837 0.000 6.766) 6.817 13.234 ( -6.920 0.000 17.512) 18.829 13.487 ( -6.731 0.000 8.171) 10.587 13.832 ( -15.567 0.000 -3.370) 15.928 13.857 ( 3.266 0.000 -3.661) 4.905 14.476 ( -8.593 0.000 -18.759) 20.633 14.573 ( 1.950 0.000 -10.780) 10.955 14.934 ( -4.994 0.000 -12.589) 13.543 18.081 ( 2.379 0.000 -4.014) 4.666 18.396 ( -3.529 0.000 -4.855) 6.002 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.897 0.000 1.031) 1.366 2.531 ( -0.778 0.000 3.030) 3.129 2.922 ( 7.526 0.000 -9.364) 12.013 3.149 ( -3.628 0.000 -5.903) 6.929 3.610 ( 8.564 0.000 3.428) 9.225 3.890 ( 4.792 0.000 -3.253) 5.792 4.039 ( 6.439 0.000 12.410) 13.980 4.363 ( 4.851 0.000 -3.180) 5.801 4.366 ( -8.128 0.000 11.625) 14.185 4.462 ( 5.794 0.000 0.345) 5.804 4.507 ( -15.814 0.000 7.862) 17.661 4.974 ( -11.528 0.000 0.648) 11.546 5.566 ( 3.004 0.000 -10.066) 10.505 5.815 ( -9.500 0.000 2.325) 9.780 6.105 ( 12.377 0.000 7.049) 14.244 6.285 ( 10.522 0.000 13.276) 16.940 6.626 ( -4.353 0.000 10.576) 11.437 6.632 ( -11.231 0.000 14.232) 18.130 7.970 ( 4.245 0.000 -0.385) 4.263 8.153 ( -3.577 0.000 7.632) 8.429 8.377 ( 4.796 0.000 -0.054) 4.796 8.422 ( 1.255 0.000 -6.971) 7.083 8.576 ( 9.728 0.000 -2.938) 10.162 8.800 ( 0.097 0.000 -2.878) 2.880 10.695 ( 4.417 0.000 -4.924) 6.615 10.875 ( -4.088 0.000 -7.133) 8.221 11.225 ( 5.742 0.000 11.345) 12.716 11.232 ( 10.705 0.000 6.525) 12.537 11.522 ( -6.908 0.000 9.257) 11.550 11.623 ( -4.743 0.000 2.156) 5.210 12.401 ( 10.330 0.000 -6.628) 12.274 12.898 ( 3.979 0.000 9.088) 9.920 13.024 ( -14.137 0.000 7.164) 15.848 13.101 ( 17.383 0.000 -0.542) 17.392 13.248 ( -14.287 0.000 5.608) 15.349 13.578 ( -8.312 0.000 3.139) 8.885 13.951 ( 6.273 0.000 -6.563) 9.079 14.311 ( -8.053 0.000 -15.949) 17.866 14.616 ( 2.242 0.000 -11.316) 11.536 14.799 ( -7.037 0.000 -11.871) 13.800 18.143 ( 3.522 0.000 -4.644) 5.829 18.314 ( -4.273 0.000 -5.095) 6.649 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -0.196 0.000 2.490) 2.498 2.522 ( 0.196 0.000 2.490) 2.498 3.057 ( -5.356 0.000 -8.795) 10.298 3.057 ( 5.356 0.000 -8.795) 10.298 3.835 ( -10.282 0.000 1.324) 10.367 3.835 ( 10.282 0.000 1.324) 10.367 4.192 ( -8.442 0.000 12.373) 14.978 4.192 ( 8.442 0.000 12.372) 14.978 4.340 ( -0.514 0.000 1.487) 1.573 4.340 ( 0.514 0.000 1.487) 1.573 4.714 ( -13.378 0.000 0.585) 13.391 4.714 ( 13.378 0.000 0.585) 13.391 5.654 ( -5.846 0.000 -4.374) 7.301 5.654 ( 5.846 0.000 -4.374) 7.301 6.369 ( -11.978 0.000 11.601) 16.675 6.369 ( 11.978 0.000 11.601) 16.675 6.495 ( -7.461 0.000 10.691) 13.037 6.495 ( 7.461 0.000 10.691) 13.037 8.065 ( -4.633 0.000 4.011) 6.128 8.065 ( 4.633 0.000 4.011) 6.128 8.430 ( -0.796 0.000 -4.639) 4.706 8.430 ( 0.796 0.000 -4.639) 4.706 8.744 ( -5.647 0.000 -1.894) 5.956 8.744 ( 5.647 0.000 -1.894) 5.956 10.788 ( -4.343 0.000 -5.935) 7.355 10.788 ( 4.343 0.000 -5.935) 7.355 11.344 ( -4.760 0.000 5.092) 6.971 11.344 ( 4.760 0.000 5.093) 6.971 11.488 ( -7.491 0.000 12.225) 14.338 11.488 ( 7.491 0.000 12.225) 14.338 12.678 ( -16.405 0.000 -5.343) 17.253 12.678 ( 16.405 0.000 -5.343) 17.253 13.014 ( -8.089 0.000 9.579) 12.538 13.014 ( 8.089 0.000 9.579) 12.538 13.401 ( -10.597 0.000 4.013) 11.331 13.401 ( 10.597 0.000 4.013) 11.332 14.123 ( -9.629 0.000 -12.227) 15.563 14.123 ( 9.629 0.000 -12.227) 15.563 14.678 ( -4.188 0.000 -11.538) 12.275 14.678 ( 4.188 0.000 -11.538) 12.275 18.224 ( -4.228 0.000 -5.058) 6.593 18.224 ( 4.228 0.000 -5.058) 6.593 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 5.507 -1.102) 5.616 2.588 ( 0.000 -1.107 4.150) 4.295 2.720 ( 0.000 1.207 -4.256) 4.424 3.148 ( 0.000 -9.552 -5.598) 11.071 3.502 ( 0.000 -0.190 7.259) 7.262 3.549 ( 0.000 3.426 1.337) 3.677 3.831 ( 0.000 9.755 9.319) 13.491 4.140 ( 0.000 -0.710 -1.400) 1.569 4.308 ( 0.000 -3.381 -8.751) 9.381 4.643 ( 0.000 -10.710 11.460) 15.686 5.160 ( 0.000 1.996 -2.577) 3.259 5.327 ( 0.000 -0.503 4.739) 4.765 5.539 ( 0.000 0.709 -4.437) 4.493 5.706 ( 0.000 -3.276 -8.346) 8.966 5.881 ( 0.000 7.472 17.679) 19.193 6.502 ( 0.000 -8.059 14.410) 16.511 6.535 ( 0.000 8.764 16.414) 18.607 6.967 ( 0.000 -2.786 18.434) 18.643 7.691 ( 0.000 5.800 0.774) 5.851 8.098 ( 0.000 4.968 -13.067) 13.979 8.102 ( 0.000 -4.765 1.930) 5.141 8.253 ( 0.000 1.875 4.530) 4.903 8.410 ( 0.000 -1.192 7.650) 7.742 8.596 ( 0.000 -5.976 -9.545) 11.261 10.581 ( 0.000 4.251 -3.099) 5.261 10.892 ( 0.000 -4.379 4.472) 6.259 11.112 ( 0.000 8.068 4.618) 9.296 11.401 ( 0.000 -1.126 0.272) 1.159 11.434 ( 0.000 5.279 -11.040) 12.237 11.790 ( 0.000 3.309 -9.076) 9.660 11.892 ( 0.000 -0.201 -8.994) 8.996 12.220 ( 0.000 -12.061 7.357) 14.128 13.021 ( 0.000 2.468 9.158) 9.485 13.374 ( 0.000 -0.037 19.445) 19.445 13.602 ( 0.000 0.578 10.604) 10.620 13.708 ( 0.000 -6.489 -2.193) 6.850 14.211 ( 0.000 1.782 -5.001) 5.309 14.467 ( 0.000 -4.854 -9.787) 10.924 14.904 ( 0.000 2.099 -18.576) 18.695 14.921 ( 0.000 2.028 -15.353) 15.486 18.083 ( 0.000 4.808 -3.323) 5.845 18.440 ( 0.000 -3.626 -4.298) 5.624 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 4.595 5.608 -1.676) 7.441 2.585 ( -0.333 0.056 3.410) 3.427 2.718 ( 0.086 0.165 -3.944) 3.949 3.135 ( -1.081 -9.603 -4.424) 10.628 3.536 ( 1.777 -0.030 1.121) 2.101 3.544 ( 1.216 0.368 6.543) 6.665 3.892 ( 4.659 8.760 8.060) 12.784 4.110 ( 0.490 1.253 -1.218) 1.814 4.390 ( 4.953 -2.157 -6.750) 8.646 4.593 ( -4.416 -8.996 9.807) 14.021 5.088 ( -6.778 2.173 1.685) 7.314 5.318 ( -3.665 -2.857 4.466) 6.445 5.498 ( -1.730 0.774 -7.381) 7.621 5.708 ( 1.766 -3.897 -6.062) 7.420 5.951 ( 6.172 7.792 17.536) 20.157 6.418 ( -9.546 9.903 13.214) 19.074 6.549 ( 3.566 -7.306 13.227) 15.526 6.926 ( -4.183 -3.515 17.814) 18.633 7.797 ( 8.065 4.628 0.066) 9.298 8.099 ( 1.632 4.142 -5.461) 7.046 8.137 ( 2.791 -4.288 1.636) 5.372 8.299 ( 2.901 0.778 2.094) 3.661 8.400 ( 0.192 0.032 3.146) 3.152 8.638 ( 3.718 -4.865 -8.378) 10.377 10.598 ( 1.512 4.105 -3.352) 5.511 10.911 ( 1.515 -4.308 1.873) 4.936 11.111 ( 0.031 7.116 7.295) 10.191 11.182 ( -7.308 3.717 -1.440) 8.325 11.634 ( 3.494 -0.514 -4.752) 5.921 11.773 ( 0.173 2.633 -8.039) 8.461 12.016 ( 10.724 -0.141 -8.958) 13.974 12.258 ( 5.059 -10.268 6.005) 12.926 13.001 ( -1.646 2.981 8.677) 9.321 13.349 ( -2.461 0.537 19.574) 19.735 13.574 ( -2.673 0.192 9.872) 10.229 13.723 ( 1.278 -7.105 -1.974) 7.484 14.130 ( -7.726 2.600 -4.911) 9.517 14.445 ( -2.367 -6.637 -11.267) 13.289 14.773 ( -6.600 6.185 -18.046) 20.186 14.976 ( 0.175 -0.475 -14.552) 14.561 18.091 ( 0.789 4.463 -3.518) 5.738 18.422 ( -1.737 -3.339 -4.430) 5.812 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 3.761 5.759 -1.456) 7.031 2.572 ( -0.900 1.898 2.077) 2.954 2.751 ( 4.039 -2.616 -4.855) 6.836 3.109 ( -1.386 -8.969 -3.318) 9.663 3.537 ( 1.323 1.810 2.101) 3.072 3.660 ( 7.510 -5.023 2.926) 9.497 3.972 ( 3.286 3.930 8.727) 10.120 4.218 ( 8.276 4.311 -0.544) 9.347 4.443 ( -0.911 -3.264 3.188) 4.653 4.493 ( -3.698 -1.305 -0.320) 3.935 4.876 ( -13.699 2.740 6.393) 15.363 5.138 ( -10.826 -5.440 2.077) 12.293 5.529 ( 3.366 1.932 -9.691) 10.439 5.810 ( 7.488 -5.006 2.459) 9.337 6.099 ( 5.490 7.104 14.629) 17.164 6.212 ( -7.059 10.615 7.885) 14.989 6.607 ( 1.214 -5.854 11.727) 13.163 6.793 ( -8.376 -4.421 15.627) 18.273 7.922 ( 3.526 3.195 -2.345) 5.305 8.170 ( 0.189 -2.732 6.706) 7.244 8.219 ( 7.941 0.510 1.197) 8.047 8.333 ( 1.489 -2.854 0.741) 3.303 8.474 ( 6.479 4.395 -6.438) 10.136 8.733 ( 4.834 -2.489 -5.792) 7.944 10.637 ( 2.221 2.801 -3.506) 5.007 10.921 ( -1.585 -3.406 -6.078) 7.145 11.113 ( 3.200 4.182 8.433) 9.942 11.172 ( 4.216 5.404 9.698) 11.876 11.607 ( -3.525 -1.004 0.348) 3.682 11.770 ( -1.880 4.596 -4.617) 6.781 12.186 ( 5.474 -3.897 -4.626) 8.158 12.512 ( 16.857 -10.876 -1.105) 20.092 12.967 ( -1.310 4.000 8.173) 9.193 13.269 ( -5.218 2.607 17.968) 18.891 13.489 ( -5.472 -0.130 8.294) 9.938 13.733 ( -2.701 -7.755 0.758) 8.246 13.933 ( -7.512 5.765 -8.181) 12.514 14.370 ( -4.396 -7.156 -14.707) 16.936 14.674 ( -2.828 6.509 -14.568) 16.205 14.921 ( -5.121 -1.333 -13.124) 14.150 18.117 ( 1.761 3.486 -4.047) 5.624 18.371 ( -2.994 -2.498 -4.753) 6.148 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -0.457 2.328 1.865) 3.018 2.558 ( -0.156 4.158 -0.118) 4.163 2.879 ( 6.941 -3.879 -7.160) 10.700 3.072 ( -2.375 -7.020 -4.469) 8.654 3.629 ( 7.864 1.574 3.038) 8.576 3.819 ( 6.306 -5.450 0.804) 8.374 4.055 ( 4.900 1.132 8.989) 10.300 4.282 ( -3.276 -5.582 9.185) 11.236 4.396 ( -5.811 1.512 -1.497) 6.188 4.496 ( 1.755 1.852 -0.420) 2.586 4.575 ( -7.738 6.363 4.826) 11.120 4.930 ( -9.288 -3.736 1.025) 10.063 5.613 ( 4.792 4.584 -7.100) 9.715 5.888 ( -5.274 4.544 7.710) 10.388 6.099 ( 7.460 1.151 2.376) 7.913 6.313 ( 8.438 2.860 12.876) 15.658 6.571 ( -7.599 -5.069 12.463) 15.452 6.602 ( -6.751 -3.354 10.911) 13.262 7.987 ( 3.355 1.700 0.830) 3.851 8.135 ( -2.879 -1.687 7.756) 8.443 8.352 ( 3.962 -2.204 -0.741) 4.594 8.374 ( 1.845 -3.384 -4.350) 5.812 8.640 ( 8.534 4.988 -4.680) 10.937 8.808 ( 1.606 0.346 -3.748) 4.092 10.693 ( 3.263 0.365 -3.480) 4.785 10.857 ( -3.939 -1.996 -6.478) 7.841 11.238 ( 7.030 2.096 11.317) 13.487 11.322 ( 10.030 5.638 9.882) 15.167 11.517 ( -5.231 2.215 5.071) 7.614 11.689 ( -5.585 5.738 0.188) 8.010 12.318 ( 8.094 -7.543 -5.640) 12.419 12.746 ( -0.534 -19.153 -3.276) 19.439 12.965 ( 2.629 6.155 9.722) 11.804 13.162 ( -3.622 4.847 13.217) 14.536 13.372 ( -3.467 4.691 5.990) 8.361 13.574 ( -8.381 -1.183 4.268) 9.479 13.945 ( 5.943 0.814 -11.076) 12.596 14.267 ( -5.912 -4.177 -16.127) 17.677 14.644 ( -0.169 2.522 -11.917) 12.182 14.788 ( -6.807 -1.107 -12.098) 13.926 18.164 ( 2.740 2.049 -4.675) 5.793 18.302 ( -3.546 -1.193 -5.054) 6.288 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -0.258 2.820 1.121) 3.045 2.551 ( 0.258 2.820 1.121) 3.045 3.002 ( -4.587 -5.101 -6.653) 9.556 3.002 ( 4.587 -5.101 -6.653) 9.556 3.819 ( -7.418 -1.456 2.092) 7.844 3.819 ( 7.418 -1.456 2.092) 7.844 4.178 ( -6.961 -1.001 9.052) 11.462 4.178 ( 6.961 -1.001 9.052) 11.462 4.333 ( -4.758 -0.825 2.872) 5.619 4.333 ( 4.758 -0.825 2.872) 5.619 4.734 ( -9.849 2.000 -0.809) 10.083 4.734 ( 9.849 2.000 -0.809) 10.083 5.736 ( -7.118 7.446 -0.721) 10.326 5.736 ( 7.118 7.446 -0.721) 10.326 6.327 ( -11.823 -4.040 9.014) 15.406 6.327 ( 11.823 -4.040 9.014) 15.406 6.485 ( -6.471 -0.894 10.914) 12.720 6.485 ( 6.471 -0.894 10.914) 12.720 8.063 ( -3.765 -0.106 4.967) 6.234 8.063 ( 3.765 -0.106 4.967) 6.234 8.392 ( -0.288 -3.028 -3.990) 5.017 8.392 ( 0.288 -3.028 -3.990) 5.017 8.781 ( -4.284 2.963 -3.163) 6.094 8.781 ( 4.284 2.963 -3.163) 6.094 10.771 ( -4.098 -1.339 -4.522) 6.248 10.771 ( 4.098 -1.339 -4.522) 6.248 11.384 ( -6.868 2.050 10.817) 12.976 11.384 ( 6.868 2.050 10.817) 12.976 11.539 ( -9.074 6.679 4.600) 12.170 11.539 ( 9.074 6.679 4.600) 12.170 12.540 ( -12.990 -12.563 -5.596) 18.918 12.540 ( 12.990 -12.563 -5.596) 18.918 13.066 ( -5.774 5.223 11.192) 13.634 13.066 ( 5.774 5.223 11.192) 13.634 13.426 ( -6.290 1.001 5.751) 8.582 13.426 ( 6.290 1.001 5.751) 8.582 14.110 ( -8.811 -0.930 -14.824) 17.269 14.110 ( 8.811 -0.930 -14.824) 17.269 14.676 ( -3.495 -0.246 -11.416) 11.941 14.676 ( 3.495 -0.246 -11.416) 11.941 18.229 ( -3.412 0.402 -5.067) 6.122 18.229 ( 3.412 0.402 -5.067) 6.122 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 4.973 4.984) 7.041 2.555 ( 0.000 -2.347 6.494) 6.905 2.784 ( 0.000 5.878 -8.314) 10.182 2.947 ( 0.000 -10.055 -8.559) 13.205 3.535 ( 0.000 2.977 7.896) 8.438 3.580 ( 0.000 -0.640 4.693) 4.737 4.042 ( 0.000 9.905 3.399) 10.472 4.125 ( 0.000 -0.717 -3.033) 3.116 4.251 ( 0.000 -0.414 -1.633) 1.684 4.396 ( 0.000 -12.849 9.411) 15.926 5.216 ( 0.000 3.543 0.426) 3.568 5.287 ( 0.000 -3.312 3.748) 5.002 5.578 ( 0.000 2.989 -7.927) 8.472 5.641 ( 0.000 -3.257 -8.688) 9.278 6.069 ( 0.000 11.174 17.003) 20.346 6.300 ( 0.000 -11.697 15.645) 19.534 6.723 ( 0.000 9.363 16.799) 19.232 6.879 ( 0.000 -6.258 17.747) 18.818 7.832 ( 0.000 7.949 1.482) 8.086 7.984 ( 0.000 -7.092 2.112) 7.400 8.221 ( 0.000 6.601 -8.713) 10.931 8.283 ( 0.000 0.572 3.808) 3.850 8.387 ( 0.000 -0.472 3.137) 3.172 8.454 ( 0.000 -7.263 -9.483) 11.944 10.685 ( 0.000 5.881 -1.547) 6.081 10.797 ( 0.000 -5.356 1.079) 5.463 11.269 ( 0.000 6.782 0.731) 6.821 11.363 ( 0.000 -3.056 -0.688) 3.132 11.601 ( 0.000 11.940 -2.409) 12.181 11.847 ( 0.000 -7.805 -3.308) 8.477 11.865 ( 0.000 3.761 -7.960) 8.804 11.959 ( 0.000 -9.818 -0.473) 9.829 13.116 ( 0.000 7.515 8.172) 11.102 13.292 ( 0.000 -8.536 11.647) 14.440 13.610 ( 0.000 0.164 11.476) 11.477 13.618 ( 0.000 -1.571 7.179) 7.349 14.266 ( 0.000 3.843 -7.287) 8.238 14.360 ( 0.000 -5.503 -9.035) 10.578 14.943 ( 0.000 1.478 -17.915) 17.976 14.951 ( 0.000 0.699 -16.619) 16.633 18.204 ( 0.000 7.044 -3.509) 7.870 18.340 ( 0.000 -6.332 -3.900) 7.436 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 4.522 4.308 4.141) 7.493 2.581 ( 2.264 -0.828 4.820) 5.389 2.761 ( -2.065 5.474 -7.696) 9.667 2.929 ( -1.463 -10.464 -7.199) 12.786 3.532 ( 0.580 1.204 6.395) 6.533 3.559 ( -1.339 -0.710 4.493) 4.741 4.062 ( 0.174 7.878 7.313) 10.750 4.151 ( 3.933 1.009 -0.746) 4.128 4.327 ( 4.708 -2.177 -0.746) 5.241 4.406 ( 2.270 -8.397 1.524) 8.831 5.150 ( -6.778 4.038 3.470) 8.619 5.239 ( -6.311 -4.700 4.711) 9.171 5.544 ( -0.855 3.599 -7.507) 8.369 5.624 ( 0.335 -4.343 -6.831) 8.101 6.141 ( 5.815 11.004 15.473) 19.858 6.362 ( 4.856 -10.958 14.057) 18.472 6.633 ( -7.660 10.808 14.360) 19.537 6.818 ( -5.672 -7.579 16.256) 18.812 7.910 ( 5.955 6.391 0.750) 8.768 8.034 ( 3.970 -5.974 1.472) 7.323 8.199 ( -0.461 5.360 -0.306) 5.389 8.283 ( -0.897 -2.734 4.341) 5.208 8.427 ( 4.805 3.191 -4.200) 7.135 8.523 ( 5.583 -6.076 -8.513) 11.856 10.701 ( 1.279 5.943 -2.455) 6.557 10.815 ( 1.436 -5.463 -0.726) 5.695 11.242 ( -2.946 4.275 5.338) 7.447 11.251 ( -4.801 2.539 2.061) 5.809 11.670 ( 1.498 5.262 -2.678) 6.091 11.791 ( 0.137 -3.043 -4.979) 5.837 12.007 ( 8.126 -0.504 -6.929) 10.691 12.052 ( 8.474 -7.382 -0.484) 11.249 13.111 ( -0.458 8.203 8.595) 11.890 13.287 ( -0.567 -7.696 13.256) 15.338 13.579 ( -2.907 0.493 9.954) 10.381 13.608 ( -0.962 -3.126 6.188) 6.999 14.203 ( -5.662 4.774 -7.813) 10.765 14.314 ( -3.996 -6.358 -10.141) 12.618 14.883 ( -3.917 4.695 -17.178) 18.233 14.951 ( -1.707 -2.237 -15.888) 16.136 18.204 ( -0.043 6.535 -3.699) 7.509 18.329 ( -0.997 -5.855 -4.065) 7.197 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 1.302 3.156 1.495) 3.727 2.672 ( 6.809 0.691 0.951) 6.910 2.706 ( -2.904 5.313 -5.790) 8.378 2.906 ( -0.375 -11.023 -3.521) 11.577 3.562 ( 2.309 0.882 3.319) 4.138 3.587 ( 4.926 -2.214 4.413) 6.974 4.063 ( 0.385 5.809 8.741) 10.502 4.198 ( -0.649 -6.777 7.925) 10.448 4.433 ( 6.506 3.752 -4.203) 8.606 4.489 ( 3.078 -1.060 -7.399) 8.083 4.938 ( -12.881 3.521 6.205) 14.725 5.024 ( -12.023 -5.393 4.625) 13.965 5.594 ( 5.111 4.639 -5.224) 8.656 5.701 ( 6.731 -5.853 -0.398) 8.928 6.266 ( 5.217 9.510 13.956) 17.676 6.445 ( -6.840 8.307 8.835) 13.923 6.456 ( 0.827 -5.316 12.900) 13.977 6.660 ( -8.959 -9.047 12.547) 17.876 8.003 ( 2.325 4.744 0.106) 5.284 8.097 ( 1.148 -4.517 3.409) 5.774 8.238 ( 3.889 1.626 2.446) 4.873 8.280 ( 1.287 -2.520 3.139) 4.226 8.568 ( 8.153 5.056 -7.250) 12.025 8.664 ( 7.381 -4.433 -6.790) 10.965 10.721 ( 0.421 5.457 -3.569) 6.534 10.833 ( -0.419 -5.399 -4.636) 7.129 11.197 ( 1.647 3.950 10.223) 11.083 11.244 ( 2.516 0.239 10.006) 10.320 11.671 ( -0.043 7.776 -1.882) 8.001 11.812 ( 0.692 -2.809 -5.115) 5.877 12.130 ( 3.821 1.140 -3.058) 5.025 12.271 ( 9.694 -11.617 -3.919) 15.630 13.103 ( -0.047 9.232 10.105) 13.687 13.267 ( -1.267 -4.926 15.779) 16.578 13.494 ( -4.975 1.814 7.346) 9.056 13.577 ( -2.319 -6.599 5.016) 8.607 14.069 ( -5.724 7.684 -10.834) 14.463 14.223 ( -4.056 -7.782 -12.734) 15.464 14.793 ( -4.638 5.314 -15.190) 16.747 14.877 ( -5.201 -3.245 -14.311) 15.568 18.205 ( 0.220 5.066 -4.205) 6.587 18.302 ( -1.582 -4.465 -4.490) 6.527 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -0.343 3.737 -1.594) 4.077 2.649 ( -2.270 2.816 -3.959) 5.362 2.811 ( 5.725 -0.644 -1.062) 5.859 2.911 ( 0.336 -8.365 -1.596) 8.523 3.664 ( 7.110 2.110 3.047) 8.018 3.722 ( 6.911 -3.988 2.995) 8.523 4.088 ( 2.394 2.666 7.419) 8.239 4.168 ( -0.946 -5.350 8.156) 9.800 4.442 ( -7.871 2.997 -2.162) 8.696 4.496 ( -6.227 -1.879 -2.133) 6.845 4.719 ( -2.162 7.379 1.732) 7.882 4.843 ( -4.539 -5.175 1.364) 7.018 5.733 ( 7.800 7.121 0.053) 10.562 5.867 ( 7.704 -5.647 7.727) 12.286 6.231 ( -6.890 10.413 2.878) 12.814 6.393 ( 2.457 4.464 11.193) 12.298 6.433 ( -7.519 -8.204 9.815) 14.839 6.509 ( -2.079 -5.742 10.195) 11.884 8.034 ( 1.280 2.890 3.946) 5.056 8.091 ( -1.090 -2.677 7.038) 7.609 8.313 ( 2.621 -1.084 -2.435) 3.739 8.321 ( 1.866 -1.761 -1.905) 3.196 8.736 ( 7.052 4.249 -5.445) 9.871 8.796 ( 4.561 -1.787 -5.021) 7.015 10.726 ( 0.436 2.975 -2.742) 4.069 10.797 ( -2.475 -3.776 -4.337) 6.260 11.292 ( 6.231 3.069 13.087) 14.816 11.346 ( 5.862 -2.044 14.007) 15.321 11.681 ( 1.162 11.526 -1.993) 11.754 11.801 ( -1.962 2.505 -3.950) 5.072 12.184 ( 2.345 -1.861 -3.438) 4.559 12.368 ( -1.191 -17.436 -4.031) 17.936 13.124 ( 2.377 8.938 12.001) 15.151 13.239 ( -1.541 -0.018 16.083) 16.157 13.402 ( -2.893 1.500 6.111) 6.925 13.496 ( -5.217 -6.144 6.885) 10.600 14.025 ( 1.746 6.552 -16.172) 17.536 14.160 ( -2.293 -6.529 -16.522) 17.912 14.701 ( -3.688 3.025 -12.594) 13.467 14.755 ( -5.868 -2.286 -12.534) 14.027 18.215 ( 0.748 2.850 -4.781) 5.616 18.267 ( -1.641 -2.327 -4.935) 5.697 ======================= Grid point 292 (105/120) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.704 2.997 -2.643) 4.058 2.617 ( 0.704 2.997 -2.643) 4.058 2.895 ( -2.279 -4.324 -1.871) 5.234 2.895 ( 2.279 -4.324 -1.871) 5.234 3.790 ( -2.309 -1.079 3.452) 4.291 3.790 ( 2.309 -1.079 3.452) 4.291 4.166 ( -3.096 -0.205 4.247) 5.259 4.166 ( 3.096 -0.205 4.247) 5.259 4.313 ( -3.363 -0.815 4.484) 5.664 4.313 ( 3.363 -0.815 4.484) 5.664 4.775 ( -3.445 1.488 -2.474) 4.494 4.775 ( 3.445 1.488 -2.474) 4.494 5.892 ( -6.093 6.490 8.520) 12.323 5.892 ( 6.093 6.490 8.520) 12.323 6.230 ( -7.791 -4.602 0.865) 9.090 6.230 ( 7.791 -4.602 0.865) 9.090 6.467 ( -2.718 -0.619 11.490) 11.823 6.467 ( 2.718 -0.619 11.490) 11.823 8.063 ( -1.472 0.066 6.905) 7.061 8.063 ( 1.472 0.066 6.905) 7.061 8.341 ( -0.109 -1.644 -4.045) 4.368 8.341 ( 0.109 -1.644 -4.045) 4.368 8.830 ( -1.567 1.479 -4.505) 4.994 8.830 ( 1.567 1.479 -4.505) 4.994 10.749 ( -1.843 -0.650 -2.690) 3.325 10.749 ( 1.843 -0.650 -2.690) 3.325 11.397 ( -2.224 -0.060 14.939) 15.104 11.397 ( 2.224 -0.060 14.939) 15.104 11.734 ( -3.787 10.134 -2.882) 11.196 11.734 ( 3.787 10.134 -2.882) 11.196 12.269 ( -5.935 -11.997 -4.434) 14.100 12.269 ( 5.935 -11.997 -4.434) 14.100 13.190 ( -3.230 5.834 14.062) 15.563 13.190 ( 3.230 5.834 14.062) 15.563 13.401 ( -2.864 -2.973 7.242) 8.336 13.401 ( 2.864 -2.973 7.242) 8.336 14.099 ( -3.943 -0.184 -18.796) 19.206 14.099 ( 3.943 -0.184 -18.796) 19.206 14.671 ( -1.411 -0.176 -11.210) 11.300 14.671 ( 1.411 -0.176 -11.210) 11.300 18.236 ( -1.298 0.246 -5.081) 5.250 18.236 ( 1.298 0.246 -5.081) 5.250 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.000 0.000 -1.171) 1.171 2.581 ( 0.000 0.000 -2.221) 2.221 2.639 ( 0.000 0.000 -2.841) 2.841 3.260 ( 0.000 0.000 1.114) 1.114 3.475 ( 0.000 0.000 -0.549) 0.549 3.559 ( 0.000 0.000 0.939) 0.939 3.961 ( 0.000 0.000 8.948) 8.948 4.138 ( 0.000 0.000 -0.228) 0.228 4.174 ( 0.000 0.000 -6.464) 6.464 4.951 ( 0.000 0.000 5.057) 5.057 5.069 ( 0.000 0.000 -1.295) 1.295 5.337 ( 0.000 0.000 -0.800) 0.800 5.555 ( 0.000 0.000 1.466) 1.466 5.564 ( 0.000 0.000 -6.153) 6.153 6.081 ( 0.000 0.000 7.287) 7.287 6.664 ( 0.000 0.000 5.847) 5.847 6.784 ( 0.000 0.000 5.252) 5.252 7.265 ( 0.000 0.000 7.901) 7.901 7.677 ( 0.000 0.000 3.820) 3.820 7.807 ( 0.000 0.000 -9.422) 9.422 8.179 ( 0.000 0.000 0.874) 0.874 8.303 ( 0.000 0.000 1.983) 1.983 8.538 ( 0.000 0.000 -3.078) 3.078 8.558 ( 0.000 0.000 3.997) 3.997 10.485 ( 0.000 0.000 -1.322) 1.322 10.869 ( 0.000 0.000 -5.760) 5.760 11.242 ( 0.000 0.000 -1.550) 1.550 11.256 ( 0.000 0.000 13.076) 13.076 11.487 ( 0.000 0.000 5.678) 5.678 11.542 ( 0.000 0.000 -11.435) 11.435 11.700 ( 0.000 0.000 -8.516) 8.516 12.477 ( 0.000 0.000 3.515) 3.515 13.135 ( 0.000 0.000 3.515) 3.515 13.697 ( 0.000 0.000 11.810) 11.810 13.727 ( 0.000 0.000 -1.704) 1.704 13.750 ( 0.000 0.000 4.781) 4.781 14.119 ( 0.000 0.000 -3.490) 3.490 14.375 ( 0.000 0.000 -4.070) 4.070 14.574 ( 0.000 0.000 -9.724) 9.724 14.671 ( 0.000 0.000 -6.528) 6.528 17.987 ( 0.000 0.000 -1.191) 1.191 18.410 ( 0.000 0.000 -1.849) 1.849 ======================= Grid point 316 (107/120) ======================= q-point: ( 0.12 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 5.126 0.000 -0.926) 5.209 2.576 ( -0.417 0.000 -1.750) 1.799 2.637 ( -0.109 0.000 -3.299) 3.301 3.235 ( -2.334 0.000 0.455) 2.378 3.490 ( 1.115 0.000 -0.378) 1.178 3.605 ( 4.285 0.000 0.664) 4.336 3.992 ( 3.224 0.000 7.634) 8.287 4.081 ( -0.166 0.000 -1.806) 1.814 4.292 ( 5.879 0.000 -3.206) 6.696 4.880 ( -6.340 0.000 5.640) 8.486 5.074 ( 0.387 0.000 0.538) 0.662 5.297 ( -4.043 0.000 -4.047) 5.721 5.431 ( -9.594 0.000 -1.701) 9.744 5.672 ( 8.562 0.000 -1.305) 8.661 6.137 ( 5.187 0.000 7.036) 8.741 6.484 ( -14.507 0.000 4.445) 15.172 6.813 ( 2.072 0.000 5.047) 5.456 7.224 ( -4.498 0.000 7.412) 8.670 7.739 ( 2.932 0.000 -1.264) 3.193 7.930 ( 12.756 0.000 -2.971) 13.097 8.206 ( 2.502 0.000 0.340) 2.525 8.330 ( 2.359 0.000 1.690) 2.902 8.503 ( -4.853 0.000 3.271) 5.852 8.591 ( 4.672 0.000 -2.263) 5.191 10.502 ( 1.634 0.000 -1.398) 2.150 10.854 ( -1.421 0.000 -5.523) 5.702 11.140 ( -3.697 0.000 1.347) 3.935 11.289 ( 2.909 0.000 13.071) 13.391 11.545 ( 0.462 0.000 -11.049) 11.059 11.646 ( 6.283 0.000 4.252) 7.587 11.827 ( 13.593 0.000 -8.590) 16.080 12.484 ( 1.915 0.000 3.197) 3.727 13.097 ( -3.185 0.000 3.080) 4.431 13.667 ( -3.571 0.000 11.494) 12.036 13.722 ( -2.313 0.000 4.975) 5.486 13.756 ( 2.498 0.000 -1.270) 2.802 14.067 ( -6.357 0.000 0.766) 6.403 14.322 ( -14.733 0.000 -14.850) 20.918 14.386 ( 0.970 0.000 -4.236) 4.346 14.777 ( 2.690 0.000 -5.565) 6.181 17.995 ( 0.780 0.000 -1.316) 1.530 18.386 ( -2.215 0.000 -1.922) 2.933 ======================= Grid point 317 (108/120) ======================= q-point: ( 0.25 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 7.776 0.000 1.390) 7.899 2.566 ( -0.438 0.000 -0.717) 0.841 2.641 ( 1.005 0.000 -5.923) 6.008 3.165 ( -4.366 0.000 -0.974) 4.474 3.525 ( 3.015 0.000 0.197) 3.021 3.722 ( 6.499 0.000 -0.178) 6.502 4.096 ( 5.855 0.000 5.684) 8.160 4.157 ( 7.650 0.000 -0.478) 7.665 4.383 ( 2.890 0.000 -1.821) 3.416 4.720 ( -8.408 0.000 5.429) 10.008 4.987 ( -12.491 0.000 7.868) 14.762 5.182 ( -7.318 0.000 -2.095) 7.612 5.267 ( -1.244 0.000 -10.718) 10.790 5.903 ( 13.201 0.000 0.932) 13.234 6.146 ( -16.163 0.000 2.682) 16.384 6.288 ( 8.171 0.000 5.597) 9.904 6.836 ( -0.417 0.000 4.668) 4.687 7.076 ( -9.613 0.000 6.527) 11.620 7.805 ( 4.157 0.000 -3.329) 5.326 8.247 ( 15.541 0.000 1.436) 15.607 8.274 ( 3.858 0.000 -0.204) 3.863 8.379 ( -6.643 0.000 1.858) 6.898 8.388 ( 3.143 0.000 0.621) 3.203 8.704 ( 5.396 0.000 -0.915) 5.473 10.551 ( 2.927 0.000 -1.678) 3.374 10.813 ( -2.362 0.000 -4.476) 5.061 11.153 ( 4.598 0.000 2.123) 5.065 11.358 ( 3.104 0.000 11.163) 11.587 11.572 ( 2.445 0.000 -7.894) 8.264 11.732 ( 2.741 0.000 5.344) 6.005 12.084 ( 8.143 0.000 -6.578) 10.468 12.658 ( 16.378 0.000 1.137) 16.418 13.030 ( -2.460 0.000 2.382) 3.424 13.521 ( -11.972 0.000 9.844) 15.500 13.606 ( -12.522 0.000 1.981) 12.678 13.817 ( -10.692 0.000 3.694) 11.312 13.818 ( 3.253 0.000 -0.582) 3.305 14.132 ( -4.674 0.000 -14.314) 15.058 14.411 ( 1.322 0.000 -4.681) 4.864 14.756 ( -4.298 0.000 -4.762) 6.415 18.022 ( 1.820 0.000 -1.640) 2.451 18.322 ( -3.801 0.000 -2.096) 4.341 ======================= Grid point 318 (109/120) ======================= q-point: ( 0.38 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -0.058 0.000 0.357) 0.361 2.562 ( 1.133 0.000 3.702) 3.872 2.735 ( 8.102 0.000 -7.960) 11.358 3.055 ( -6.178 0.000 -2.707) 6.745 3.645 ( 8.645 0.000 0.504) 8.660 3.846 ( 4.324 0.000 -1.093) 4.460 4.224 ( 6.699 0.000 5.364) 8.582 4.324 ( 4.368 0.000 -0.750) 4.432 4.465 ( 8.514 0.000 -0.070) 8.514 4.544 ( -8.335 0.000 5.272) 9.862 4.644 ( -17.198 0.000 4.609) 17.805 4.979 ( -11.524 0.000 0.502) 11.535 5.354 ( 7.395 0.000 -8.328) 11.138 5.821 ( -14.584 0.000 -0.535) 14.594 6.205 ( 15.459 0.000 2.668) 15.687 6.475 ( 9.163 0.000 5.075) 10.475 6.784 ( -4.585 0.000 4.383) 6.343 6.834 ( -13.391 0.000 5.440) 14.454 7.920 ( 6.788 0.000 -2.528) 7.244 8.234 ( -7.303 0.000 0.060) 7.303 8.356 ( 3.646 0.000 0.489) 3.679 8.418 ( 1.367 0.000 2.282) 2.660 8.557 ( 11.659 0.000 -0.081) 11.659 8.780 ( 1.276 0.000 -0.022) 1.276 10.619 ( 3.543 0.000 -2.195) 4.168 10.758 ( -2.907 0.000 -3.510) 4.557 11.290 ( 7.051 0.000 0.915) 7.110 11.399 ( 0.796 0.000 4.963) 5.026 11.650 ( 4.600 0.000 0.705) 4.653 11.760 ( -0.003 0.000 10.662) 10.662 12.238 ( 9.496 0.000 -7.905) 12.356 13.020 ( 4.100 0.000 3.340) 5.288 13.066 ( -26.715 0.000 -0.478) 26.719 13.087 ( 19.959 0.000 -0.763) 19.973 13.357 ( -10.947 0.000 3.623) 11.531 13.682 ( -6.454 0.000 5.801) 8.678 13.887 ( 3.365 0.000 -0.802) 3.460 14.048 ( -4.054 0.000 -9.348) 10.190 14.443 ( 1.915 0.000 -5.109) 5.456 14.628 ( -6.991 0.000 -4.658) 8.401 18.072 ( 3.033 0.000 -2.009) 3.638 18.235 ( -4.401 0.000 -2.248) 4.942 ======================= Grid point 319 (110/120) ======================= q-point: (-0.50 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.275 0.000 1.496) 1.521 2.564 ( 0.275 0.000 1.496) 1.521 2.909 ( -7.875 0.000 -4.814) 9.230 2.909 ( 7.875 0.000 -4.814) 9.230 3.834 ( -6.657 0.000 -0.542) 6.679 3.834 ( 6.657 0.000 -0.542) 6.679 4.375 ( -8.005 0.000 5.019) 9.448 4.375 ( 8.005 0.000 5.019) 9.448 4.386 ( -5.713 0.000 2.208) 6.125 4.386 ( 5.714 0.000 2.208) 6.125 4.717 ( -13.307 0.000 -0.068) 13.307 4.717 ( 13.307 0.000 -0.068) 13.307 5.550 ( -11.332 0.000 -4.009) 12.021 5.550 ( 11.332 0.000 -4.009) 12.021 6.530 ( -15.422 0.000 4.231) 15.992 6.530 ( 15.422 0.000 4.231) 15.992 6.654 ( -7.645 0.000 4.416) 8.829 6.654 ( 7.645 0.000 4.416) 8.829 8.075 ( -7.822 0.000 -1.255) 7.922 8.075 ( 7.822 0.000 -1.255) 7.922 8.414 ( -1.658 0.000 1.189) 2.040 8.414 ( 1.658 0.000 1.189) 2.040 8.739 ( -5.449 0.000 0.355) 5.461 8.739 ( 5.449 0.000 0.355) 5.461 10.693 ( -3.413 0.000 -2.826) 4.431 10.693 ( 3.413 0.000 -2.826) 4.431 11.389 ( -2.156 0.000 0.830) 2.310 11.389 ( 2.156 0.000 0.830) 2.310 11.733 ( -2.778 0.000 8.672) 9.106 11.733 ( 2.778 0.000 8.672) 9.106 12.551 ( -20.947 0.000 -5.291) 21.604 12.551 ( 20.947 0.000 -5.291) 21.605 13.146 ( -8.690 0.000 3.392) 9.329 13.146 ( 8.690 0.000 3.392) 9.329 13.470 ( -14.699 0.000 2.213) 14.864 13.470 ( 14.699 0.000 2.213) 14.864 13.962 ( -3.968 0.000 -3.861) 5.536 13.962 ( 3.968 0.000 -3.861) 5.536 14.504 ( -4.394 0.000 -5.037) 6.684 14.504 ( 4.394 0.000 -5.037) 6.684 18.146 ( -4.040 0.000 -2.239) 4.619 18.146 ( 4.040 0.000 -2.239) 4.619 ======================= Grid point 324 (111/120) ======================= q-point: ( 0.00 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 8.323 -0.656) 8.349 2.586 ( 0.000 0.498 -1.950) 2.013 2.635 ( 0.000 -0.332 -2.993) 3.012 3.101 ( 0.000 -12.185 -0.072) 12.186 3.568 ( 0.000 5.611 0.566) 5.639 3.580 ( 0.000 2.069 1.500) 2.556 4.021 ( 0.000 5.365 8.266) 9.854 4.123 ( 0.000 -1.488 -0.395) 1.539 4.165 ( 0.000 -0.138 -6.072) 6.073 4.825 ( 0.000 -11.851 5.229) 12.953 5.107 ( 0.000 3.916 -1.463) 4.180 5.359 ( 0.000 1.929 -0.333) 1.958 5.504 ( 0.000 -4.668 0.134) 4.670 5.542 ( 0.000 -2.031 -5.407) 5.775 6.146 ( 0.000 6.306 6.955) 9.388 6.705 ( 0.000 -7.457 5.393) 9.203 6.761 ( 0.000 8.811 5.855) 10.579 7.235 ( 0.000 -3.249 7.593) 8.259 7.740 ( 0.000 5.963 3.769) 7.054 7.872 ( 0.000 6.351 -8.807) 10.858 8.137 ( 0.000 -3.989 1.195) 4.164 8.327 ( 0.000 2.194 2.304) 3.182 8.461 ( 0.000 -7.319 -3.771) 8.234 8.535 ( 0.000 -2.285 3.734) 4.378 10.527 ( 0.000 3.947 -1.700) 4.297 10.825 ( 0.000 -3.951 -5.116) 6.464 11.292 ( 0.000 5.148 8.688) 10.099 11.358 ( 0.000 8.962 3.010) 9.454 11.477 ( 0.000 -0.971 5.953) 6.031 11.577 ( 0.000 3.611 -11.801) 12.341 11.708 ( 0.000 0.554 -8.385) 8.403 12.327 ( 0.000 -13.999 2.950) 14.307 13.142 ( 0.000 1.211 3.041) 3.273 13.614 ( 0.000 -9.280 1.608) 9.418 13.769 ( 0.000 4.961 9.968) 11.134 13.783 ( 0.000 2.990 6.089) 6.783 14.109 ( 0.000 -0.895 -5.204) 5.280 14.313 ( 0.000 -5.582 -4.872) 7.410 14.605 ( 0.000 2.785 -9.328) 9.735 14.691 ( 0.000 1.349 -6.599) 6.735 18.036 ( 0.000 4.706 -1.227) 4.863 18.376 ( 0.000 -3.363 -1.767) 3.799 ======================= Grid point 325 (112/120) ======================= q-point: ( 0.12 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 4.436 7.671 -0.632) 8.884 2.581 ( -0.441 0.514 -1.757) 1.883 2.631 ( -0.268 -0.516 -3.210) 3.262 3.097 ( -0.536 -11.244 -0.090) 11.257 3.541 ( -0.624 3.056 0.136) 3.122 3.624 ( 2.342 1.378 1.632) 3.169 4.046 ( 3.302 5.037 5.321) 8.037 4.098 ( 1.073 2.244 -0.115) 2.490 4.281 ( 6.520 -1.184 -3.436) 7.465 4.757 ( -5.899 -11.264 4.896) 13.625 5.119 ( 0.579 4.411 1.789) 4.795 5.312 ( -4.321 1.461 -4.296) 6.266 5.403 ( -9.629 -2.444 -0.827) 9.969 5.614 ( 7.771 -5.463 -2.367) 9.789 6.203 ( 5.105 6.366 6.679) 10.545 6.597 ( -13.316 10.214 4.557) 17.391 6.740 ( 2.614 -6.862 5.093) 8.937 7.181 ( -5.428 -4.505 6.993) 9.933 7.794 ( 2.767 5.228 -0.830) 5.973 7.993 ( 11.982 6.061 -2.513) 13.661 8.166 ( 2.617 -3.820 0.425) 4.650 8.345 ( 1.568 1.387 1.847) 2.792 8.486 ( -4.166 -1.771 3.105) 5.489 8.526 ( 5.680 -6.050 -2.853) 8.776 10.540 ( 1.289 3.646 -1.771) 4.253 10.818 ( -0.757 -3.390 -4.958) 6.053 11.216 ( -3.472 7.195 2.237) 8.296 11.335 ( 1.711 3.792 12.367) 13.048 11.572 ( -0.042 2.671 -10.239) 10.582 11.651 ( 6.446 0.502 3.779) 7.489 11.830 ( 12.379 0.379 -8.815) 15.201 12.351 ( 3.028 -12.414 2.631) 13.046 13.115 ( -2.241 2.238 2.789) 4.220 13.635 ( 1.370 -8.256 4.169) 9.350 13.729 ( -3.655 2.995 6.890) 8.354 13.761 ( -1.998 2.897 6.368) 7.276 14.057 ( -5.996 -0.957 -1.467) 6.247 14.226 ( -8.372 -6.012 -10.193) 14.495 14.491 ( -3.916 6.778 -8.219) 11.350 14.764 ( 1.739 -1.403 -5.863) 6.274 18.040 ( 0.443 4.365 -1.349) 4.591 18.356 ( -1.961 -3.099 -1.848) 4.107 ======================= Grid point 326 (113/120) ======================= q-point: ( 0.25 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 6.115 5.552 1.213) 8.348 2.570 ( -0.554 0.410 -1.147) 1.338 2.633 ( 1.218 -0.698 -5.331) 5.512 3.071 ( -2.129 -8.384 -0.612) 8.671 3.552 ( 2.271 2.105 0.139) 3.100 3.697 ( 5.066 -2.280 0.847) 5.620 4.120 ( 3.194 2.403 4.629) 6.116 4.207 ( 8.787 4.644 -0.413) 9.947 4.387 ( 3.363 0.234 -2.056) 3.948 4.610 ( -7.713 -9.908 4.138) 13.221 5.010 ( -13.548 1.840 6.436) 15.112 5.160 ( -9.760 -2.546 1.188) 10.156 5.307 ( 3.770 5.034 -10.540) 12.274 5.834 ( 12.786 -6.589 0.394) 14.390 6.280 ( -13.854 11.781 3.449) 18.509 6.345 ( 5.747 5.733 4.733) 9.397 6.780 ( 0.544 -5.430 4.729) 7.221 7.014 ( -10.332 -6.255 5.915) 13.448 7.856 ( 3.767 4.916 -2.652) 6.737 8.228 ( 4.488 -3.827 0.892) 5.966 8.287 ( 11.149 2.755 3.114) 11.899 8.382 ( -2.756 1.085 -1.054) 3.144 8.390 ( 1.905 -0.142 1.059) 2.184 8.666 ( 6.806 -3.688 -1.397) 7.866 10.578 ( 2.265 2.699 -1.809) 3.961 10.792 ( -1.658 -2.127 -4.212) 5.001 11.232 ( 4.750 7.390 2.720) 9.197 11.388 ( 3.133 2.801 10.388) 11.206 11.590 ( 2.030 1.845 -5.558) 6.198 11.735 ( 2.391 0.133 3.281) 4.062 12.056 ( 6.703 -2.322 -6.376) 9.538 12.514 ( 12.754 -13.143 0.563) 18.323 13.073 ( -1.112 4.709 2.557) 5.472 13.566 ( -9.669 3.705 10.339) 14.633 13.633 ( -7.564 0.453 5.083) 9.125 13.745 ( 2.020 -4.955 -2.325) 5.834 13.832 ( -11.021 1.191 1.778) 11.227 14.088 ( -4.503 -4.158 -12.475) 13.899 14.458 ( -0.392 4.413 -6.131) 7.564 14.734 ( -4.314 -2.239 -5.082) 7.032 18.057 ( 1.210 3.403 -1.667) 3.978 18.299 ( -3.310 -2.327 -2.042) 4.532 ======================= Grid point 327 (114/120) ======================= q-point: ( 0.38 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -0.164 0.144 -0.379) 0.437 2.573 ( -0.112 0.803 1.453) 1.664 2.741 ( 7.738 0.962 -5.299) 9.428 3.005 ( -4.299 -4.698 -1.831) 6.627 3.659 ( 8.010 1.334 0.385) 8.129 3.815 ( 5.087 -2.835 -0.387) 5.836 4.199 ( 4.492 -1.778 4.173) 6.383 4.347 ( 1.634 2.022 -0.410) 2.632 4.438 ( -3.858 -6.105 3.891) 8.204 4.482 ( 2.164 -2.064 -1.005) 3.155 4.682 ( -13.453 3.848 3.888) 14.523 4.956 ( -10.174 -2.241 1.337) 10.503 5.453 ( 9.372 9.415 -6.243) 14.679 5.963 ( -14.059 12.556 0.686) 18.862 6.135 ( 14.715 -6.676 1.432) 16.222 6.500 ( 7.573 2.506 5.026) 9.428 6.748 ( -4.610 -3.917 4.792) 7.717 6.764 ( -12.481 -6.614 4.377) 14.788 7.959 ( 6.066 3.862 -1.783) 7.409 8.238 ( -6.223 0.208 1.734) 6.464 8.316 ( 3.628 -3.412 -0.210) 4.985 8.397 ( 0.364 -2.053 2.267) 3.080 8.593 ( 10.867 3.290 -0.812) 11.383 8.771 ( 2.588 -1.023 -0.548) 2.836 10.632 ( 2.862 1.340 -1.928) 3.702 10.750 ( -2.437 -0.973 -3.250) 4.177 11.372 ( 6.999 7.286 1.668) 10.240 11.456 ( 3.043 5.765 5.067) 8.256 11.653 ( 3.619 0.487 1.597) 3.986 11.750 ( -0.784 -0.836 8.228) 8.308 12.173 ( 7.153 -5.836 -7.331) 11.789 12.690 ( -3.077 -20.706 -1.696) 21.002 13.093 ( 3.523 7.008 3.210) 8.475 13.353 ( -4.280 9.860 5.883) 12.254 13.445 ( -7.622 8.379 0.109) 11.328 13.685 ( -5.858 -0.132 6.350) 8.641 13.812 ( 3.836 -6.813 -2.426) 8.186 14.000 ( -4.433 -4.657 -9.701) 11.638 14.460 ( 0.670 1.704 -5.505) 5.801 14.612 ( -6.504 -1.628 -4.898) 8.304 18.093 ( 2.266 1.995 -2.024) 3.635 18.225 ( -3.720 -1.113 -2.221) 4.474 ======================= Grid point 328 (115/120) ======================= q-point: (-0.50 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.387 0.046 0.321) 0.505 2.564 ( 0.387 0.046 0.321) 0.505 2.893 ( -6.448 -1.413 -3.349) 7.402 2.893 ( 6.448 -1.413 -3.349) 7.402 3.828 ( -5.360 -0.512 -0.343) 5.395 3.828 ( 5.360 -0.512 -0.343) 5.395 4.308 ( -5.840 -5.250 3.882) 8.760 4.308 ( 5.840 -5.250 3.882) 8.760 4.382 ( -5.161 -0.745 1.157) 5.341 4.382 ( 5.161 -0.745 1.157) 5.341 4.738 ( -10.433 2.028 0.718) 10.653 4.738 ( 10.433 2.028 0.718) 10.653 5.682 ( -12.458 12.058 -2.659) 17.540 5.682 ( 12.458 12.058 -2.659) 17.540 6.455 ( -15.413 -7.443 3.436) 17.458 6.455 ( 15.413 -7.443 3.436) 17.458 6.647 ( -6.258 -0.621 4.464) 7.713 6.647 ( 6.258 -0.621 4.464) 7.713 8.098 ( -6.988 2.259 -0.337) 7.352 8.098 ( 6.988 2.259 -0.337) 7.352 8.379 ( -2.091 -3.248 1.081) 4.011 8.379 ( 2.091 -3.248 1.081) 4.011 8.755 ( -4.374 1.358 -0.246) 4.587 8.755 ( 4.374 1.358 -0.246) 4.587 10.693 ( -2.917 0.072 -2.428) 3.796 10.693 ( 2.917 0.072 -2.428) 3.796 11.472 ( -2.250 8.033 0.887) 8.389 11.472 ( 2.250 8.033 0.887) 8.389 11.719 ( -2.291 -1.205 8.191) 8.590 11.719 ( 2.291 -1.205 8.191) 8.590 12.418 ( -16.076 -11.992 -4.988) 20.667 12.418 ( 16.076 -11.992 -4.988) 20.668 13.219 ( -8.042 7.004 3.978) 11.382 13.219 ( 8.042 7.004 3.978) 11.382 13.525 ( -9.518 4.193 3.204) 10.883 13.525 ( 9.518 4.193 3.204) 10.883 13.902 ( -4.741 -5.676 -5.502) 9.217 13.902 ( 4.741 -5.676 -5.502) 9.217 14.501 ( -3.650 -0.326 -5.158) 6.327 14.501 ( 3.650 -0.326 -5.158) 6.327 18.151 ( -3.255 0.400 -2.237) 3.970 18.151 ( 3.255 0.400 -2.237) 3.970 ======================= Grid point 333 (116/120) ======================= q-point: ( 0.00 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.000 9.796 2.161) 10.031 2.597 ( 0.000 0.503 -0.985) 1.106 2.637 ( 0.000 2.293 -5.134) 5.623 2.843 ( 0.000 -13.496 -1.508) 13.580 3.628 ( 0.000 2.303 2.006) 3.054 3.641 ( 0.000 1.521 1.506) 2.141 4.080 ( 0.000 0.066 0.542) 0.546 4.090 ( 0.000 -1.376 -0.744) 1.564 4.268 ( 0.000 11.430 1.783) 11.568 4.543 ( 0.000 -15.367 4.285) 15.954 5.214 ( 0.000 6.685 0.018) 6.685 5.348 ( 0.000 -5.665 2.805) 6.322 5.445 ( 0.000 1.430 -5.038) 5.237 5.494 ( 0.000 -2.697 -4.647) 5.372 6.312 ( 0.000 10.044 6.364) 11.891 6.520 ( 0.000 -10.656 5.804) 12.135 6.958 ( 0.000 10.164 6.191) 11.901 7.133 ( 0.000 -7.182 6.886) 9.950 7.883 ( 0.000 7.890 3.029) 8.452 8.030 ( 0.000 -6.712 1.870) 6.968 8.042 ( 0.000 10.457 -6.779) 12.463 8.260 ( 0.000 -10.911 -3.741) 11.534 8.398 ( 0.000 3.436 1.426) 3.720 8.473 ( 0.000 -3.754 2.955) 4.777 10.624 ( 0.000 5.512 -2.680) 6.129 10.732 ( 0.000 -5.298 -3.916) 6.588 11.389 ( 0.000 3.966 9.164) 9.985 11.447 ( 0.000 -2.148 6.985) 7.308 11.592 ( 0.000 12.396 -1.055) 12.441 11.684 ( 0.000 8.536 -8.154) 11.805 11.703 ( 0.000 -1.612 -8.200) 8.357 11.991 ( 0.000 -18.675 1.482) 18.734 13.211 ( 0.000 6.390 1.998) 6.695 13.394 ( 0.000 -11.554 1.164) 11.613 13.848 ( 0.000 2.888 10.191) 10.592 13.858 ( 0.000 2.607 14.034) 14.274 14.105 ( 0.000 1.549 -9.650) 9.774 14.189 ( 0.000 -6.235 -7.488) 9.744 14.665 ( 0.000 2.820 -8.298) 8.765 14.701 ( 0.000 -0.639 -7.219) 7.247 18.154 ( 0.000 6.763 -1.356) 6.897 18.283 ( 0.000 -5.956 -1.567) 6.159 ======================= Grid point 334 (117/120) ======================= q-point: ( 0.12 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 2.711 7.341 1.248) 7.925 2.595 ( -0.111 1.052 -1.594) 1.913 2.629 ( -0.559 3.489 -4.379) 5.627 2.852 ( 0.937 -12.977 -0.792) 13.035 3.593 ( -1.519 2.455 1.177) 3.117 3.631 ( -1.037 -0.983 1.872) 2.355 4.135 ( 6.588 3.956 -0.475) 7.699 4.189 ( 4.505 1.848 4.259) 6.469 4.274 ( 2.086 5.263 -2.174) 6.064 4.497 ( -4.040 -13.801 3.437) 14.785 5.229 ( -1.289 6.004 4.932) 7.876 5.323 ( -6.451 -2.833 3.515) 7.874 5.380 ( -3.687 2.786 -7.364) 8.693 5.485 ( 4.380 -6.905 -5.982) 10.132 6.367 ( 4.677 9.772 6.051) 12.409 6.567 ( 3.735 -10.042 5.521) 12.053 6.830 ( -10.773 12.214 5.037) 17.047 7.046 ( -7.836 -9.184 6.033) 13.496 7.922 ( 2.544 7.162 0.048) 7.600 8.057 ( 2.570 -5.958 0.971) 6.561 8.157 ( 10.090 8.994 -2.311) 13.713 8.339 ( 5.532 -7.039 1.113) 9.022 8.406 ( 1.747 -0.084 -1.472) 2.287 8.447 ( -1.834 -2.597 1.334) 3.448 10.631 ( 0.683 5.220 -2.733) 5.932 10.733 ( 0.101 -4.944 -3.882) 6.287 11.366 ( -2.270 5.746 5.087) 8.003 11.398 ( 0.254 1.762 9.712) 9.874 11.641 ( -0.875 3.681 -6.453) 7.480 11.669 ( 3.353 0.952 -1.110) 3.658 11.860 ( 10.849 4.315 -6.070) 13.159 12.062 ( 6.220 -14.901 0.677) 16.161 13.210 ( 0.115 7.874 2.094) 8.148 13.416 ( 1.897 -12.173 1.708) 12.438 13.802 ( -4.253 3.212 10.953) 12.181 13.820 ( -3.596 1.873 12.250) 12.904 14.046 ( -5.696 0.761 -8.116) 9.944 14.111 ( -6.453 -5.304 -9.985) 13.018 14.620 ( -2.654 5.971 -7.742) 10.131 14.716 ( -0.404 -3.641 -6.670) 7.609 18.150 ( -0.368 6.270 -1.469) 6.451 18.269 ( -1.276 -5.509 -1.664) 5.894 ======================= Grid point 335 (118/120) ======================= q-point: ( 0.25 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -0.742 0.940 -2.211) 2.515 2.603 ( -1.108 -0.624 -3.182) 3.426 2.681 ( 5.136 8.764 -0.019) 10.158 2.878 ( 1.292 -10.513 -0.070) 10.592 3.596 ( 2.221 2.354 0.710) 3.314 3.646 ( 3.119 -2.689 1.363) 4.338 4.203 ( -0.885 6.259 4.389) 7.695 4.297 ( 6.699 2.440 1.651) 7.318 4.380 ( 5.152 -1.462 -2.519) 5.918 4.403 ( -3.637 -8.407 -0.141) 9.161 5.047 ( -13.785 2.030 3.906) 14.471 5.098 ( -11.724 -3.172 2.639) 12.428 5.461 ( 8.704 9.890 -5.675) 14.345 5.665 ( 11.521 -10.123 -1.832) 15.446 6.473 ( 4.673 8.358 5.825) 11.208 6.566 ( -13.300 14.452 2.961) 19.863 6.641 ( 2.497 -8.062 4.960) 9.790 6.834 ( -12.000 -11.816 4.492) 17.429 7.980 ( 3.304 7.212 -1.173) 8.019 8.121 ( 3.440 -6.696 0.260) 7.533 8.337 ( 1.067 1.946 5.279) 5.727 8.370 ( -1.531 -1.442 3.592) 4.162 8.453 ( 9.488 5.428 -4.559) 11.844 8.569 ( 9.538 -5.858 -2.732) 11.522 10.649 ( 0.962 4.237 -2.456) 4.991 10.732 ( -0.333 -3.892 -3.444) 5.208 11.386 ( 4.245 6.344 6.109) 9.777 11.440 ( 4.100 0.999 8.393) 9.394 11.648 ( 1.388 4.328 -2.241) 5.068 11.724 ( 2.008 -1.996 -2.237) 3.608 12.042 ( 5.018 2.984 -4.151) 7.163 12.223 ( 7.939 -14.246 -0.990) 16.338 13.225 ( 1.575 10.608 2.684) 11.055 13.463 ( 2.332 -12.365 3.748) 13.130 13.671 ( -7.926 4.526 10.063) 13.585 13.731 ( -4.226 -0.684 8.852) 9.833 13.876 ( -9.072 4.135 -8.105) 12.849 13.984 ( -5.449 -6.006 -10.869) 13.561 14.564 ( -2.855 5.772 -6.672) 9.273 14.667 ( -4.065 -4.484 -5.890) 8.445 18.142 ( -0.287 4.857 -1.759) 5.174 18.234 ( -1.997 -4.206 -1.907) 5.031 ======================= Grid point 336 (119/120) ======================= q-point: ( 0.38 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -0.532 0.548 -1.973) 2.116 2.579 ( -1.004 -0.295 -2.227) 2.460 2.789 ( 4.769 4.114 -0.753) 6.343 2.893 ( -0.106 -6.018 -0.351) 6.029 3.696 ( 6.996 2.385 0.480) 7.406 3.752 ( 6.121 -3.243 0.460) 6.942 4.192 ( 0.220 1.835 2.687) 3.261 4.281 ( -3.714 -6.963 3.002) 8.443 4.401 ( -1.753 2.725 -1.091) 3.419 4.451 ( -0.127 -2.109 -1.417) 2.544 4.783 ( -7.778 5.877 2.680) 10.110 4.890 ( -7.606 -4.550 1.972) 9.080 5.685 ( 12.388 13.169 -2.632) 18.271 5.937 ( 14.226 -11.747 0.559) 18.457 6.266 ( -14.377 15.780 1.157) 21.378 6.555 ( -11.849 -10.837 3.853) 16.513 6.573 ( 1.503 2.247 4.224) 5.015 6.667 ( -0.452 -4.967 4.454) 6.687 8.062 ( 4.447 6.217 -0.070) 7.644 8.186 ( 1.940 -5.787 2.115) 6.460 8.294 ( -2.131 1.764 0.259) 2.779 8.345 ( -1.399 -2.961 1.881) 3.777 8.668 ( 8.666 3.962 -1.520) 9.649 8.736 ( 5.578 -2.693 -1.352) 6.340 10.671 ( 1.116 2.428 -1.901) 3.279 10.718 ( -0.950 -2.177 -2.538) 3.476 11.514 ( 7.224 6.132 7.145) 11.868 11.577 ( 8.418 1.996 6.631) 10.900 11.682 ( 1.311 4.042 1.781) 4.608 11.745 ( -0.305 -0.058 -0.986) 1.034 12.085 ( 0.652 0.662 -5.163) 5.246 12.295 ( -2.546 -18.084 -2.492) 18.432 13.283 ( 4.100 11.632 4.045) 12.979 13.486 ( -1.692 -3.330 7.441) 8.326 13.536 ( -2.689 3.895 7.640) 8.988 13.651 ( -4.338 -4.645 7.942) 10.172 13.743 ( -1.815 4.776 -11.628) 12.701 13.879 ( -4.731 -7.180 -11.091) 14.034 14.507 ( -2.211 2.948 -5.808) 6.878 14.566 ( -4.924 -2.866 -5.442) 7.879 18.142 ( 0.342 2.733 -2.075) 3.448 18.192 ( -1.928 -2.195 -2.153) 3.629 ======================= Grid point 337 (120/120) ======================= q-point: (-0.50 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.268 0.032 -1.802) 1.822 2.565 ( 0.268 0.032 -1.802) 1.822 2.866 ( -2.530 -0.885 -0.795) 2.796 2.866 ( 2.530 -0.885 -0.795) 2.796 3.818 ( -2.024 -0.328 0.153) 2.056 3.818 ( 2.024 -0.328 0.153) 2.056 4.220 ( -2.292 -2.720 1.369) 3.811 4.220 ( 2.292 -2.720 1.369) 3.811 4.368 ( -2.314 -0.451 1.228) 2.658 4.368 ( 2.314 -0.451 1.228) 2.658 4.777 ( -3.831 1.308 1.149) 4.208 4.777 ( 3.831 1.308 1.149) 4.208 5.962 ( -13.921 15.125 0.073) 20.557 5.962 ( 13.921 15.125 0.073) 20.557 6.251 ( -14.917 -12.826 1.224) 19.711 6.251 ( 14.917 -12.826 1.224) 19.711 6.635 ( -2.430 -0.398 4.559) 5.181 6.635 ( 2.430 -0.398 4.559) 5.181 8.155 ( -4.045 2.834 1.998) 5.328 8.155 ( 4.045 2.834 1.998) 5.328 8.305 ( -2.212 -3.389 -0.188) 4.051 8.305 ( 2.212 -3.389 -0.188) 4.051 8.779 ( -1.657 0.775 -1.005) 2.087 8.779 ( 1.657 0.774 -1.005) 2.087 10.695 ( -1.209 0.079 -1.858) 2.218 10.695 ( 1.209 0.079 -1.858) 2.218 11.654 ( -5.030 6.224 6.802) 10.503 11.654 ( 5.030 6.224 6.803) 10.503 11.711 ( -3.217 2.718 2.166) 4.736 11.711 ( 3.217 2.718 2.166) 4.736 12.159 ( -7.373 -11.551 -5.229) 14.667 12.159 ( 7.373 -11.551 -5.229) 14.667 13.390 ( -5.748 9.039 5.807) 12.185 13.390 ( 5.748 9.040 5.807) 12.185 13.563 ( -3.420 -2.125 8.166) 9.104 13.563 ( 3.420 -2.125 8.166) 9.104 13.785 ( -4.149 -4.095 -12.181) 13.504 13.785 ( 4.149 -4.095 -12.181) 13.504 14.494 ( -1.461 -0.224 -5.350) 5.550 14.494 ( 1.461 -0.224 -5.350) 5.550 18.158 ( -1.235 0.245 -2.234) 2.564 18.158 ( 1.235 0.245 -2.234) 2.564 =================== 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 2495.470 2979.571 3508.971 0.000 0.000 0.000 3/25200 20.0 456.545 566.369 652.090 0.000 0.000 -0.000 3/25200 30.0 163.289 182.769 269.044 0.000 0.000 -0.000 3/25200 40.0 88.000 95.548 159.116 0.000 0.000 -0.000 3/25200 50.0 57.616 61.618 109.830 0.000 0.000 -0.000 3/25200 60.0 41.843 44.271 82.114 0.000 0.000 -0.000 3/25200 70.0 32.330 33.921 64.401 0.000 0.000 -0.000 3/25200 80.0 26.032 27.131 52.213 0.000 0.000 -0.000 3/25200 90.0 21.601 22.388 43.436 0.000 0.000 -0.000 3/25200 100.0 18.347 18.928 36.907 0.000 0.000 -0.000 3/25200 110.0 15.880 16.318 31.925 0.000 0.000 -0.000 3/25200 120.0 13.961 14.297 28.038 0.000 0.000 -0.000 3/25200 130.0 12.434 12.697 24.946 0.000 0.000 -0.000 3/25200 140.0 11.197 11.405 22.443 0.000 0.000 -0.000 3/25200 150.0 10.179 10.345 20.384 0.000 0.000 -0.000 3/25200 160.0 9.328 9.462 18.666 0.000 0.000 -0.000 3/25200 170.0 8.608 8.717 17.215 0.000 0.000 -0.000 3/25200 180.0 7.991 8.081 15.974 0.000 0.000 -0.000 3/25200 190.0 7.458 7.532 14.903 0.000 0.000 -0.000 3/25200 200.0 6.992 7.055 13.969 0.000 0.000 -0.000 3/25200 210.0 6.583 6.635 13.148 0.000 0.000 -0.000 3/25200 220.0 6.220 6.264 12.421 0.000 0.000 -0.000 3/25200 230.0 5.896 5.933 11.772 0.000 0.000 -0.000 3/25200 240.0 5.605 5.636 11.190 0.000 0.000 -0.000 3/25200 250.0 5.342 5.369 10.665 0.000 0.000 -0.000 3/25200 260.0 5.104 5.126 10.189 0.000 0.000 -0.000 3/25200 270.0 4.886 4.905 9.754 0.000 0.000 -0.000 3/25200 280.0 4.687 4.703 9.357 0.000 0.000 -0.000 3/25200 290.0 4.504 4.518 8.992 0.000 0.000 -0.000 3/25200 300.0 4.336 4.347 8.655 0.000 0.000 -0.000 3/25200 310.0 4.179 4.189 8.344 0.000 0.000 -0.000 3/25200 320.0 4.034 4.043 8.054 0.000 0.000 -0.000 3/25200 330.0 3.900 3.906 7.785 0.000 0.000 -0.000 3/25200 340.0 3.774 3.779 7.534 0.000 0.000 -0.000 3/25200 350.0 3.656 3.660 7.299 0.000 0.000 -0.000 3/25200 360.0 3.545 3.549 7.079 0.000 0.000 -0.000 3/25200 370.0 3.442 3.444 6.872 0.000 0.000 -0.000 3/25200 380.0 3.344 3.346 6.677 0.000 0.000 -0.000 3/25200 390.0 3.252 3.253 6.493 0.000 0.000 -0.000 3/25200 400.0 3.165 3.166 6.320 0.000 0.000 -0.000 3/25200 410.0 3.082 3.083 6.155 0.000 0.000 -0.000 3/25200 420.0 3.004 3.004 5.999 0.000 0.000 -0.000 3/25200 430.0 2.930 2.929 5.851 0.000 0.000 -0.000 3/25200 440.0 2.859 2.859 5.711 0.000 0.000 -0.000 3/25200 450.0 2.792 2.791 5.577 0.000 0.000 -0.000 3/25200 460.0 2.728 2.727 5.449 0.000 0.000 -0.000 3/25200 470.0 2.667 2.666 5.327 0.000 0.000 -0.000 3/25200 480.0 2.609 2.607 5.211 0.000 0.000 -0.000 3/25200 490.0 2.553 2.551 5.100 0.000 0.000 -0.000 3/25200 500.0 2.500 2.498 4.993 0.000 0.000 -0.000 3/25200 510.0 2.448 2.446 4.891 0.000 0.000 -0.000 3/25200 520.0 2.399 2.397 4.793 0.000 0.000 -0.000 3/25200 530.0 2.352 2.350 4.699 0.000 0.000 -0.000 3/25200 540.0 2.307 2.304 4.609 0.000 0.000 -0.000 3/25200 550.0 2.263 2.261 4.522 0.000 0.000 -0.000 3/25200 560.0 2.222 2.219 4.438 0.000 0.000 -0.000 3/25200 570.0 2.181 2.178 4.358 0.000 0.000 -0.000 3/25200 580.0 2.142 2.139 4.280 0.000 0.000 -0.000 3/25200 590.0 2.105 2.102 4.206 0.000 0.000 -0.000 3/25200 600.0 2.069 2.066 4.133 0.000 0.000 -0.000 3/25200 610.0 2.034 2.031 4.064 0.000 0.000 -0.000 3/25200 620.0 2.000 1.997 3.996 0.000 0.000 -0.000 3/25200 630.0 1.967 1.964 3.931 0.000 0.000 -0.000 3/25200 640.0 1.936 1.932 3.868 0.000 0.000 -0.000 3/25200 650.0 1.905 1.902 3.807 0.000 0.000 -0.000 3/25200 660.0 1.875 1.872 3.748 0.000 0.000 -0.000 3/25200 670.0 1.847 1.844 3.690 0.000 0.000 -0.000 3/25200 680.0 1.819 1.816 3.635 0.000 0.000 -0.000 3/25200 690.0 1.792 1.789 3.581 0.000 0.000 -0.000 3/25200 700.0 1.766 1.762 3.529 0.000 0.000 -0.000 3/25200 710.0 1.740 1.737 3.478 0.000 0.000 -0.000 3/25200 720.0 1.716 1.712 3.429 0.000 0.000 -0.000 3/25200 730.0 1.692 1.688 3.381 0.000 0.000 -0.000 3/25200 740.0 1.668 1.665 3.334 0.000 0.000 -0.000 3/25200 750.0 1.646 1.642 3.289 0.000 0.000 -0.000 3/25200 760.0 1.624 1.620 3.245 0.000 0.000 -0.000 3/25200 770.0 1.602 1.599 3.202 0.000 0.000 -0.000 3/25200 780.0 1.581 1.578 3.160 0.000 0.000 -0.000 3/25200 790.0 1.561 1.557 3.119 0.000 0.000 -0.000 3/25200 800.0 1.541 1.538 3.080 0.000 0.000 -0.000 3/25200 810.0 1.522 1.518 3.041 0.000 0.000 -0.000 3/25200 820.0 1.503 1.499 3.003 0.000 0.000 -0.000 3/25200 830.0 1.484 1.481 2.967 0.000 0.000 -0.000 3/25200 840.0 1.466 1.463 2.931 0.000 0.000 -0.000 3/25200 850.0 1.449 1.446 2.896 0.000 0.000 -0.000 3/25200 860.0 1.432 1.429 2.862 0.000 0.000 -0.000 3/25200 870.0 1.415 1.412 2.828 0.000 0.000 -0.000 3/25200 880.0 1.399 1.396 2.796 0.000 0.000 -0.000 3/25200 890.0 1.383 1.380 2.764 0.000 0.000 -0.000 3/25200 900.0 1.367 1.364 2.733 0.000 0.000 -0.000 3/25200 910.0 1.352 1.349 2.702 0.000 0.000 -0.000 3/25200 920.0 1.337 1.334 2.673 0.000 0.000 -0.000 3/25200 930.0 1.322 1.319 2.643 0.000 0.000 -0.000 3/25200 940.0 1.308 1.305 2.615 0.000 0.000 -0.000 3/25200 950.0 1.294 1.291 2.587 0.000 0.000 -0.000 3/25200 960.0 1.281 1.278 2.560 0.000 0.000 -0.000 3/25200 970.0 1.267 1.264 2.533 0.000 0.000 -0.000 3/25200 980.0 1.254 1.251 2.507 0.000 0.000 -0.000 3/25200 990.0 1.241 1.238 2.481 0.000 0.000 -0.000 3/25200 1000.0 1.229 1.226 2.456 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m8515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:44:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|