----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:55:49]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.813986590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.378838750000000 Atomic positions (fractional): *1 O 0.14067430509429 0.79752301975871 0.00000000000000 15.999 2 O 0.85932569490570 0.20247698024129 0.00000000000000 15.999 3 O 0.64067430509430 0.70247698024129 0.00000000000000 15.999 4 O 0.35932569490570 0.29752301975871 0.00000000000000 15.999 *5 O 0.25832270306427 0.54795127442520 0.50000000000000 15.999 6 O 0.74167729693573 0.45204872557480 0.50000000000000 15.999 7 O 0.24167729693573 0.04795127442520 0.50000000000000 15.999 8 O 0.75832270306427 0.95204872557480 0.50000000000000 15.999 *9 Ca 0.42714657189643 0.81812700852644 0.50000000000000 40.078 10 Ca 0.57285342810357 0.18187299147356 0.50000000000000 40.078 11 Ca 0.92714657189643 0.68187299147356 0.50000000000000 40.078 12 Ca 0.07285342810357 0.31812700852644 0.50000000000000 40.078 *13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.813986590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.378838750000000 Atomic positions (fractional): *1 O 0.14067430509429 0.79752301975871 0.00000000000000 15.999 > 1 2 O 0.85932569490570 0.20247698024129 0.00000000000000 15.999 > 2 3 O 0.64067430509430 0.70247698024129 0.00000000000000 15.999 > 3 4 O 0.35932569490570 0.29752301975871 0.00000000000000 15.999 > 4 *5 O 0.25832270306427 0.54795127442520 0.50000000000000 15.999 > 5 6 O 0.74167729693573 0.45204872557480 0.50000000000000 15.999 > 6 7 O 0.24167729693573 0.04795127442520 0.50000000000000 15.999 > 7 8 O 0.75832270306427 0.95204872557480 0.50000000000000 15.999 > 8 *9 Ca 0.42714657189643 0.81812700852644 0.50000000000000 40.078 > 9 10 Ca 0.57285342810357 0.18187299147356 0.50000000000000 40.078 > 10 11 Ca 0.92714657189643 0.68187299147356 0.50000000000000 40.078 > 11 12 Ca 0.07285342810357 0.31812700852644 0.50000000000000 40.078 > 12 *13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 13 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.627973180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.136516250000000 Atomic positions (fractional): *1 O 0.07033715254715 0.79752301975871 0.00000000000000 15.999 > 1 2 O 0.57033715254715 0.79752301975871 0.00000000000000 15.999 > 1 3 O 0.07033715254715 0.79752301975871 0.33333333333333 15.999 > 1 4 O 0.57033715254715 0.79752301975871 0.33333333333333 15.999 > 1 5 O 0.07033715254715 0.79752301975871 0.66666666666667 15.999 > 1 6 O 0.57033715254715 0.79752301975871 0.66666666666667 15.999 > 1 7 O 0.42966284745285 0.20247698024129 0.00000000000000 15.999 > 2 8 O 0.92966284745285 0.20247698024129 0.00000000000000 15.999 > 2 9 O 0.42966284745285 0.20247698024129 0.33333333333333 15.999 > 2 10 O 0.92966284745285 0.20247698024129 0.33333333333333 15.999 > 2 11 O 0.42966284745285 0.20247698024129 0.66666666666667 15.999 > 2 12 O 0.92966284745285 0.20247698024129 0.66666666666667 15.999 > 2 13 O 0.32033715254715 0.70247698024129 0.00000000000000 15.999 > 3 14 O 0.82033715254715 0.70247698024129 0.00000000000000 15.999 > 3 15 O 0.32033715254715 0.70247698024129 0.33333333333333 15.999 > 3 16 O 0.82033715254715 0.70247698024129 0.33333333333333 15.999 > 3 17 O 0.32033715254715 0.70247698024129 0.66666666666667 15.999 > 3 18 O 0.82033715254715 0.70247698024129 0.66666666666667 15.999 > 3 19 O 0.17966284745285 0.29752301975871 0.00000000000000 15.999 > 4 20 O 0.67966284745285 0.29752301975871 0.00000000000000 15.999 > 4 21 O 0.17966284745285 0.29752301975871 0.33333333333333 15.999 > 4 22 O 0.67966284745285 0.29752301975871 0.33333333333333 15.999 > 4 23 O 0.17966284745285 0.29752301975871 0.66666666666667 15.999 > 4 24 O 0.67966284745285 0.29752301975871 0.66666666666667 15.999 > 4 *25 O 0.12916135153213 0.54795127442520 0.16666666666667 15.999 > 5 26 O 0.62916135153213 0.54795127442520 0.16666666666667 15.999 > 5 27 O 0.12916135153213 0.54795127442520 0.50000000000000 15.999 > 5 28 O 0.62916135153213 0.54795127442520 0.50000000000000 15.999 > 5 29 O 0.12916135153213 0.54795127442520 0.83333333333333 15.999 > 5 30 O 0.62916135153213 0.54795127442520 0.83333333333333 15.999 > 5 31 O 0.37083864846787 0.45204872557480 0.16666666666667 15.999 > 6 32 O 0.87083864846787 0.45204872557480 0.16666666666667 15.999 > 6 33 O 0.37083864846787 0.45204872557480 0.50000000000000 15.999 > 6 34 O 0.87083864846787 0.45204872557480 0.50000000000000 15.999 > 6 35 O 0.37083864846787 0.45204872557480 0.83333333333333 15.999 > 6 36 O 0.87083864846787 0.45204872557480 0.83333333333333 15.999 > 6 37 O 0.12083864846787 0.04795127442520 0.16666666666667 15.999 > 7 38 O 0.62083864846787 0.04795127442520 0.16666666666667 15.999 > 7 39 O 0.12083864846787 0.04795127442520 0.50000000000000 15.999 > 7 40 O 0.62083864846787 0.04795127442520 0.50000000000000 15.999 > 7 41 O 0.12083864846787 0.04795127442520 0.83333333333333 15.999 > 7 42 O 0.62083864846787 0.04795127442520 0.83333333333333 15.999 > 7 43 O 0.37916135153213 0.95204872557480 0.16666666666667 15.999 > 8 44 O 0.87916135153213 0.95204872557480 0.16666666666667 15.999 > 8 45 O 0.37916135153213 0.95204872557480 0.50000000000000 15.999 > 8 46 O 0.87916135153213 0.95204872557480 0.50000000000000 15.999 > 8 47 O 0.37916135153213 0.95204872557480 0.83333333333333 15.999 > 8 48 O 0.87916135153213 0.95204872557480 0.83333333333333 15.999 > 8 *49 Ca 0.21357328594821 0.81812700852644 0.16666666666667 40.078 > 9 50 Ca 0.71357328594821 0.81812700852644 0.16666666666667 40.078 > 9 51 Ca 0.21357328594821 0.81812700852644 0.50000000000000 40.078 > 9 52 Ca 0.71357328594821 0.81812700852644 0.50000000000000 40.078 > 9 53 Ca 0.21357328594821 0.81812700852644 0.83333333333333 40.078 > 9 54 Ca 0.71357328594821 0.81812700852644 0.83333333333333 40.078 > 9 55 Ca 0.28642671405179 0.18187299147356 0.16666666666667 40.078 > 10 56 Ca 0.78642671405179 0.18187299147356 0.16666666666667 40.078 > 10 57 Ca 0.28642671405179 0.18187299147356 0.50000000000000 40.078 > 10 58 Ca 0.78642671405179 0.18187299147356 0.50000000000000 40.078 > 10 59 Ca 0.28642671405179 0.18187299147356 0.83333333333333 40.078 > 10 60 Ca 0.78642671405179 0.18187299147356 0.83333333333333 40.078 > 10 61 Ca 0.46357328594821 0.68187299147356 0.16666666666667 40.078 > 11 62 Ca 0.96357328594821 0.68187299147356 0.16666666666667 40.078 > 11 63 Ca 0.46357328594821 0.68187299147356 0.50000000000000 40.078 > 11 64 Ca 0.96357328594821 0.68187299147356 0.50000000000000 40.078 > 11 65 Ca 0.46357328594821 0.68187299147356 0.83333333333333 40.078 > 11 66 Ca 0.96357328594821 0.68187299147356 0.83333333333333 40.078 > 11 67 Ca 0.03642671405179 0.31812700852644 0.16666666666667 40.078 > 12 68 Ca 0.53642671405179 0.31812700852644 0.16666666666667 40.078 > 12 69 Ca 0.03642671405179 0.31812700852644 0.50000000000000 40.078 > 12 70 Ca 0.53642671405179 0.31812700852644 0.50000000000000 40.078 > 12 71 Ca 0.03642671405179 0.31812700852644 0.83333333333333 40.078 > 12 72 Ca 0.53642671405179 0.31812700852644 0.83333333333333 40.078 > 12 *73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 13 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 13 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 13 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 13 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 13 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 13 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 14 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 14 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 14 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 14 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 14 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6181059 0.0000000 0.0000000 0.0000000 4.8099020 0.0000000 0.0000000 0.0000000 4.9149490 -------------------------- Born effective charges -------------------------- 1 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 2 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 3 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 4 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 5 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 6 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 7 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 8 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 9 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 10 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 11 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 12 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 13 Pb 2.9573518 -0.0154846 0.0000000 -0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 14 Pb 2.9573518 0.0154846 0.0000000 0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.525 Solver_block: 200 / 240 - Time: 0.535 Solver_block: 240 / 240 - Time: 0.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.362 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 198 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 97 Use standard eigh solver. Tree of FC basis block matrices: - (752, 732), data: False |-- (97, 97), data: True |-- (97, 97), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (120, 116), data: True |-- (198, 190), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:55:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:55:59]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.813986590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.378838750000000 Atomic positions (fractional): 1 O 0.14067430509429 0.79752301975871 0.00000000000000 15.999 2 O 0.85932569490570 0.20247698024129 0.00000000000000 15.999 3 O 0.64067430509430 0.70247698024129 0.00000000000000 15.999 4 O 0.35932569490570 0.29752301975871 0.00000000000000 15.999 5 O 0.25832270306427 0.54795127442520 0.50000000000000 15.999 6 O 0.74167729693573 0.45204872557480 0.50000000000000 15.999 7 O 0.24167729693573 0.04795127442520 0.50000000000000 15.999 8 O 0.75832270306427 0.95204872557480 0.50000000000000 15.999 9 Ca 0.42714657189643 0.81812700852644 0.50000000000000 40.078 10 Ca 0.57285342810357 0.18187299147356 0.50000000000000 40.078 11 Ca 0.92714657189643 0.68187299147356 0.50000000000000 40.078 12 Ca 0.07285342810357 0.31812700852644 0.50000000000000 40.078 13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.627973180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.136516250000000 Atomic positions (fractional): 1 O 0.07033715254715 0.79752301975871 0.00000000000000 15.999 > 1 2 O 0.57033715254715 0.79752301975871 0.00000000000000 15.999 > 1 3 O 0.07033715254715 0.79752301975871 0.33333333333333 15.999 > 1 4 O 0.57033715254715 0.79752301975871 0.33333333333333 15.999 > 1 5 O 0.07033715254715 0.79752301975871 0.66666666666667 15.999 > 1 6 O 0.57033715254715 0.79752301975871 0.66666666666667 15.999 > 1 7 O 0.42966284745285 0.20247698024129 0.00000000000000 15.999 > 7 8 O 0.92966284745285 0.20247698024129 0.00000000000000 15.999 > 7 9 O 0.42966284745285 0.20247698024129 0.33333333333333 15.999 > 7 10 O 0.92966284745285 0.20247698024129 0.33333333333333 15.999 > 7 11 O 0.42966284745285 0.20247698024129 0.66666666666667 15.999 > 7 12 O 0.92966284745285 0.20247698024129 0.66666666666667 15.999 > 7 13 O 0.32033715254715 0.70247698024129 0.00000000000000 15.999 > 13 14 O 0.82033715254715 0.70247698024129 0.00000000000000 15.999 > 13 15 O 0.32033715254715 0.70247698024129 0.33333333333333 15.999 > 13 16 O 0.82033715254715 0.70247698024129 0.33333333333333 15.999 > 13 17 O 0.32033715254715 0.70247698024129 0.66666666666667 15.999 > 13 18 O 0.82033715254715 0.70247698024129 0.66666666666667 15.999 > 13 19 O 0.17966284745285 0.29752301975871 0.00000000000000 15.999 > 19 20 O 0.67966284745285 0.29752301975871 0.00000000000000 15.999 > 19 21 O 0.17966284745285 0.29752301975871 0.33333333333333 15.999 > 19 22 O 0.67966284745285 0.29752301975871 0.33333333333333 15.999 > 19 23 O 0.17966284745285 0.29752301975871 0.66666666666667 15.999 > 19 24 O 0.67966284745285 0.29752301975871 0.66666666666667 15.999 > 19 25 O 0.12916135153213 0.54795127442520 0.16666666666667 15.999 > 25 26 O 0.62916135153213 0.54795127442520 0.16666666666667 15.999 > 25 27 O 0.12916135153213 0.54795127442520 0.50000000000000 15.999 > 25 28 O 0.62916135153213 0.54795127442520 0.50000000000000 15.999 > 25 29 O 0.12916135153213 0.54795127442520 0.83333333333333 15.999 > 25 30 O 0.62916135153213 0.54795127442520 0.83333333333333 15.999 > 25 31 O 0.37083864846787 0.45204872557480 0.16666666666667 15.999 > 31 32 O 0.87083864846787 0.45204872557480 0.16666666666667 15.999 > 31 33 O 0.37083864846787 0.45204872557480 0.50000000000000 15.999 > 31 34 O 0.87083864846787 0.45204872557480 0.50000000000000 15.999 > 31 35 O 0.37083864846787 0.45204872557480 0.83333333333333 15.999 > 31 36 O 0.87083864846787 0.45204872557480 0.83333333333333 15.999 > 31 37 O 0.12083864846787 0.04795127442520 0.16666666666667 15.999 > 37 38 O 0.62083864846787 0.04795127442520 0.16666666666667 15.999 > 37 39 O 0.12083864846787 0.04795127442520 0.50000000000000 15.999 > 37 40 O 0.62083864846787 0.04795127442520 0.50000000000000 15.999 > 37 41 O 0.12083864846787 0.04795127442520 0.83333333333333 15.999 > 37 42 O 0.62083864846787 0.04795127442520 0.83333333333333 15.999 > 37 43 O 0.37916135153213 0.95204872557480 0.16666666666667 15.999 > 43 44 O 0.87916135153213 0.95204872557480 0.16666666666667 15.999 > 43 45 O 0.37916135153213 0.95204872557480 0.50000000000000 15.999 > 43 46 O 0.87916135153213 0.95204872557480 0.50000000000000 15.999 > 43 47 O 0.37916135153213 0.95204872557480 0.83333333333333 15.999 > 43 48 O 0.87916135153213 0.95204872557480 0.83333333333333 15.999 > 43 49 Ca 0.21357328594821 0.81812700852644 0.16666666666667 40.078 > 49 50 Ca 0.71357328594821 0.81812700852644 0.16666666666667 40.078 > 49 51 Ca 0.21357328594821 0.81812700852644 0.50000000000000 40.078 > 49 52 Ca 0.71357328594821 0.81812700852644 0.50000000000000 40.078 > 49 53 Ca 0.21357328594821 0.81812700852644 0.83333333333333 40.078 > 49 54 Ca 0.71357328594821 0.81812700852644 0.83333333333333 40.078 > 49 55 Ca 0.28642671405179 0.18187299147356 0.16666666666667 40.078 > 55 56 Ca 0.78642671405179 0.18187299147356 0.16666666666667 40.078 > 55 57 Ca 0.28642671405179 0.18187299147356 0.50000000000000 40.078 > 55 58 Ca 0.78642671405179 0.18187299147356 0.50000000000000 40.078 > 55 59 Ca 0.28642671405179 0.18187299147356 0.83333333333333 40.078 > 55 60 Ca 0.78642671405179 0.18187299147356 0.83333333333333 40.078 > 55 61 Ca 0.46357328594821 0.68187299147356 0.16666666666667 40.078 > 61 62 Ca 0.96357328594821 0.68187299147356 0.16666666666667 40.078 > 61 63 Ca 0.46357328594821 0.68187299147356 0.50000000000000 40.078 > 61 64 Ca 0.96357328594821 0.68187299147356 0.50000000000000 40.078 > 61 65 Ca 0.46357328594821 0.68187299147356 0.83333333333333 40.078 > 61 66 Ca 0.96357328594821 0.68187299147356 0.83333333333333 40.078 > 61 67 Ca 0.03642671405179 0.31812700852644 0.16666666666667 40.078 > 67 68 Ca 0.53642671405179 0.31812700852644 0.16666666666667 40.078 > 67 69 Ca 0.03642671405179 0.31812700852644 0.50000000000000 40.078 > 67 70 Ca 0.53642671405179 0.31812700852644 0.50000000000000 40.078 > 67 71 Ca 0.03642671405179 0.31812700852644 0.83333333333333 40.078 > 67 72 Ca 0.53642671405179 0.31812700852644 0.83333333333333 40.078 > 67 73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 73 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 73 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 73 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 79 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 79 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 79 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 79 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 79 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6181059 0.0000000 0.0000000 0.0000000 4.8099020 0.0000000 0.0000000 0.0000000 4.9149490 -------------------------- Born effective charges -------------------------- 1 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 2 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 3 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 4 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 5 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 6 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 7 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 8 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 9 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 10 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 11 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 12 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 13 Pb 2.9573518 -0.0154846 0.0000000 -0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 14 Pb 2.9573518 0.0154846 0.0000000 0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 ---------------------------------------------------------------------------- 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[ 25, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (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 04:56:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:56:08]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.813986590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.378838750000000 Atomic positions (fractional): 1 O 0.14067430509429 0.79752301975871 0.00000000000000 15.999 2 O 0.85932569490570 0.20247698024129 0.00000000000000 15.999 3 O 0.64067430509430 0.70247698024129 0.00000000000000 15.999 4 O 0.35932569490570 0.29752301975871 0.00000000000000 15.999 5 O 0.25832270306427 0.54795127442520 0.50000000000000 15.999 6 O 0.74167729693573 0.45204872557480 0.50000000000000 15.999 7 O 0.24167729693573 0.04795127442520 0.50000000000000 15.999 8 O 0.75832270306427 0.95204872557480 0.50000000000000 15.999 9 Ca 0.42714657189643 0.81812700852644 0.50000000000000 40.078 10 Ca 0.57285342810357 0.18187299147356 0.50000000000000 40.078 11 Ca 0.92714657189643 0.68187299147356 0.50000000000000 40.078 12 Ca 0.07285342810357 0.31812700852644 0.50000000000000 40.078 13 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 14 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.627973180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.735891470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.136516250000000 Atomic positions (fractional): 1 O 0.07033715254715 0.79752301975871 0.00000000000000 15.999 > 1 2 O 0.57033715254715 0.79752301975871 0.00000000000000 15.999 > 1 3 O 0.07033715254715 0.79752301975871 0.33333333333333 15.999 > 1 4 O 0.57033715254715 0.79752301975871 0.33333333333333 15.999 > 1 5 O 0.07033715254715 0.79752301975871 0.66666666666667 15.999 > 1 6 O 0.57033715254715 0.79752301975871 0.66666666666667 15.999 > 1 7 O 0.42966284745285 0.20247698024129 0.00000000000000 15.999 > 7 8 O 0.92966284745285 0.20247698024129 0.00000000000000 15.999 > 7 9 O 0.42966284745285 0.20247698024129 0.33333333333333 15.999 > 7 10 O 0.92966284745285 0.20247698024129 0.33333333333333 15.999 > 7 11 O 0.42966284745285 0.20247698024129 0.66666666666667 15.999 > 7 12 O 0.92966284745285 0.20247698024129 0.66666666666667 15.999 > 7 13 O 0.32033715254715 0.70247698024129 0.00000000000000 15.999 > 13 14 O 0.82033715254715 0.70247698024129 0.00000000000000 15.999 > 13 15 O 0.32033715254715 0.70247698024129 0.33333333333333 15.999 > 13 16 O 0.82033715254715 0.70247698024129 0.33333333333333 15.999 > 13 17 O 0.32033715254715 0.70247698024129 0.66666666666667 15.999 > 13 18 O 0.82033715254715 0.70247698024129 0.66666666666667 15.999 > 13 19 O 0.17966284745285 0.29752301975871 0.00000000000000 15.999 > 19 20 O 0.67966284745285 0.29752301975871 0.00000000000000 15.999 > 19 21 O 0.17966284745285 0.29752301975871 0.33333333333333 15.999 > 19 22 O 0.67966284745285 0.29752301975871 0.33333333333333 15.999 > 19 23 O 0.17966284745285 0.29752301975871 0.66666666666667 15.999 > 19 24 O 0.67966284745285 0.29752301975871 0.66666666666667 15.999 > 19 25 O 0.12916135153213 0.54795127442520 0.16666666666667 15.999 > 25 26 O 0.62916135153213 0.54795127442520 0.16666666666667 15.999 > 25 27 O 0.12916135153213 0.54795127442520 0.50000000000000 15.999 > 25 28 O 0.62916135153213 0.54795127442520 0.50000000000000 15.999 > 25 29 O 0.12916135153213 0.54795127442520 0.83333333333333 15.999 > 25 30 O 0.62916135153213 0.54795127442520 0.83333333333333 15.999 > 25 31 O 0.37083864846787 0.45204872557480 0.16666666666667 15.999 > 31 32 O 0.87083864846787 0.45204872557480 0.16666666666667 15.999 > 31 33 O 0.37083864846787 0.45204872557480 0.50000000000000 15.999 > 31 34 O 0.87083864846787 0.45204872557480 0.50000000000000 15.999 > 31 35 O 0.37083864846787 0.45204872557480 0.83333333333333 15.999 > 31 36 O 0.87083864846787 0.45204872557480 0.83333333333333 15.999 > 31 37 O 0.12083864846787 0.04795127442520 0.16666666666667 15.999 > 37 38 O 0.62083864846787 0.04795127442520 0.16666666666667 15.999 > 37 39 O 0.12083864846787 0.04795127442520 0.50000000000000 15.999 > 37 40 O 0.62083864846787 0.04795127442520 0.50000000000000 15.999 > 37 41 O 0.12083864846787 0.04795127442520 0.83333333333333 15.999 > 37 42 O 0.62083864846787 0.04795127442520 0.83333333333333 15.999 > 37 43 O 0.37916135153213 0.95204872557480 0.16666666666667 15.999 > 43 44 O 0.87916135153213 0.95204872557480 0.16666666666667 15.999 > 43 45 O 0.37916135153213 0.95204872557480 0.50000000000000 15.999 > 43 46 O 0.87916135153213 0.95204872557480 0.50000000000000 15.999 > 43 47 O 0.37916135153213 0.95204872557480 0.83333333333333 15.999 > 43 48 O 0.87916135153213 0.95204872557480 0.83333333333333 15.999 > 43 49 Ca 0.21357328594821 0.81812700852644 0.16666666666667 40.078 > 49 50 Ca 0.71357328594821 0.81812700852644 0.16666666666667 40.078 > 49 51 Ca 0.21357328594821 0.81812700852644 0.50000000000000 40.078 > 49 52 Ca 0.71357328594821 0.81812700852644 0.50000000000000 40.078 > 49 53 Ca 0.21357328594821 0.81812700852644 0.83333333333333 40.078 > 49 54 Ca 0.71357328594821 0.81812700852644 0.83333333333333 40.078 > 49 55 Ca 0.28642671405179 0.18187299147356 0.16666666666667 40.078 > 55 56 Ca 0.78642671405179 0.18187299147356 0.16666666666667 40.078 > 55 57 Ca 0.28642671405179 0.18187299147356 0.50000000000000 40.078 > 55 58 Ca 0.78642671405179 0.18187299147356 0.50000000000000 40.078 > 55 59 Ca 0.28642671405179 0.18187299147356 0.83333333333333 40.078 > 55 60 Ca 0.78642671405179 0.18187299147356 0.83333333333333 40.078 > 55 61 Ca 0.46357328594821 0.68187299147356 0.16666666666667 40.078 > 61 62 Ca 0.96357328594821 0.68187299147356 0.16666666666667 40.078 > 61 63 Ca 0.46357328594821 0.68187299147356 0.50000000000000 40.078 > 61 64 Ca 0.96357328594821 0.68187299147356 0.50000000000000 40.078 > 61 65 Ca 0.46357328594821 0.68187299147356 0.83333333333333 40.078 > 61 66 Ca 0.96357328594821 0.68187299147356 0.83333333333333 40.078 > 61 67 Ca 0.03642671405179 0.31812700852644 0.16666666666667 40.078 > 67 68 Ca 0.53642671405179 0.31812700852644 0.16666666666667 40.078 > 67 69 Ca 0.03642671405179 0.31812700852644 0.50000000000000 40.078 > 67 70 Ca 0.53642671405179 0.31812700852644 0.50000000000000 40.078 > 67 71 Ca 0.03642671405179 0.31812700852644 0.83333333333333 40.078 > 67 72 Ca 0.53642671405179 0.31812700852644 0.83333333333333 40.078 > 67 73 Pb 0.25000000000000 0.50000000000000 0.00000000000000 207.200 > 73 74 Pb 0.75000000000000 0.50000000000000 0.00000000000000 207.200 > 73 75 Pb 0.25000000000000 0.50000000000000 0.33333333333333 207.200 > 73 76 Pb 0.75000000000000 0.50000000000000 0.33333333333333 207.200 > 73 77 Pb 0.25000000000000 0.50000000000000 0.66666666666667 207.200 > 73 78 Pb 0.75000000000000 0.50000000000000 0.66666666666667 207.200 > 73 79 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 79 80 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 79 81 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 79 82 Pb 0.50000000000000 0.00000000000000 0.33333333333333 207.200 > 79 83 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 79 84 Pb 0.50000000000000 0.00000000000000 0.66666666666667 207.200 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6181059 0.0000000 0.0000000 0.0000000 4.8099020 0.0000000 0.0000000 0.0000000 4.9149490 -------------------------- Born effective charges -------------------------- 1 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 2 O -1.9610253 0.0646399 0.0000000 0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 3 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 4 O -1.9610253 -0.0646399 0.0000000 -0.0898441 -2.1714711 0.0000000 0.0000000 0.0000000 -2.1396447 5 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 6 O -2.3130514 0.2877856 0.0000000 0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 7 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 8 O -2.3130514 -0.2877856 0.0000000 -0.3199108 -1.9329365 0.0000000 0.0000000 0.0000000 -2.4759658 9 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 10 Ca 2.7954008 -0.0678515 0.0000000 -0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 11 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 12 Ca 2.7954008 0.0678515 0.0000000 0.5158661 2.3154645 0.0000000 0.0000000 0.0000000 2.1748788 13 Pb 2.9573518 -0.0154846 0.0000000 -0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 14 Pb 2.9573518 0.0154846 0.0000000 0.1303281 3.5778862 0.0000000 0.0000000 0.0000000 4.8814634 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 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: 0.72, Number of G-points: 311, Lambda: 0.16 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-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 2.277 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.361 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.017 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 12.320 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 14.713 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 15.712 ( 0.000 0.000 0.000) 0.000 15.837 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 25.383 0.000 0.000) 25.383 0.597 ( 30.686 0.000 0.000) 30.686 1.160 ( 58.264 0.000 0.000) 58.264 2.261 ( -1.731 0.000 0.000) 1.731 2.498 ( 2.633 0.000 0.000) 2.633 3.159 ( -8.577 0.000 0.000) 8.577 3.737 ( 5.146 0.000 0.000) 5.146 3.759 ( -22.929 0.000 0.000) 22.929 3.881 ( 2.265 0.000 0.000) 2.265 4.959 ( 31.932 0.000 0.000) 31.932 5.073 ( -4.298 0.000 0.000) 4.298 5.133 ( -5.474 0.000 0.000) 5.474 5.615 ( -11.984 0.000 0.000) 11.984 5.767 ( -8.684 0.000 0.000) 8.684 6.156 ( -13.476 0.000 0.000) 13.476 6.596 ( 3.730 0.000 0.000) 3.730 7.308 ( 1.662 0.000 0.000) 1.662 7.510 ( 9.409 0.000 0.000) 9.409 7.523 ( 14.320 0.000 0.000) 14.320 8.583 ( -0.907 0.000 0.000) 0.907 8.919 ( 0.426 0.000 0.000) 0.426 9.119 ( 6.076 0.000 0.000) 6.076 9.137 ( -7.570 0.000 0.000) 7.570 9.261 ( -0.092 0.000 0.000) 0.092 9.292 ( -8.984 0.000 0.000) 8.984 9.855 ( -1.105 0.000 0.000) 1.105 9.883 ( -13.501 0.000 0.000) 13.501 10.107 ( 10.799 0.000 0.000) 10.799 10.155 ( -1.352 0.000 0.000) 1.352 10.564 ( 1.454 0.000 0.000) 1.454 10.863 ( -0.747 0.000 0.000) 0.747 11.296 ( 0.953 0.000 0.000) 0.953 11.355 ( 0.523 0.000 0.000) 0.523 12.360 ( 4.120 0.000 0.000) 4.120 12.609 ( -16.452 0.000 0.000) 16.452 13.060 ( 4.052 0.000 0.000) 4.052 14.682 ( 1.731 0.000 0.000) 1.731 14.998 ( 13.477 0.000 0.000) 13.477 15.656 ( -4.137 0.000 0.000) 4.137 15.834 ( 1.967 0.000 0.000) 1.967 16.163 ( -0.867 0.000 0.000) 0.867 16.548 ( -1.625 0.000 0.000) 1.625 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 23.219 0.000 0.000) 23.219 1.161 ( 28.074 0.000 0.000) 28.074 2.143 ( 40.446 0.000 0.000) 40.446 2.209 ( -3.824 0.000 0.000) 3.824 2.564 ( 4.166 0.000 0.000) 4.166 2.988 ( -7.867 0.000 0.000) 7.867 3.465 ( -5.030 0.000 0.000) 5.030 3.877 ( 9.247 0.000 0.000) 9.247 3.949 ( 4.980 0.000 0.000) 4.980 4.952 ( -8.403 0.000 0.000) 8.403 4.984 ( -9.656 0.000 0.000) 9.656 5.130 ( -12.138 0.000 0.000) 12.138 5.531 ( -17.223 0.000 0.000) 17.223 5.803 ( 31.041 0.000 0.000) 31.041 5.839 ( -16.659 0.000 0.000) 16.659 6.672 ( 4.679 0.000 0.000) 4.679 7.352 ( 1.336 0.000 0.000) 1.336 7.685 ( 7.906 0.000 0.000) 7.906 7.847 ( 18.054 0.000 0.000) 18.054 8.582 ( 1.121 0.000 0.000) 1.121 8.919 ( -0.680 0.000 0.000) 0.680 8.985 ( -7.544 0.000 0.000) 7.544 9.067 ( -13.585 0.000 0.000) 13.585 9.254 ( 7.152 0.000 0.000) 7.152 9.266 ( 0.906 0.000 0.000) 0.906 9.537 ( -21.379 0.000 0.000) 21.379 9.832 ( -0.997 0.000 0.000) 0.997 10.117 ( -2.648 0.000 0.000) 2.648 10.346 ( 13.315 0.000 0.000) 13.315 10.602 ( 2.405 0.000 0.000) 2.405 10.841 ( -1.486 0.000 0.000) 1.486 11.291 ( -2.200 0.000 0.000) 2.200 11.367 ( 0.855 0.000 0.000) 0.855 12.284 ( -17.140 0.000 0.000) 17.140 12.471 ( 7.216 0.000 0.000) 7.216 13.062 ( -3.021 0.000 0.000) 3.021 14.808 ( 10.735 0.000 0.000) 10.735 15.271 ( 14.303 0.000 0.000) 14.303 15.584 ( -3.143 0.000 0.000) 3.143 15.848 ( -0.730 0.000 0.000) 0.730 16.140 ( -1.404 0.000 0.000) 1.404 16.498 ( -3.639 0.000 0.000) 3.639 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 19.630 0.000 0.000) 19.630 1.654 ( 22.982 0.000 0.000) 22.982 2.110 ( -6.653 0.000 0.000) 6.653 2.500 ( -2.666 0.000 0.000) 2.666 2.660 ( 6.175 0.000 0.000) 6.175 2.914 ( 1.121 0.000 0.000) 1.121 3.674 ( 22.962 0.000 0.000) 22.962 4.067 ( 8.904 0.000 0.000) 8.904 4.088 ( 11.080 0.000 0.000) 11.080 4.746 ( -12.696 0.000 0.000) 12.696 4.787 ( -10.860 0.000 0.000) 10.860 4.948 ( -2.513 0.000 0.000) 2.513 5.090 ( -27.198 0.000 0.000) 27.198 5.586 ( -10.839 0.000 0.000) 10.839 6.392 ( 27.290 0.000 0.000) 27.290 6.814 ( 11.797 0.000 0.000) 11.797 7.314 ( -5.987 0.000 0.000) 5.987 7.750 ( -3.053 0.000 0.000) 3.053 8.176 ( 15.936 0.000 0.000) 15.936 8.629 ( 3.596 0.000 0.000) 3.596 8.825 ( -10.088 0.000 0.000) 10.088 8.864 ( -4.929 0.000 0.000) 4.929 8.884 ( -3.053 0.000 0.000) 3.053 9.123 ( -20.399 0.000 0.000) 20.399 9.300 ( 2.529 0.000 0.000) 2.529 9.365 ( 3.870 0.000 0.000) 3.870 9.831 ( 1.307 0.000 0.000) 1.307 10.055 ( -3.835 0.000 0.000) 3.835 10.597 ( 12.685 0.000 0.000) 12.685 10.653 ( 2.817 0.000 0.000) 2.817 10.806 ( -2.150 0.000 0.000) 2.150 11.200 ( -7.186 0.000 0.000) 7.186 11.398 ( 2.803 0.000 0.000) 2.803 11.966 ( -15.836 0.000 0.000) 15.836 12.620 ( 7.960 0.000 0.000) 7.960 12.979 ( -5.028 0.000 0.000) 5.028 15.054 ( 14.030 0.000 0.000) 14.030 15.517 ( 10.631 0.000 0.000) 10.631 15.538 ( -1.955 0.000 0.000) 1.955 15.804 ( -3.726 0.000 0.000) 3.726 16.122 ( 0.118 0.000 0.000) 0.118 16.408 ( -5.745 0.000 0.000) 5.745 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 15.069 0.000 0.000) 15.069 1.948 ( -10.469 0.000 0.000) 10.469 2.030 ( 16.565 0.000 0.000) 16.565 2.309 ( -13.162 0.000 0.000) 13.162 2.803 ( 8.193 0.000 0.000) 8.193 2.922 ( -2.808 0.000 0.000) 2.808 4.106 ( 21.632 0.000 0.000) 21.632 4.256 ( 11.282 0.000 0.000) 11.282 4.323 ( 12.789 0.000 0.000) 12.789 4.493 ( -13.211 0.000 0.000) 13.211 4.562 ( -26.536 0.000 0.000) 26.536 4.565 ( -12.321 0.000 0.000) 12.321 5.086 ( 14.509 0.000 0.000) 14.509 5.368 ( -13.079 0.000 0.000) 13.079 6.801 ( 17.447 0.000 0.000) 17.447 7.114 ( -14.534 0.000 0.000) 14.534 7.155 ( 21.705 0.000 0.000) 21.705 7.543 ( -17.295 0.000 0.000) 17.295 8.454 ( 13.420 0.000 0.000) 13.420 8.684 ( -8.499 0.000 0.000) 8.499 8.712 ( 4.942 0.000 0.000) 4.942 8.797 ( -2.093 0.000 0.000) 2.093 8.808 ( -4.743 0.000 0.000) 4.743 8.820 ( -8.124 0.000 0.000) 8.124 9.354 ( 2.831 0.000 0.000) 2.831 9.393 ( -0.727 0.000 0.000) 0.727 9.886 ( 4.124 0.000 0.000) 4.124 9.973 ( -4.652 0.000 0.000) 4.652 10.707 ( 2.862 0.000 0.000) 2.862 10.760 ( -2.632 0.000 0.000) 2.632 10.826 ( 11.320 0.000 0.000) 11.320 11.031 ( -10.037 0.000 0.000) 10.037 11.493 ( 7.585 0.000 0.000) 7.585 11.690 ( -12.727 0.000 0.000) 12.727 12.763 ( 6.790 0.000 0.000) 6.790 12.879 ( -5.518 0.000 0.000) 5.518 15.310 ( 11.921 0.000 0.000) 11.921 15.480 ( -5.365 0.000 0.000) 5.365 15.659 ( 4.394 0.000 0.000) 4.394 15.725 ( -3.787 0.000 0.000) 3.787 16.166 ( 4.738 0.000 0.000) 4.738 16.284 ( -6.857 0.000 0.000) 6.857 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 30.237 0.000) 30.237 0.671 ( 0.000 31.803 0.000) 31.803 1.026 ( 0.000 48.620 0.000) 48.620 2.150 ( 0.000 -12.088 0.000) 12.088 2.364 ( 0.000 -21.323 0.000) 21.323 3.142 ( 0.000 -10.763 0.000) 10.763 3.713 ( 0.000 2.285 0.000) 2.285 3.849 ( 0.000 -1.019 0.000) 1.019 4.303 ( 0.000 3.961 0.000) 3.961 4.477 ( 0.000 20.266 0.000) 20.266 5.121 ( 0.000 0.622 0.000) 0.622 5.179 ( 0.000 -0.668 0.000) 0.668 5.483 ( 0.000 -22.089 0.000) 22.089 5.978 ( 0.000 -19.622 0.000) 19.622 6.525 ( 0.000 13.750 0.000) 13.750 6.620 ( 0.000 11.891 0.000) 11.891 7.318 ( 0.000 -4.856 0.000) 4.856 7.329 ( 0.000 -3.949 0.000) 3.949 8.606 ( 0.000 0.985 0.000) 0.985 8.823 ( 0.000 -5.829 0.000) 5.829 8.912 ( 0.000 3.307 0.000) 3.307 9.148 ( 0.000 6.075 0.000) 6.075 9.162 ( 0.000 -2.932 0.000) 2.932 9.280 ( 0.000 1.417 0.000) 1.417 9.400 ( 0.000 5.699 0.000) 5.699 9.502 ( 0.000 8.637 0.000) 8.637 9.866 ( 0.000 0.215 0.000) 0.215 9.916 ( 0.000 -6.017 0.000) 6.017 9.997 ( 0.000 -2.938 0.000) 2.938 10.098 ( 0.000 -5.765 0.000) 5.765 10.608 ( 0.000 4.718 0.000) 4.718 10.851 ( 0.000 -1.786 0.000) 1.786 12.295 ( 0.000 -1.049 0.000) 1.049 12.522 ( 0.000 -4.970 0.000) 4.970 12.911 ( 0.000 3.664 0.000) 3.664 13.034 ( 0.000 6.333 0.000) 6.333 13.289 ( 0.000 7.529 0.000) 7.529 14.523 ( 0.000 -16.920 0.000) 16.920 15.724 ( 0.000 1.122 0.000) 1.122 15.826 ( 0.000 -1.079 0.000) 1.079 16.256 ( 0.000 7.085 0.000) 7.085 16.594 ( 0.000 -1.942 0.000) 1.942 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.959 24.792 0.000) 28.452 0.848 ( 21.020 20.498 0.000) 29.359 1.527 ( 41.403 30.610 0.000) 51.490 2.144 ( -0.702 -11.149 0.000) 11.172 2.346 ( 0.154 -18.127 0.000) 18.127 3.101 ( -3.837 -5.833 0.000) 6.982 3.758 ( 4.642 1.846 0.000) 4.995 3.866 ( -22.257 13.260 0.000) 25.908 3.872 ( 2.412 -0.877 0.000) 2.567 4.943 ( 21.343 1.287 0.000) 21.381 5.078 ( -4.401 0.525 0.000) 4.433 5.127 ( -5.352 -0.557 0.000) 5.381 5.262 ( -9.969 -19.033 0.000) 21.486 6.057 ( -8.433 -14.337 0.000) 16.633 6.353 ( -8.829 18.867 0.000) 20.830 6.652 ( 2.906 16.343 0.000) 16.599 7.267 ( -1.059 -8.012 0.000) 8.082 7.307 ( 0.244 -2.847 0.000) 2.857 8.175 ( -9.473 33.779 0.000) 35.082 8.597 ( -0.541 1.400 0.000) 1.501 8.839 ( 1.335 -5.692 0.000) 5.847 9.122 ( -8.985 -1.841 0.000) 9.172 9.193 ( 4.308 5.008 0.000) 6.605 9.280 ( 0.015 1.605 0.000) 1.606 9.364 ( -8.932 6.209 0.000) 10.878 9.827 ( -12.414 -5.260 0.000) 13.482 9.857 ( -0.864 0.440 0.000) 0.970 10.068 ( 11.505 -3.837 0.000) 12.128 10.092 ( -0.648 -5.304 0.000) 5.343 10.382 ( 32.637 -31.192 0.000) 45.146 10.616 ( 0.801 4.274 0.000) 4.348 10.845 ( -0.675 -1.719 0.000) 1.846 12.091 ( -17.798 21.224 0.000) 27.699 12.339 ( 2.153 -0.951 0.000) 2.354 12.693 ( -13.738 7.061 0.000) 15.446 13.161 ( 3.606 7.952 0.000) 8.732 14.027 ( 35.740 -35.107 0.000) 50.098 14.666 ( 14.270 -19.161 0.000) 23.891 15.693 ( -1.768 2.680 0.000) 3.211 15.837 ( 0.713 -1.015 0.000) 1.241 16.245 ( -1.210 7.061 0.000) 7.164 16.571 ( -2.073 -0.572 0.000) 2.150 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 17.664 15.232 0.000) 23.324 1.306 ( 25.083 12.678 0.000) 28.105 2.118 ( -2.147 -8.674 0.000) 8.935 2.304 ( 33.608 14.238 0.000) 36.499 2.403 ( 6.215 -14.626 0.000) 15.891 3.023 ( -3.721 2.043 0.000) 4.245 3.558 ( -7.824 10.711 0.000) 13.264 3.886 ( 8.605 0.832 0.000) 8.646 3.944 ( 5.228 -0.491 0.000) 5.251 4.835 ( -16.652 -21.481 0.000) 27.180 4.955 ( -8.507 0.298 0.000) 8.512 4.981 ( -9.520 -0.285 0.000) 9.524 5.477 ( 10.738 -7.112 0.000) 12.880 5.750 ( -15.555 1.676 0.000) 15.645 6.249 ( 2.557 21.651 0.000) 21.801 6.752 ( 5.191 10.237 0.000) 11.477 7.291 ( 1.916 -7.467 0.000) 7.709 7.428 ( 10.588 -11.134 0.000) 15.365 8.220 ( 6.325 21.833 0.000) 22.731 8.602 ( 1.238 1.871 0.000) 2.244 8.860 ( 0.491 -4.879 0.000) 4.904 8.940 ( -9.167 -2.905 0.000) 9.616 9.147 ( -12.531 5.715 0.000) 13.773 9.282 ( 1.502 1.534 0.000) 2.147 9.294 ( 4.435 2.739 0.000) 5.213 9.499 ( -20.114 -3.609 0.000) 20.436 9.841 ( -0.531 1.087 0.000) 1.210 10.071 ( -1.550 -4.017 0.000) 4.305 10.315 ( 13.511 -2.547 0.000) 13.749 10.638 ( 1.476 3.124 0.000) 3.455 10.762 ( 11.629 -24.083 0.000) 26.744 10.826 ( -1.334 -1.509 0.000) 2.014 11.834 ( -11.260 18.684 0.000) 21.815 12.251 ( -13.659 -2.351 0.000) 13.860 12.588 ( 4.914 10.808 0.000) 11.873 13.162 ( -2.657 7.910 0.000) 8.345 14.499 ( 18.864 -23.305 0.000) 29.983 14.953 ( 12.700 -22.564 0.000) 25.892 15.693 ( 2.076 5.297 0.000) 5.689 15.853 ( 1.346 -0.319 0.000) 1.383 16.205 ( -3.155 6.457 0.000) 7.187 16.517 ( -3.759 0.240 0.000) 3.766 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 16.089 8.271 0.000) 18.090 1.766 ( 22.388 9.999 0.000) 24.520 2.055 ( -4.658 -5.319 0.000) 7.071 2.527 ( 3.629 -5.855 0.000) 6.889 2.657 ( 5.837 7.736 0.000) 9.691 2.974 ( -0.880 4.982 0.000) 5.059 3.651 ( 14.352 -0.609 0.000) 14.365 4.068 ( 9.028 0.121 0.000) 9.028 4.085 ( 10.760 -0.259 0.000) 10.764 4.526 ( -15.318 -24.992 0.000) 29.313 4.750 ( -12.508 0.406 0.000) 12.515 4.784 ( -11.026 -0.348 0.000) 11.031 5.367 ( -9.964 11.143 0.000) 14.948 5.608 ( -4.659 1.096 0.000) 4.786 6.524 ( 19.776 11.850 0.000) 23.055 6.867 ( 9.376 5.577 0.000) 10.909 7.272 ( -4.754 -4.061 0.000) 6.252 7.638 ( 9.089 -10.348 0.000) 13.772 8.256 ( -4.127 7.660 0.000) 8.701 8.646 ( 3.298 1.692 0.000) 3.707 8.793 ( -7.718 -4.788 0.000) 9.083 8.850 ( -1.663 -3.091 0.000) 3.510 8.930 ( -8.272 7.051 0.000) 10.869 9.149 ( -13.400 1.865 0.000) 13.529 9.307 ( 1.848 0.853 0.000) 2.035 9.372 ( 2.558 0.281 0.000) 2.573 9.849 ( 1.569 1.747 0.000) 2.349 10.031 ( -2.646 -2.187 0.000) 3.433 10.566 ( 12.474 -2.460 0.000) 12.715 10.671 ( 1.963 1.705 0.000) 2.599 10.795 ( -1.893 -1.128 0.000) 2.203 10.908 ( 4.335 -16.476 0.000) 17.037 11.638 ( -8.575 11.982 0.000) 14.735 11.954 ( -15.622 -1.259 0.000) 15.673 12.734 ( 8.429 10.947 0.000) 13.816 13.090 ( -4.457 9.100 0.000) 10.133 14.821 ( 14.744 -18.248 0.000) 23.460 15.115 ( 4.544 -22.007 0.000) 22.471 15.756 ( 3.612 6.436 0.000) 7.381 15.912 ( 4.874 5.180 0.000) 7.112 16.128 ( -4.238 3.364 0.000) 5.411 16.425 ( -5.917 0.419 0.000) 5.932 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 12.363 2.947 0.000) 12.710 1.933 ( -8.203 -1.466 0.000) 8.333 2.142 ( 16.747 9.780 0.000) 19.394 2.413 ( -11.717 8.162 0.000) 14.280 2.815 ( 9.476 2.077 0.000) 9.701 2.950 ( -3.592 3.262 0.000) 4.852 3.919 ( 13.722 -15.261 0.000) 20.524 4.220 ( -17.057 -24.170 0.000) 29.583 4.261 ( 11.345 0.428 0.000) 11.353 4.314 ( 12.417 -0.816 0.000) 12.444 4.501 ( -12.910 0.743 0.000) 12.931 4.559 ( -12.345 -0.586 0.000) 12.359 5.344 ( 6.676 16.043 0.000) 17.377 5.498 ( -7.270 9.593 0.000) 12.036 6.823 ( 12.699 1.902 0.000) 12.841 7.048 ( -6.957 -4.090 0.000) 8.070 7.245 ( 16.965 6.920 0.000) 18.322 7.613 ( -14.347 5.698 0.000) 15.437 8.243 ( 8.510 -13.417 0.000) 15.888 8.518 ( -17.358 -12.182 0.000) 21.206 8.720 ( 4.228 0.750 0.000) 4.294 8.798 ( -3.610 -0.930 0.000) 3.728 8.925 ( 3.951 10.770 0.000) 11.471 9.003 ( -4.315 8.731 0.000) 9.739 9.350 ( 2.350 -0.263 0.000) 2.365 9.385 ( -0.938 -0.740 0.000) 1.195 9.900 ( 3.542 1.318 0.000) 3.779 9.971 ( -3.598 -0.236 0.000) 3.606 10.712 ( 2.230 0.429 0.000) 2.271 10.755 ( -2.218 -0.511 0.000) 2.276 10.783 ( 9.838 -3.597 0.000) 10.475 10.919 ( -3.626 -8.502 0.000) 9.243 11.557 ( 1.335 4.441 0.000) 4.637 11.688 ( -11.378 -0.242 0.000) 11.381 12.882 ( 6.886 10.856 0.000) 12.856 12.997 ( -5.279 10.214 0.000) 11.497 15.046 ( 8.470 -19.057 0.000) 20.855 15.141 ( -1.656 -20.877 0.000) 20.943 15.833 ( 4.931 8.677 0.000) 9.980 15.936 ( -4.475 12.480 0.000) 13.258 16.138 ( 6.805 -2.374 0.000) 7.207 16.291 ( -7.936 -0.055 0.000) 7.936 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 29.841 0.000) 29.841 1.289 ( 0.000 27.912 0.000) 27.912 1.800 ( 0.000 -21.430 0.000) 21.430 1.836 ( 0.000 -25.835 0.000) 25.835 1.974 ( 0.000 40.003 0.000) 40.003 2.723 ( 0.000 -29.759 0.000) 29.759 3.768 ( 0.000 2.730 0.000) 2.730 3.818 ( 0.000 -2.024 0.000) 2.024 4.523 ( 0.000 17.092 0.000) 17.092 4.879 ( 0.000 -0.028 0.000) 0.028 5.083 ( 0.000 1.867 0.000) 1.867 5.138 ( 0.000 1.027 0.000) 1.027 5.160 ( 0.000 -1.056 0.000) 1.056 5.524 ( 0.000 -24.161 0.000) 24.161 6.770 ( 0.000 8.787 0.000) 8.787 6.813 ( 0.000 5.347 0.000) 5.347 7.212 ( 0.000 -3.816 0.000) 3.816 7.230 ( 0.000 -4.702 0.000) 4.702 8.642 ( 0.000 2.568 0.000) 2.568 8.715 ( 0.000 -4.509 0.000) 4.509 8.997 ( 0.000 4.606 0.000) 4.606 9.088 ( 0.000 -4.131 0.000) 4.131 9.256 ( 0.000 3.956 0.000) 3.956 9.299 ( 0.000 -0.204 0.000) 0.204 9.564 ( 0.000 9.388 0.000) 9.388 9.701 ( 0.000 10.048 0.000) 10.048 9.758 ( 0.000 -9.000 0.000) 9.000 9.888 ( 0.000 -7.573 0.000) 7.573 9.890 ( 0.000 2.446 0.000) 2.446 9.974 ( 0.000 -5.569 0.000) 5.569 10.711 ( 0.000 4.812 0.000) 4.812 10.797 ( 0.000 -3.482 0.000) 3.482 12.314 ( 0.000 3.016 0.000) 3.016 12.407 ( 0.000 -5.591 0.000) 5.591 12.993 ( 0.000 3.963 0.000) 3.963 13.061 ( 0.000 -2.199 0.000) 2.199 13.615 ( 0.000 21.597 0.000) 21.597 14.092 ( 0.000 -23.482 0.000) 23.482 15.756 ( 0.000 1.830 0.000) 1.830 15.795 ( 0.000 -1.832 0.000) 1.832 16.410 ( 0.000 7.061 0.000) 7.061 16.529 ( 0.000 -4.433 0.000) 4.433 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 10.482 25.511 0.000) 27.581 1.351 ( 6.157 25.230 0.000) 25.971 1.820 ( 1.951 -19.838 0.000) 19.933 1.865 ( 4.034 -25.503 0.000) 25.820 2.225 ( 22.734 33.491 0.000) 40.478 2.820 ( 8.495 -22.355 0.000) 23.915 3.803 ( 3.672 2.273 0.000) 4.318 3.845 ( 2.874 -1.723 0.000) 3.351 4.240 ( -20.542 21.706 0.000) 29.885 4.714 ( -17.894 -22.920 0.000) 29.078 5.093 ( -4.680 0.865 0.000) 4.759 5.112 ( -5.042 -0.884 0.000) 5.119 5.225 ( 13.611 15.147 0.000) 20.364 5.630 ( 4.632 -22.261 0.000) 22.737 6.703 ( -3.700 15.150 0.000) 15.595 6.908 ( 5.624 1.290 0.000) 5.770 7.118 ( -6.080 -1.396 0.000) 6.238 7.221 ( -0.455 -5.915 0.000) 5.932 8.643 ( 0.306 3.135 0.000) 3.150 8.718 ( -11.332 19.640 0.000) 22.675 8.727 ( 1.132 -4.932 0.000) 5.061 9.015 ( -9.014 -9.555 0.000) 13.136 9.279 ( 2.170 2.979 0.000) 3.686 9.306 ( 0.719 0.351 0.000) 0.800 9.518 ( -9.850 8.304 0.000) 12.883 9.686 ( -10.900 -7.777 0.000) 13.390 9.887 ( -0.236 2.768 0.000) 2.778 9.974 ( 0.019 -5.494 0.000) 5.494 9.981 ( 18.112 -1.907 0.000) 18.212 10.040 ( 18.885 -7.154 0.000) 20.195 10.711 ( 0.021 4.528 0.000) 4.528 10.793 ( -0.441 -3.328 0.000) 3.357 12.315 ( -7.377 3.719 0.000) 8.261 12.336 ( -2.090 0.304 0.000) 2.112 12.886 ( -5.623 11.690 0.000) 12.972 13.147 ( 5.158 -11.584 0.000) 12.681 13.817 ( 18.452 12.800 0.000) 22.457 14.223 ( 12.291 -22.667 0.000) 25.785 15.749 ( -0.073 2.672 0.000) 2.673 15.801 ( 0.603 -2.290 0.000) 2.368 16.400 ( -1.145 7.141 0.000) 7.232 16.519 ( -1.165 -4.273 0.000) 4.429 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 9.085 18.884 0.000) 20.956 1.628 ( 19.149 17.862 0.000) 26.187 1.865 ( 2.367 -15.559 0.000) 15.738 2.020 ( 12.172 -19.854 0.000) 23.289 2.677 ( 20.545 18.714 0.000) 27.791 2.975 ( 6.335 -8.508 0.000) 10.607 3.893 ( -14.055 20.500 0.000) 24.855 3.907 ( 7.239 1.122 0.000) 7.325 3.929 ( 5.992 -0.920 0.000) 6.063 4.356 ( -18.097 -23.844 0.000) 29.934 4.963 ( -8.794 0.476 0.000) 8.807 4.973 ( -9.181 -0.468 0.000) 9.193 5.444 ( 7.800 4.118 0.000) 8.821 5.616 ( -4.330 -10.758 0.000) 11.597 6.675 ( 2.893 19.320 0.000) 19.535 7.029 ( -3.167 3.314 0.000) 4.584 7.037 ( 8.771 -5.286 0.000) 10.241 7.256 ( 3.084 -8.375 0.000) 8.925 8.621 ( -2.375 15.940 0.000) 16.116 8.659 ( 1.446 3.726 0.000) 3.996 8.752 ( 1.369 -5.148 0.000) 5.327 8.852 ( -7.877 -6.803 0.000) 10.408 9.271 ( -14.017 6.211 0.000) 15.332 9.317 ( 1.115 1.592 0.000) 1.943 9.332 ( 2.196 0.539 0.000) 2.261 9.398 ( -16.903 -5.881 0.000) 17.897 9.886 ( 0.289 3.370 0.000) 3.382 9.974 ( -0.010 -4.942 0.000) 4.942 10.281 ( 14.557 0.606 0.000) 14.570 10.394 ( 15.480 -11.326 0.000) 19.181 10.712 ( 0.088 3.688 0.000) 3.689 10.780 ( -0.843 -2.855 0.000) 2.976 12.092 ( -13.970 7.574 0.000) 15.891 12.195 ( -13.161 -3.346 0.000) 13.580 12.895 ( 5.783 17.934 0.000) 18.843 13.211 ( 1.674 -8.058 0.000) 8.230 14.204 ( 19.786 1.125 0.000) 19.818 14.485 ( 13.287 -21.199 0.000) 25.019 15.774 ( 2.918 3.033 0.000) 4.209 15.827 ( 2.565 -2.078 0.000) 3.300 16.359 ( -3.320 7.341 0.000) 8.057 16.478 ( -3.256 -3.971 0.000) 5.136 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 8.459 11.390 0.000) 14.187 1.898 ( 0.813 -9.673 0.000) 9.707 2.017 ( 20.438 13.510 0.000) 24.499 2.299 ( 15.325 -13.470 0.000) 20.403 2.909 ( 4.082 12.424 0.000) 13.077 3.047 ( 1.711 -0.168 0.000) 1.719 3.715 ( -6.157 8.299 0.000) 10.334 4.030 ( -16.327 -21.565 0.000) 27.049 4.072 ( 9.413 0.257 0.000) 9.417 4.078 ( 10.058 -0.341 0.000) 10.064 4.761 ( -12.031 0.627 0.000) 12.047 4.774 ( -11.467 -0.591 0.000) 11.482 5.515 ( 1.951 4.705 0.000) 5.093 5.593 ( 2.948 -2.708 0.000) 4.003 6.813 ( 7.499 14.362 0.000) 16.202 6.999 ( 0.601 1.750 0.000) 1.850 7.184 ( 5.374 0.044 0.000) 5.374 7.378 ( 12.654 -13.465 0.000) 18.478 8.454 ( -17.214 10.412 0.000) 20.118 8.653 ( -16.055 -8.538 0.000) 18.184 8.697 ( 2.360 3.206 0.000) 3.981 8.773 ( 0.667 -3.999 0.000) 4.054 9.083 ( -3.179 6.538 0.000) 7.270 9.165 ( -5.398 -1.175 0.000) 5.525 9.334 ( 0.797 1.605 0.000) 1.792 9.364 ( 0.885 -1.056 0.000) 1.378 9.901 ( 1.348 3.227 0.000) 3.497 9.972 ( -0.309 -3.399 0.000) 3.413 10.535 ( 11.902 0.676 0.000) 11.921 10.634 ( 9.895 -9.349 0.000) 13.613 10.715 ( 0.297 2.362 0.000) 2.380 10.762 ( -1.087 -2.026 0.000) 2.299 11.821 ( -13.303 6.165 0.000) 14.662 11.911 ( -14.920 -3.009 0.000) 15.220 13.027 ( 6.755 15.337 0.000) 16.758 13.222 ( -0.406 -0.399 0.000) 0.569 14.527 ( 13.443 -5.028 0.000) 14.352 14.685 ( 7.175 -17.577 0.000) 18.985 15.855 ( 5.385 3.793 0.000) 6.586 15.919 ( 7.205 -2.347 0.000) 7.578 16.271 ( -5.895 7.713 0.000) 9.707 16.392 ( -5.784 -3.794 0.000) 6.917 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 5.640 3.968 0.000) 6.897 1.887 ( -2.159 -3.061 0.000) 3.746 2.361 ( 14.118 9.798 0.000) 17.185 2.495 ( 1.852 -2.193 0.000) 2.870 2.965 ( 5.113 11.632 0.000) 12.706 3.055 ( -1.695 4.829 0.000) 5.118 3.617 ( -1.798 -9.786 0.000) 9.950 3.738 ( -13.089 -19.767 0.000) 23.708 4.274 ( 11.531 0.836 0.000) 11.562 4.294 ( 11.872 -1.062 0.000) 11.919 4.521 ( -12.546 1.067 0.000) 12.592 4.542 ( -12.405 -0.984 0.000) 12.444 5.601 ( 5.415 7.857 0.000) 9.542 5.647 ( 1.093 3.269 0.000) 3.447 6.875 ( 2.292 3.292 0.000) 4.011 6.958 ( -5.425 -4.507 0.000) 7.053 7.439 ( 20.188 11.583 0.000) 23.275 7.654 ( 9.243 -5.776 0.000) 10.899 8.084 ( -13.467 2.003 0.000) 13.615 8.263 ( -21.423 -12.025 0.000) 24.567 8.742 ( 2.160 1.340 0.000) 2.542 8.772 ( -0.832 -1.460 0.000) 1.681 9.102 ( 2.394 5.475 0.000) 5.976 9.129 ( -0.548 2.834 0.000) 2.886 9.350 ( 0.890 0.399 0.000) 0.976 9.366 ( -0.560 -0.992 0.000) 1.139 9.932 ( 1.695 1.603 0.000) 2.333 9.959 ( -1.051 -0.954 0.000) 1.419 10.722 ( 6.851 -1.219 0.000) 6.959 10.724 ( 0.676 0.752 0.000) 1.011 10.741 ( -1.024 -0.802 0.000) 1.301 10.763 ( 2.847 -5.419 0.000) 6.121 11.634 ( -4.692 2.864 0.000) 5.497 11.675 ( -8.489 -1.189 0.000) 8.572 13.135 ( 4.418 10.808 0.000) 11.676 13.197 ( -2.200 5.759 0.000) 6.165 14.710 ( 5.876 -9.659 0.000) 11.306 14.759 ( 0.649 -13.503 0.000) 13.518 15.980 ( 7.472 5.717 0.000) 9.408 16.074 ( 6.350 -3.464 0.000) 7.234 16.147 ( -4.908 7.525 0.000) 8.984 16.259 ( -8.017 -3.369 0.000) 8.697 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 0.000 22.443) 22.443 0.646 ( 0.000 0.000 32.353) 32.353 1.153 ( 0.000 0.000 57.036) 57.036 2.428 ( 0.000 0.000 14.363) 14.363 2.443 ( 0.000 0.000 -2.355) 2.355 3.080 ( 0.000 0.000 -9.225) 9.225 3.918 ( 0.000 0.000 8.285) 8.285 4.177 ( 0.000 0.000 23.144) 23.144 4.313 ( 0.000 0.000 7.432) 7.432 4.417 ( 0.000 0.000 21.219) 21.219 5.258 ( 0.000 0.000 14.016) 14.016 5.293 ( 0.000 0.000 10.385) 10.385 5.774 ( 0.000 0.000 -0.490) 0.490 5.823 ( 0.000 0.000 -3.397) 3.397 6.313 ( 0.000 0.000 2.811) 2.811 6.342 ( 0.000 0.000 -4.384) 4.384 7.299 ( 0.000 0.000 -2.632) 2.632 7.367 ( 0.000 0.000 -0.495) 0.495 7.378 ( 0.000 0.000 0.654) 0.654 8.708 ( 0.000 0.000 10.742) 10.742 8.822 ( 0.000 0.000 -12.804) 12.804 8.915 ( 0.000 0.000 -17.989) 17.989 9.107 ( 0.000 0.000 3.927) 3.927 9.317 ( 0.000 0.000 -5.186) 5.186 9.517 ( 0.000 0.000 15.061) 15.061 9.911 ( 0.000 0.000 1.465) 1.465 9.962 ( 0.000 0.000 -2.713) 2.713 9.970 ( 0.000 0.000 -1.731) 1.731 10.399 ( 0.000 0.000 16.944) 16.944 10.587 ( 0.000 0.000 3.221) 3.221 10.909 ( 0.000 0.000 4.102) 4.102 11.269 ( 0.000 0.000 -1.255) 1.255 12.358 ( 0.000 0.000 3.843) 3.843 12.650 ( 0.000 0.000 6.808) 6.808 12.808 ( 0.000 0.000 -5.862) 5.862 12.861 ( 0.000 0.000 -6.317) 6.317 14.665 ( 0.000 0.000 -4.660) 4.660 14.809 ( 0.000 0.000 -1.017) 1.017 15.575 ( 0.000 0.000 -4.888) 4.888 15.696 ( 0.000 0.000 -1.965) 1.965 15.805 ( 0.000 0.000 -3.212) 3.212 16.119 ( 0.000 0.000 -5.134) 5.134 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 19.665 0.000 22.759) 30.078 0.957 ( 27.073 0.000 20.998) 34.261 1.451 ( 34.790 0.000 35.584) 49.765 2.372 ( -2.644 0.000 6.940) 7.426 2.519 ( 4.475 0.000 5.936) 7.434 3.035 ( -4.861 0.000 -7.996) 9.357 3.720 ( -18.197 0.000 -1.589) 18.266 4.099 ( -0.274 0.000 28.759) 28.761 4.155 ( -0.184 0.000 24.559) 24.560 4.962 ( 28.701 0.000 4.666) 29.077 5.218 ( -4.173 0.000 14.107) 14.711 5.242 ( -5.229 0.000 10.533) 11.760 5.579 ( -9.870 0.000 -1.416) 9.971 5.739 ( -8.317 0.000 -2.830) 8.785 6.178 ( -13.376 0.000 2.639) 13.633 6.527 ( 9.367 0.000 -4.544) 10.411 7.310 ( 2.269 0.000 0.163) 2.275 7.481 ( 8.169 0.000 -2.606) 8.575 7.485 ( 12.131 0.000 -2.845) 12.460 8.688 ( -1.394 0.000 9.993) 10.090 8.828 ( -0.301 0.000 -16.915) 16.918 9.028 ( 8.044 0.000 -9.079) 12.130 9.147 ( 0.127 0.000 -1.532) 1.537 9.268 ( -1.666 0.000 1.798) 2.452 9.450 ( -5.717 0.000 17.077) 18.008 9.824 ( -12.326 0.000 -5.578) 13.529 9.921 ( -1.323 0.000 6.280) 6.418 10.050 ( 6.808 0.000 -3.234) 7.537 10.322 ( -3.520 0.000 16.792) 17.157 10.594 ( 0.768 0.000 2.604) 2.715 10.901 ( -0.776 0.000 4.071) 4.145 11.287 ( 1.418 0.000 -0.819) 1.637 11.973 ( -28.592 0.000 29.676) 41.209 12.466 ( 1.679 0.000 11.907) 12.024 12.556 ( -15.989 0.000 -5.288) 16.841 13.000 ( 4.448 0.000 -6.068) 7.524 14.651 ( 1.983 0.000 -3.209) 3.772 14.963 ( 12.295 0.000 -3.373) 12.750 15.615 ( -3.506 0.000 -4.357) 5.593 15.794 ( 2.452 0.000 -4.272) 4.925 16.074 ( 18.456 0.000 -26.166) 32.020 16.110 ( -0.976 0.000 -5.238) 5.328 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 22.972 0.000 12.244) 26.031 1.341 ( 17.417 0.000 29.359) 34.137 2.214 ( 34.392 0.000 9.178) 35.596 2.331 ( -1.848 0.000 9.553) 9.730 2.601 ( 4.092 0.000 5.920) 7.197 2.928 ( -5.156 0.000 -4.180) 6.637 3.463 ( -4.008 0.000 0.071) 4.009 4.178 ( 7.229 0.000 27.067) 28.016 4.197 ( 4.274 0.000 23.795) 24.176 5.082 ( -10.733 0.000 -2.740) 11.077 5.090 ( -9.454 0.000 11.947) 15.235 5.113 ( -7.654 0.000 13.662) 15.660 5.503 ( -17.291 0.000 -2.688) 17.499 5.824 ( 30.612 0.000 2.615) 30.723 5.874 ( -15.780 0.000 3.989) 16.276 6.649 ( 5.150 0.000 -2.177) 5.591 7.351 ( 0.636 0.000 -0.148) 0.653 7.642 ( 7.548 0.000 -4.017) 8.550 7.778 ( 16.994 0.000 -5.943) 18.003 8.678 ( 0.485 0.000 8.664) 8.677 8.798 ( -2.862 0.000 -15.680) 15.939 8.996 ( -11.779 0.000 -5.901) 13.175 9.149 ( 4.253 0.000 9.732) 10.620 9.346 ( -4.185 0.000 12.449) 13.133 9.356 ( 6.971 0.000 9.064) 11.435 9.496 ( -20.381 0.000 -3.829) 20.737 9.906 ( -0.389 0.000 7.195) 7.205 10.109 ( -0.302 0.000 0.455) 0.546 10.398 ( 9.886 0.000 6.170) 11.654 10.614 ( 1.250 0.000 0.895) 1.537 10.882 ( -1.126 0.000 4.384) 4.527 11.297 ( -0.970 0.000 0.833) 1.278 11.630 ( -10.285 0.000 20.528) 22.961 12.240 ( -16.694 0.000 -4.397) 17.263 12.544 ( 5.565 0.000 7.569) 9.395 13.015 ( -2.152 0.000 -4.794) 5.255 14.773 ( 10.365 0.000 -3.448) 10.924 15.216 ( 13.416 0.000 -5.371) 14.451 15.547 ( -3.134 0.000 -3.718) 4.862 15.808 ( -0.862 0.000 -4.081) 4.170 16.083 ( -1.652 0.000 -5.551) 5.792 16.253 ( 2.736 0.000 -20.827) 21.006 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 15.556 0.000 24.621) 29.123 1.698 ( 18.759 0.000 4.842) 19.374 2.291 ( -2.697 0.000 15.996) 16.222 2.498 ( -3.638 0.000 1.194) 3.829 2.686 ( 5.398 0.000 3.655) 6.519 2.901 ( 2.886 0.000 -0.485) 2.926 3.668 ( 21.272 0.000 -0.094) 21.272 4.308 ( 7.058 0.000 22.207) 23.301 4.351 ( 10.237 0.000 25.386) 27.372 4.879 ( -12.200 0.000 12.300) 17.324 4.935 ( -0.426 0.000 -0.681) 0.803 4.940 ( -11.190 0.000 13.581) 17.598 5.078 ( -24.844 0.000 0.295) 24.846 5.626 ( -10.986 0.000 4.527) 11.882 6.404 ( 26.978 0.000 1.408) 27.015 6.786 ( 11.044 0.000 -2.651) 11.358 7.301 ( -6.373 0.000 -1.370) 6.519 7.704 ( -2.997 0.000 -4.270) 5.217 8.098 ( 16.096 0.000 -6.636) 17.410 8.675 ( -2.693 0.000 -0.300) 2.709 8.730 ( -3.746 0.000 -11.917) 12.492 8.814 ( -4.302 0.000 3.113) 5.310 9.103 ( -18.595 0.000 -1.286) 18.639 9.150 ( -4.160 0.000 23.105) 23.476 9.345 ( 3.994 0.000 3.374) 5.228 9.468 ( 3.825 0.000 9.649) 10.379 9.916 ( 1.716 0.000 8.111) 8.291 10.088 ( -1.683 0.000 3.009) 3.448 10.592 ( 8.706 0.000 -0.103) 8.707 10.641 ( 1.532 0.000 -1.251) 1.978 10.872 ( 0.891 0.000 6.657) 6.716 11.237 ( -5.312 0.000 3.790) 6.526 11.511 ( -2.732 0.000 10.284) 10.641 11.932 ( -15.199 0.000 -3.398) 15.574 12.661 ( 6.289 0.000 4.174) 7.548 12.949 ( -4.093 0.000 -3.043) 5.100 15.013 ( 13.771 0.000 -4.099) 14.368 15.449 ( 10.361 0.000 -6.626) 12.299 15.499 ( -2.149 0.000 -3.884) 4.439 15.761 ( -3.941 0.000 -4.363) 5.880 16.057 ( -0.664 0.000 -6.379) 6.413 16.242 ( -3.044 0.000 -15.588) 15.883 ======================= Grid point 49 (20/120) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 10.462 0.000 17.510) 20.397 1.968 ( 7.679 0.000 1.732) 7.872 2.233 ( -1.501 0.000 19.605) 19.663 2.332 ( -9.771 0.000 4.566) 10.785 2.818 ( 7.806 0.000 1.888) 8.031 2.928 ( -2.177 0.000 0.954) 2.377 4.081 ( 21.495 0.000 -1.600) 21.555 4.455 ( 8.742 0.000 18.182) 20.174 4.531 ( -25.433 0.000 -1.385) 25.471 4.552 ( 10.795 0.000 21.654) 24.196 4.655 ( -12.034 0.000 14.378) 18.749 4.764 ( -11.374 0.000 18.372) 21.607 5.111 ( 15.803 0.000 3.215) 16.127 5.404 ( -13.292 0.000 4.230) 13.949 6.803 ( 16.632 0.000 0.186) 16.633 7.101 ( -14.021 0.000 -1.250) 14.077 7.116 ( 21.437 0.000 -3.575) 21.733 7.501 ( -17.084 0.000 -3.949) 17.534 8.390 ( 14.649 0.000 -5.285) 15.573 8.619 ( -2.989 0.000 -6.568) 7.216 8.667 ( -2.644 0.000 -9.419) 9.783 8.687 ( -11.066 0.000 -3.377) 11.570 8.942 ( 2.933 0.000 12.977) 13.304 9.044 ( -6.125 0.000 18.473) 19.462 9.434 ( 4.377 0.000 7.560) 8.735 9.492 ( -1.222 0.000 9.318) 9.398 9.971 ( 3.757 0.000 7.979) 8.819 10.042 ( -3.226 0.000 6.061) 6.866 10.670 ( 1.389 0.000 -3.178) 3.468 10.682 ( 0.892 0.000 -4.199) 4.293 10.953 ( 7.314 0.000 9.255) 11.796 11.106 ( -7.918 0.000 7.099) 10.634 11.524 ( 4.313 0.000 3.098) 5.311 11.675 ( -11.154 0.000 -1.386) 11.240 12.774 ( 5.435 0.000 1.215) 5.569 12.868 ( -4.458 0.000 -1.122) 4.597 15.266 ( 11.894 0.000 -4.373) 12.672 15.437 ( -5.515 0.000 -4.261) 6.969 15.596 ( 5.057 0.000 -6.281) 8.064 15.675 ( -4.323 0.000 -5.022) 6.626 16.077 ( 3.022 0.000 -8.672) 9.183 16.160 ( -4.948 0.000 -12.003) 12.983 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 24.879 11.963) 27.606 0.821 ( 0.000 20.119 19.305) 27.883 1.579 ( 0.000 31.919 42.217) 52.926 2.275 ( 0.000 -14.190 11.241) 18.103 2.312 ( 0.000 -15.834 -3.072) 16.129 3.050 ( 0.000 -4.680 -4.277) 6.340 3.992 ( 0.000 6.179 14.010) 15.312 4.108 ( 0.000 -2.986 24.249) 24.432 4.373 ( 0.000 -1.950 15.640) 15.761 4.506 ( 0.000 17.748 4.468) 18.302 5.262 ( 0.000 -0.149 13.166) 13.167 5.283 ( 0.000 -1.064 9.934) 9.991 5.460 ( 0.000 -19.745 -1.462) 19.799 5.984 ( 0.000 -18.733 0.935) 18.756 6.327 ( 0.000 24.646 -13.136) 27.928 6.594 ( 0.000 11.064 -2.355) 11.312 7.227 ( 0.000 -2.822 -6.936) 7.488 7.321 ( 0.000 -5.131 0.406) 5.147 7.796 ( 0.000 27.814 -22.285) 35.641 8.724 ( 0.000 1.455 10.492) 10.593 8.766 ( 0.000 -5.879 -17.981) 18.918 8.878 ( 0.000 -2.411 -8.302) 8.645 9.177 ( 0.000 6.394 1.991) 6.697 9.391 ( 0.000 6.555 -5.228) 8.384 9.581 ( 0.000 5.751 11.966) 13.276 9.837 ( 0.000 -7.665 1.027) 7.734 9.879 ( 0.000 -5.061 -4.419) 6.719 9.981 ( 0.000 -2.222 1.368) 2.609 10.337 ( 0.000 -4.127 16.715) 17.217 10.660 ( 0.000 5.389 5.049) 7.385 10.697 ( 0.000 -30.992 30.429) 43.432 10.912 ( 0.000 -3.301 7.511) 8.205 12.373 ( 0.000 -0.249 4.291) 4.298 12.574 ( 0.000 -5.555 4.141) 6.929 12.881 ( 0.000 5.369 -2.179) 5.794 13.019 ( 0.000 12.852 -3.936) 13.441 13.712 ( 0.000 -32.469 29.977) 44.191 14.480 ( 0.000 -16.574 -4.231) 17.105 15.681 ( 0.000 1.193 -4.458) 4.615 15.788 ( 0.000 -1.433 -3.815) 4.075 16.207 ( 0.000 7.133 -4.861) 8.631 16.307 ( 0.000 16.988 -19.519) 25.876 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.11 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 17.622 11.441 16.830) 26.920 1.151 ( 23.724 16.937 15.925) 33.216 1.800 ( 23.799 27.089 28.837) 46.172 2.222 ( -1.916 -14.769 4.350) 15.515 2.389 ( 4.902 -12.976 7.372) 15.708 3.015 ( -3.113 -2.625 -4.514) 6.079 3.844 ( -17.655 12.512 -0.826) 21.655 4.112 ( 0.330 -0.126 26.508) 26.511 4.135 ( 0.315 0.101 27.429) 27.431 4.954 ( 18.355 -0.325 2.952) 18.593 5.190 ( -8.140 -10.420 4.220) 13.880 5.224 ( -4.767 0.039 12.668) 13.535 5.316 ( -3.311 -7.143 8.382) 11.500 5.961 ( -9.597 -4.877 -6.467) 12.558 6.321 ( -2.871 15.902 -1.775) 16.257 6.592 ( 3.976 11.231 -4.782) 12.838 7.233 ( 2.313 -7.730 -4.249) 9.119 7.280 ( -0.587 -4.504 0.179) 4.545 7.905 ( 9.494 22.443 -13.268) 27.746 8.693 ( -1.684 -0.090 5.188) 5.456 8.791 ( 1.073 -2.930 -12.807) 13.181 8.982 ( 7.001 -4.188 -3.968) 9.072 9.193 ( 0.419 4.475 -0.397) 4.512 9.323 ( -5.692 5.429 -2.369) 8.215 9.504 ( -5.538 3.501 15.983) 17.274 9.772 ( -11.990 -4.960 -5.636) 14.147 9.865 ( 2.108 -3.935 1.612) 4.746 10.043 ( 5.586 -1.473 1.171) 5.895 10.285 ( -1.317 -2.334 17.375) 17.580 10.648 ( 0.201 3.060 4.587) 5.518 10.790 ( 4.880 -20.912 14.652) 25.996 10.918 ( 1.031 -6.849 10.184) 12.316 12.216 ( -19.791 11.086 8.158) 24.106 12.393 ( -2.968 -3.111 4.572) 6.276 12.697 ( -9.934 9.748 2.439) 14.130 13.115 ( 3.707 9.858 -4.658) 11.516 14.113 ( 23.819 -34.341 6.936) 42.364 14.620 ( 13.849 -19.298 -4.479) 24.172 15.649 ( -1.879 2.557 -4.509) 5.513 15.798 ( 0.478 -1.388 -3.948) 4.212 16.193 ( -1.384 7.186 -5.176) 8.964 16.340 ( 2.092 10.715 -17.821) 20.899 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.22 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 20.991 7.244 13.536) 26.006 1.532 ( 17.271 13.710 21.834) 31.032 2.215 ( 2.130 -10.595 7.015) 12.884 2.369 ( 26.640 13.056 8.247) 30.792 2.481 ( 4.992 -10.945 9.640) 15.415 2.957 ( -2.409 1.791 -4.500) 5.409 3.563 ( -7.409 10.667 0.591) 13.001 4.188 ( 6.696 0.556 26.441) 27.282 4.194 ( 4.886 0.171 24.872) 25.348 4.814 ( -16.181 -20.536 -1.406) 26.182 5.091 ( -9.044 0.021 11.620) 14.725 5.108 ( -7.096 -0.491 13.336) 15.114 5.508 ( 6.081 -3.756 3.098) 7.790 5.726 ( -9.069 0.595 -0.320) 9.094 6.242 ( 2.913 20.377 -0.436) 20.588 6.718 ( 5.876 8.360 -3.134) 10.688 7.282 ( 1.511 -8.614 -0.831) 8.785 7.379 ( 10.008 -11.205 -4.188) 15.597 8.091 ( 8.440 17.314 -9.488) 21.472 8.674 ( -0.673 -1.147 0.459) 1.407 8.787 ( -1.147 0.186 -6.337) 6.443 9.063 ( -11.420 5.229 -6.568) 14.174 9.077 ( 2.687 -5.548 12.560) 13.991 9.309 ( 1.817 0.113 3.126) 3.617 9.442 ( -0.825 2.854 12.614) 12.959 9.459 ( -18.287 -3.225 -3.027) 18.815 9.900 ( 1.685 0.495 5.150) 5.441 10.101 ( 0.479 -0.928 4.020) 4.154 10.378 ( 9.540 -1.324 6.920) 11.860 10.657 ( 0.535 3.656 1.793) 4.107 10.832 ( 0.263 -7.918 4.114) 8.927 10.963 ( 3.136 -15.537 12.404) 20.127 11.903 ( -13.463 13.546 6.471) 20.165 12.216 ( -14.573 -1.876 -3.618) 15.132 12.657 ( 4.340 10.630 7.124) 13.512 13.124 ( -2.078 9.004 -3.815) 9.997 14.482 ( 16.860 -22.316 -1.752) 28.024 14.899 ( 12.537 -22.476 -5.350) 26.287 15.645 ( 1.854 4.882 -4.853) 7.129 15.806 ( 0.709 -0.732 -4.750) 4.859 16.149 ( -3.383 6.545 -5.527) 9.210 16.351 ( -1.196 5.140 -14.594) 15.519 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 16.626 5.459 16.228) 23.865 1.848 ( 15.609 11.163 12.036) 22.652 2.236 ( -0.106 -5.217 15.665) 16.511 2.556 ( -0.228 -1.660 3.785) 4.139 2.662 ( 6.866 4.226 1.919) 8.288 2.943 ( 1.217 3.482 -2.145) 4.267 3.643 ( 12.764 -0.817 -0.104) 12.791 4.304 ( 5.518 -1.275 20.788) 21.545 4.349 ( 9.056 -0.295 24.990) 26.582 4.529 ( -12.439 -22.483 1.633) 25.746 4.891 ( -11.422 0.696 13.243) 17.502 4.942 ( -9.738 -0.481 15.125) 17.995 5.358 ( -8.941 12.366 -0.392) 15.265 5.644 ( -4.982 0.810 4.148) 6.533 6.528 ( 20.175 11.253 0.558) 23.107 6.836 ( 9.093 5.211 -3.026) 10.909 7.252 ( -5.298 -4.684 -1.900) 7.322 7.585 ( 8.972 -10.877 -4.870) 14.917 8.164 ( -1.641 6.458 -7.507) 10.037 8.639 ( -3.677 -3.847 -8.190) 9.768 8.780 ( -0.190 3.768 3.772) 5.334 8.865 ( -6.430 5.029 -3.048) 8.713 9.087 ( -6.157 -3.784 13.460) 15.278 9.108 ( -10.001 -1.253 3.587) 10.699 9.356 ( 2.951 1.109 3.684) 4.849 9.475 ( 1.773 -0.124 9.440) 9.606 9.940 ( 2.685 2.649 8.444) 9.248 10.095 ( -0.958 0.332 5.959) 6.044 10.558 ( 7.702 -2.155 -0.332) 8.004 10.667 ( 0.568 1.573 -0.593) 1.775 10.842 ( 1.854 -3.194 5.692) 6.785 11.016 ( 2.089 -12.952 9.214) 16.031 11.681 ( -9.588 9.224 4.201) 13.952 11.922 ( -15.055 -0.978 -3.114) 15.405 12.772 ( 6.619 10.598 3.876) 13.083 13.063 ( -3.817 9.538 -2.640) 10.607 14.782 ( 14.178 -18.002 -3.811) 23.230 15.062 ( 4.719 -21.918 -5.287) 23.035 15.706 ( 3.594 6.256 -5.030) 8.795 15.849 ( 4.282 4.056 -6.209) 8.564 16.066 ( -4.887 3.942 -6.150) 8.789 16.296 ( -4.502 2.900 -12.080) 13.214 ======================= Grid point 58 (25/120) ======================= q-point: ( 0.44 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 10.436 3.485 17.886) 20.999 2.058 ( 2.274 5.969 8.154) 10.358 2.251 ( 5.314 2.939 14.840) 16.034 2.424 ( -9.997 7.625 2.545) 12.828 2.827 ( 9.083 1.558 1.648) 9.362 2.949 ( -2.521 2.382 0.320) 3.483 3.899 ( 13.872 -14.679 -1.242) 20.235 4.193 ( -15.521 -22.500 -0.744) 27.344 4.482 ( 7.338 0.026 19.281) 20.630 4.539 ( 9.013 -1.429 21.033) 22.927 4.674 ( -10.227 1.468 16.585) 19.540 4.749 ( -10.395 -0.829 18.235) 21.006 5.357 ( 7.681 15.856 1.725) 17.702 5.524 ( -7.799 9.026 3.057) 12.314 6.821 ( 12.046 1.600 -0.150) 12.153 7.037 ( -6.347 -3.845 -1.039) 7.494 7.200 ( 16.490 6.241 -4.216) 18.129 7.561 ( -13.884 4.840 -4.843) 15.480 8.188 ( 9.096 -12.741 -4.803) 16.375 8.449 ( -15.137 -11.728 -5.975) 20.060 8.783 ( 2.821 8.746 -3.948) 10.002 8.839 ( -1.600 6.076 -0.876) 6.344 8.968 ( 0.770 2.426 6.135) 6.642 9.034 ( -4.219 -0.803 15.173) 15.769 9.426 ( 3.734 -0.524 6.835) 7.806 9.479 ( -1.487 -1.221 8.489) 8.705 10.002 ( 3.515 2.734 9.398) 10.399 10.062 ( -2.536 1.638 8.221) 8.758 10.645 ( 2.130 -2.041 -4.420) 5.314 10.670 ( -0.608 -1.390 -3.862) 4.149 10.928 ( 6.281 -2.028 9.376) 11.466 11.021 ( -2.322 -6.251 8.643) 10.916 11.572 ( -0.543 3.327 1.602) 3.732 11.672 ( -10.210 -0.313 -1.501) 10.324 12.891 ( 5.582 10.545 0.887) 11.964 12.985 ( -4.407 10.178 -1.196) 11.155 15.001 ( 8.240 -19.020 -4.504) 21.212 15.092 ( -1.451 -20.849 -4.926) 21.472 15.780 ( 4.764 8.371 -5.234) 10.962 15.881 ( -4.159 12.367 -5.517) 14.166 16.049 ( 5.629 -2.116 -8.743) 10.611 16.184 ( -6.987 1.244 -10.321) 12.525 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 27.594 5.574) 28.152 1.343 ( 0.000 27.257 6.650) 28.057 1.858 ( 0.000 -25.649 2.310) 25.753 1.881 ( 0.000 -23.199 7.155) 24.278 2.260 ( 0.000 31.587 25.760) 40.759 2.806 ( 0.000 -19.931 9.346) 22.013 4.070 ( 0.000 0.558 27.178) 27.184 4.075 ( 0.000 -0.653 24.883) 24.892 4.500 ( 0.000 15.652 -0.915) 15.679 4.852 ( 0.000 -2.128 -1.862) 2.828 5.047 ( 0.000 -0.222 -0.462) 0.512 5.238 ( 0.000 -4.303 6.603) 7.882 5.325 ( 0.000 3.869 15.200) 15.685 5.574 ( 0.000 -19.768 6.222) 20.724 6.690 ( 0.000 11.036 -7.890) 13.566 6.761 ( 0.000 3.908 -5.062) 6.395 7.172 ( 0.000 -1.899 -4.424) 4.814 7.202 ( 0.000 -5.070 -0.648) 5.111 8.285 ( 0.000 18.958 -30.769) 36.141 8.590 ( 0.000 -11.303 -26.045) 28.392 8.764 ( 0.000 2.443 8.943) 9.271 8.821 ( 0.000 -2.976 3.543) 4.628 9.360 ( 0.000 11.102 1.634) 11.222 9.555 ( 0.000 8.842 -3.674) 9.575 9.615 ( 0.000 -12.935 2.627) 13.199 9.726 ( 0.000 7.649 6.299) 9.909 9.737 ( 0.000 -8.432 -2.748) 8.869 9.877 ( 0.000 -6.864 3.364) 7.644 10.274 ( 0.000 -1.327 20.367) 20.410 10.317 ( 0.000 -7.103 28.227) 29.107 10.770 ( 0.000 4.906 5.792) 7.590 10.855 ( 0.000 -3.346 5.895) 6.778 12.383 ( 0.000 2.048 4.715) 5.141 12.460 ( 0.000 -5.073 3.853) 6.370 13.001 ( 0.000 6.235 1.601) 6.437 13.128 ( 0.000 -4.806 6.156) 7.810 13.613 ( 0.000 16.888 0.439) 16.894 14.057 ( 0.000 -22.948 -3.366) 23.194 15.712 ( 0.000 1.843 -4.360) 4.734 15.752 ( 0.000 -1.935 -4.261) 4.680 16.354 ( 0.000 6.224 -5.441) 8.267 16.432 ( 0.000 -0.613 -8.822) 8.843 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.11 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 8.251 22.709 6.012) 24.898 1.572 ( 15.337 21.837 11.572) 29.086 1.808 ( 1.335 -22.518 3.112) 22.771 2.032 ( 8.973 -20.550 11.206) 25.068 2.391 ( 13.214 27.267 17.385) 34.933 2.845 ( 3.775 -15.411 4.627) 16.527 4.103 ( 3.421 0.993 26.152) 26.394 4.105 ( 2.355 0.861 23.692) 23.824 4.232 ( -18.789 18.703 2.455) 26.624 4.692 ( -17.155 -22.820 -1.707) 28.600 5.140 ( 5.273 6.193 3.446) 8.833 5.215 ( -3.928 -1.475 10.073) 10.912 5.345 ( 4.839 8.017 12.506) 15.623 5.648 ( 3.389 -18.602 2.853) 19.122 6.658 ( -2.525 14.008 -4.423) 14.905 6.811 ( 4.442 3.289 -9.054) 10.607 7.102 ( -5.490 -2.140 -1.572) 6.099 7.177 ( -0.304 -5.729 -2.830) 6.397 8.323 ( 3.980 17.286 -22.003) 28.263 8.601 ( 0.436 -9.518 -19.638) 21.828 8.787 ( 2.384 2.818 7.255) 8.140 8.876 ( 4.116 -5.406 5.156) 8.530 9.329 ( -2.017 8.271 0.832) 8.554 9.467 ( -9.906 6.864 -3.839) 12.648 9.494 ( -5.228 -4.561 8.279) 10.802 9.636 ( -10.619 -7.725 -5.202) 14.125 9.852 ( 7.358 3.917 2.536) 8.713 9.968 ( 6.848 -5.633 4.226) 9.823 10.273 ( 2.121 1.892 19.465) 19.672 10.395 ( 6.732 -11.212 21.531) 25.191 10.762 ( -0.844 4.644 5.028) 6.896 10.846 ( -0.832 -3.492 5.639) 6.684 12.336 ( -9.825 2.150 0.719) 10.083 12.358 ( -5.681 -0.731 1.780) 5.999 12.931 ( -3.132 12.855 4.996) 14.143 13.188 ( 3.239 -8.571 3.427) 9.783 13.810 ( 17.725 8.424 -0.401) 19.629 14.182 ( 11.794 -22.169 -4.010) 25.429 15.704 ( -0.318 2.680 -4.568) 5.306 15.757 ( 0.376 -2.415 -4.449) 5.076 16.342 ( -1.325 6.324 -5.646) 8.581 16.424 ( -1.002 -0.978 -8.788) 8.899 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.22 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 16.362 15.395 7.573) 23.708 1.851 ( 13.626 16.368 18.014) 27.893 1.915 ( 8.824 -16.645 5.470) 19.617 2.194 ( 8.130 -15.906 15.611) 23.723 2.691 ( 15.013 15.636 3.094) 21.896 2.928 ( 4.194 -6.211 -2.595) 7.931 3.888 ( -13.799 19.590 0.214) 23.963 4.190 ( 3.337 -1.538 23.785) 24.067 4.202 ( 6.727 0.679 26.279) 27.135 4.358 ( -15.233 -21.526 2.002) 26.446 5.091 ( -8.041 0.086 11.098) 13.706 5.097 ( -7.399 -0.473 12.358) 14.411 5.496 ( 6.313 3.437 5.813) 9.244 5.631 ( -3.498 -8.134 2.432) 9.182 6.647 ( 3.981 18.548 -2.698) 19.162 6.950 ( 8.648 5.177 -7.893) 12.802 7.022 ( -1.280 -7.658 -0.792) 7.804 7.205 ( 2.046 -9.028 -4.314) 10.213 8.405 ( 2.960 12.656 -14.060) 19.147 8.600 ( -0.804 -6.325 -12.968) 14.451 8.833 ( 2.037 4.087 8.060) 9.264 8.943 ( 2.823 -6.343 12.233) 14.066 9.198 ( -13.557 6.824 -5.743) 16.228 9.311 ( -9.351 -2.451 -1.980) 9.868 9.393 ( -6.752 -0.405 0.402) 6.776 9.441 ( -0.893 -2.644 7.377) 7.887 9.960 ( 3.929 4.946 6.702) 9.210 10.058 ( 2.451 -3.638 7.437) 8.634 10.384 ( 8.658 3.169 9.783) 13.443 10.544 ( 7.755 -12.626 11.667) 18.860 10.744 ( -0.545 4.427 3.398) 5.607 10.830 ( -0.546 -3.951 5.602) 6.877 12.092 ( -14.251 5.642 -0.019) 15.328 12.171 ( -13.671 -2.664 -2.476) 14.147 12.951 ( 4.385 16.583 5.373) 17.975 13.220 ( 0.413 -4.897 0.649) 4.957 14.178 ( 18.852 -0.544 -2.472) 19.022 14.437 ( 13.096 -20.684 -4.776) 24.943 15.722 ( 2.544 2.978 -5.207) 6.515 15.775 ( 1.964 -2.146 -5.166) 5.929 16.298 ( -3.486 6.593 -6.021) 9.585 16.387 ( -3.001 -1.639 -8.607) 9.262 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 12.595 10.137 14.678) 21.836 2.057 ( 5.992 -3.454 14.348) 15.928 2.129 ( 14.165 7.081 12.014) 19.878 2.375 ( 11.037 -11.885 8.852) 18.478 2.871 ( 3.858 10.576 -2.656) 11.567 2.991 ( 2.499 -0.570 -4.413) 5.104 3.708 ( -6.164 8.601 0.242) 10.584 4.018 ( -15.225 -20.424 0.521) 25.480 4.339 ( 6.839 0.094 23.650) 24.619 4.347 ( 7.996 -0.527 24.870) 26.130 4.908 ( -10.563 0.899 13.931) 17.506 4.927 ( -10.037 -0.936 14.576) 17.722 5.536 ( 1.394 5.924 2.539) 6.594 5.626 ( 2.545 -2.782 3.823) 5.369 6.808 ( 8.084 14.242 -0.434) 16.382 6.982 ( 2.021 4.870 -1.902) 5.606 7.129 ( 4.069 -3.671 -4.862) 7.326 7.313 ( 13.171 -14.049 -5.911) 20.144 8.337 ( -12.213 9.400 -9.086) 17.890 8.518 ( -10.280 -7.730 -9.765) 16.149 8.865 ( 1.534 4.634 12.845) 13.741 8.960 ( -3.678 -1.900 11.012) 11.765 9.006 ( -1.440 2.050 -1.971) 3.187 9.081 ( -7.353 -2.454 -6.214) 9.935 9.392 ( 1.596 2.409 4.529) 5.372 9.446 ( 0.638 -2.479 6.649) 7.125 10.019 ( 2.628 4.336 10.570) 11.723 10.085 ( 0.756 -1.698 10.028) 10.198 10.542 ( 6.348 1.492 0.889) 6.582 10.635 ( 0.975 -6.127 0.578) 6.231 10.783 ( 5.257 0.949 6.343) 8.292 10.846 ( 2.864 -4.479 8.084) 9.676 11.821 ( -13.249 4.696 0.087) 14.057 11.890 ( -14.529 -2.284 -2.098) 14.856 13.050 ( 5.152 14.141 2.208) 15.211 13.214 ( -0.886 1.045 -0.803) 1.588 14.488 ( 13.035 -5.449 -3.763) 14.621 14.637 ( 7.271 -17.207 -4.836) 19.296 15.797 ( 5.073 3.347 -5.780) 8.387 15.853 ( 6.462 -2.014 -6.561) 9.427 16.207 ( -5.940 7.075 -6.260) 11.159 16.306 ( -5.508 -2.210 -8.285) 10.191 ======================= Grid point 67 (30/120) ======================= q-point: ( 0.44 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 5.913 4.097 20.292) 21.530 2.100 ( -0.829 -1.579 19.653) 19.733 2.395 ( 11.695 8.885 3.781) 15.166 2.516 ( 0.466 -1.300 2.170) 2.572 2.942 ( 5.815 9.227 -1.585) 11.021 3.022 ( -0.391 2.990 -2.619) 3.994 3.620 ( -1.233 -8.222 0.797) 8.352 3.740 ( -12.608 -18.377 0.816) 22.301 4.490 ( 8.707 0.732 20.145) 21.959 4.511 ( 8.975 -1.229 20.489) 22.402 4.703 ( -10.118 1.288 17.594) 20.337 4.728 ( -10.325 -1.161 17.940) 20.732 5.616 ( 5.262 8.106 1.849) 9.840 5.667 ( 0.513 3.111 2.234) 3.864 6.867 ( 2.138 3.069 -0.793) 3.823 6.948 ( -5.534 -4.541 -0.906) 7.215 7.383 ( 20.038 11.115 -5.265) 23.512 7.589 ( 8.460 -5.627 -6.053) 11.827 8.035 ( -11.126 1.595 -4.197) 11.998 8.203 ( -19.250 -11.582 -5.219) 23.064 8.900 ( 2.053 3.118 13.061) 13.584 8.927 ( -0.540 1.454 9.477) 9.603 9.013 ( 0.731 1.475 -3.884) 4.218 9.028 ( -0.713 0.358 -5.610) 5.667 9.425 ( 1.652 0.557 6.311) 6.547 9.448 ( -0.613 -1.548 6.946) 7.143 10.064 ( 1.942 2.628 11.948) 12.387 10.088 ( -0.533 0.368 11.592) 11.610 10.609 ( 1.473 -0.738 -4.576) 4.864 10.628 ( -0.814 -2.199 -4.368) 4.957 10.894 ( 4.875 -0.656 9.286) 10.509 10.918 ( 2.656 -3.143 9.639) 10.481 11.629 ( -5.290 2.112 -0.366) 5.708 11.660 ( -8.140 -0.958 -1.381) 8.312 13.134 ( 3.580 10.269 -0.074) 10.875 13.187 ( -2.027 6.042 -1.037) 6.457 14.667 ( 5.697 -9.655 -4.289) 12.003 14.713 ( 0.786 -13.295 -4.592) 14.087 15.915 ( 7.135 4.986 -6.398) 10.803 15.995 ( 5.962 -2.930 -7.738) 10.199 16.085 ( -4.879 7.065 -6.153) 10.563 16.179 ( -7.632 -2.178 -7.812) 11.137 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 0.000 26.150) 26.150 1.265 ( 0.000 0.000 29.947) 29.947 2.228 ( 0.000 0.000 51.536) 51.536 2.409 ( 0.000 0.000 -0.078) 0.078 2.790 ( 0.000 0.000 20.867) 20.867 2.936 ( 0.000 0.000 -5.293) 5.293 3.859 ( 0.000 0.000 -9.538) 9.538 4.510 ( 0.000 0.000 12.002) 12.002 4.794 ( 0.000 0.000 37.227) 37.227 5.154 ( 0.000 0.000 47.389) 47.389 5.561 ( 0.000 0.000 15.745) 15.745 5.618 ( 0.000 0.000 17.690) 17.690 5.739 ( 0.000 0.000 -1.276) 1.276 5.769 ( 0.000 0.000 0.471) 0.471 6.224 ( 0.000 0.000 -7.302) 7.302 6.419 ( 0.000 0.000 8.446) 8.446 7.232 ( 0.000 0.000 -3.966) 3.966 7.356 ( 0.000 0.000 -0.385) 0.385 7.404 ( 0.000 0.000 2.138) 2.138 8.335 ( 0.000 0.000 -27.099) 27.099 8.749 ( 0.000 0.000 -6.411) 6.411 8.985 ( 0.000 0.000 15.970) 15.970 9.042 ( 0.000 0.000 -10.699) 10.699 9.347 ( 0.000 0.000 8.471) 8.471 9.773 ( 0.000 0.000 -10.608) 10.608 9.885 ( 0.000 0.000 -5.015) 5.015 9.894 ( 0.000 0.000 22.056) 22.056 10.094 ( 0.000 0.000 9.376) 9.376 10.651 ( 0.000 0.000 2.660) 2.660 10.695 ( 0.000 0.000 12.020) 12.020 11.028 ( 0.000 0.000 7.953) 7.953 11.240 ( 0.000 0.000 -1.323) 1.323 12.471 ( 0.000 0.000 7.611) 7.611 12.637 ( 0.000 0.000 -11.379) 11.379 12.685 ( 0.000 0.000 -11.107) 11.107 12.834 ( 0.000 0.000 11.256) 11.256 14.541 ( 0.000 0.000 -7.539) 7.539 14.780 ( 0.000 0.000 -1.832) 1.832 15.445 ( 0.000 0.000 -8.163) 8.163 15.624 ( 0.000 0.000 -5.516) 5.516 15.710 ( 0.000 0.000 -6.332) 6.332 15.977 ( 0.000 0.000 -8.998) 8.998 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.11 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 31.241 0.000 16.929) 35.533 1.365 ( 9.778 0.000 26.086) 27.858 2.332 ( 10.893 0.000 46.923) 48.171 2.417 ( 1.055 0.000 1.517) 1.848 2.825 ( 3.200 0.000 20.684) 20.930 2.913 ( -2.225 0.000 -4.224) 4.774 3.662 ( -14.981 0.000 -4.807) 15.734 4.615 ( 7.264 0.000 18.367) 19.751 4.786 ( -0.042 0.000 37.244) 37.244 5.290 ( 5.001 0.000 29.592) 30.011 5.504 ( -5.844 0.000 14.359) 15.503 5.572 ( -4.952 0.000 14.400) 15.228 5.593 ( -1.895 0.000 5.444) 5.765 5.681 ( -6.000 0.000 3.671) 7.034 6.286 ( -12.249 0.000 9.073) 15.243 6.428 ( 12.194 0.000 -5.575) 13.408 7.305 ( 5.532 0.000 -1.078) 5.636 7.423 ( 7.555 0.000 -3.149) 8.185 7.432 ( 3.324 0.000 -1.429) 3.618 8.375 ( 3.232 0.000 -24.907) 25.115 8.879 ( 12.184 0.000 -6.886) 13.995 8.909 ( -5.908 0.000 4.628) 7.504 9.026 ( -2.932 0.000 -1.423) 3.259 9.421 ( 6.703 0.000 10.265) 12.260 9.674 ( -9.955 0.000 -8.565) 13.133 9.807 ( -3.138 0.000 13.849) 14.200 10.014 ( 6.761 0.000 3.696) 7.706 10.089 ( -0.123 0.000 10.192) 10.193 10.639 ( -4.602 0.000 13.384) 14.154 10.642 ( -0.854 0.000 1.696) 1.899 11.025 ( -0.264 0.000 8.461) 8.465 11.273 ( 3.075 0.000 -0.189) 3.081 12.316 ( -15.151 0.000 11.429) 18.978 12.405 ( -14.658 0.000 -9.933) 17.707 12.776 ( -2.709 0.000 16.290) 16.514 12.827 ( 5.437 0.000 -11.155) 12.410 14.556 ( 2.805 0.000 -6.312) 6.907 14.880 ( 8.936 0.000 -4.632) 10.065 15.475 ( -0.143 0.000 -9.646) 9.647 15.649 ( 3.061 0.000 -9.883) 10.346 15.751 ( 3.926 0.000 -9.527) 10.304 15.965 ( -1.253 0.000 -9.155) 9.240 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.22 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 13.604 0.000 17.890) 22.474 1.818 ( 21.764 0.000 16.649) 27.402 2.464 ( 4.235 0.000 5.160) 6.675 2.600 ( 12.816 0.000 29.409) 32.080 2.872 ( -1.132 0.000 -1.072) 1.559 2.886 ( 2.532 0.000 21.007) 21.159 3.468 ( -0.875 0.000 0.462) 0.990 4.755 ( 7.756 0.000 23.267) 24.526 4.815 ( 3.433 0.000 36.706) 36.866 5.121 ( -12.347 0.000 11.462) 16.847 5.354 ( -9.391 0.000 11.968) 15.213 5.388 ( -15.808 0.000 0.620) 15.820 5.539 ( -7.592 0.000 20.067) 21.455 5.948 ( 27.403 0.000 11.950) 29.895 6.028 ( -13.064 0.000 12.567) 18.127 6.592 ( 6.004 0.000 -3.408) 6.904 7.348 ( -1.385 0.000 -0.050) 1.385 7.546 ( 6.848 0.000 -5.203) 8.600 7.644 ( 14.695 0.000 -7.155) 16.344 8.428 ( 1.986 0.000 -20.025) 20.123 8.755 ( -10.414 0.000 -6.952) 12.521 8.977 ( -1.251 0.000 8.472) 8.564 9.145 ( 14.218 0.000 -4.705) 14.977 9.387 ( -15.099 0.000 -4.919) 15.880 9.594 ( 6.886 0.000 13.075) 14.777 9.752 ( -3.332 0.000 21.281) 21.541 10.096 ( 0.882 0.000 11.525) 11.559 10.111 ( 2.771 0.000 0.371) 2.796 10.584 ( -0.031 0.000 10.756) 10.756 10.621 ( -1.240 0.000 -0.539) 1.352 11.025 ( 0.666 0.000 10.216) 10.238 11.334 ( 2.516 0.000 3.093) 3.987 12.001 ( -15.728 0.000 15.965) 22.411 12.115 ( -15.239 0.000 -8.111) 17.263 12.762 ( 0.654 0.000 13.647) 13.663 12.876 ( 0.232 0.000 -9.059) 9.062 14.674 ( 9.430 0.000 -6.594) 11.506 15.076 ( 10.787 0.000 -8.314) 13.619 15.437 ( -2.732 0.000 -7.452) 7.937 15.678 ( -0.538 0.000 -9.970) 9.985 15.834 ( 3.436 0.000 -18.802) 19.113 15.930 ( -2.272 0.000 -9.630) 9.894 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.33 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 11.516 0.000 9.834) 15.144 2.110 ( 9.025 0.000 15.467) 17.907 2.582 ( 7.663 0.000 10.488) 12.989 2.653 ( -3.385 0.000 17.397) 17.723 2.908 ( -0.166 0.000 20.618) 20.619 2.927 ( 5.209 0.000 3.927) 6.524 3.677 ( 18.385 0.000 1.070) 18.416 4.829 ( -0.469 0.000 19.693) 19.699 4.980 ( -25.123 0.000 -3.883) 25.421 4.987 ( 9.734 0.000 36.407) 37.686 4.993 ( 5.554 0.000 16.013) 16.949 5.166 ( -10.068 0.000 13.666) 16.974 5.395 ( -7.687 0.000 25.871) 26.989 5.807 ( -10.623 0.000 15.174) 18.522 6.466 ( 24.592 0.000 5.553) 25.211 6.720 ( 9.525 0.000 -3.571) 10.172 7.263 ( -7.475 0.000 -2.286) 7.817 7.604 ( -2.794 0.000 -5.343) 6.030 7.952 ( 16.879 0.000 -7.687) 18.547 8.447 ( 0.092 0.000 -15.633) 15.634 8.551 ( -9.266 0.000 -9.500) 13.271 8.897 ( -11.550 0.000 -0.988) 11.592 9.174 ( -1.649 0.000 11.229) 11.350 9.383 ( 9.445 0.000 -0.280) 9.449 9.666 ( -4.919 0.000 26.937) 27.382 9.707 ( 3.803 0.000 13.535) 14.059 10.124 ( 1.952 0.000 12.204) 12.359 10.141 ( 1.290 0.000 1.370) 1.882 10.603 ( -0.500 0.000 -2.532) 2.581 10.614 ( 1.637 0.000 2.752) 3.202 11.067 ( 4.095 0.000 12.871) 13.507 11.350 ( -0.978 0.000 7.641) 7.704 11.748 ( -10.463 0.000 12.677) 16.437 11.839 ( -13.076 0.000 -5.711) 14.269 12.785 ( 1.545 0.000 8.356) 8.498 12.861 ( -1.275 0.000 -5.764) 5.904 14.895 ( 12.972 0.000 -7.817) 15.146 15.270 ( 9.174 0.000 -10.948) 14.284 15.386 ( -2.675 0.000 -7.507) 7.969 15.631 ( -4.270 0.000 -8.990) 9.953 15.864 ( 0.026 0.000 -20.752) 20.752 15.884 ( -2.370 0.000 -10.732) 10.991 ======================= Grid point 94 (35/120) ======================= q-point: ( 0.44 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 8.085 0.000 4.950) 9.480 2.153 ( -3.709 0.000 5.583) 6.702 2.649 ( 3.318 0.000 26.188) 26.397 2.695 ( 1.456 0.000 22.180) 22.228 2.918 ( 2.916 0.000 11.504) 11.868 2.980 ( -0.888 0.000 5.051) 5.129 4.047 ( 20.440 0.000 -1.901) 20.528 4.486 ( -25.312 0.000 -3.012) 25.491 4.850 ( 4.264 0.000 16.404) 16.949 4.982 ( -8.817 0.000 15.282) 17.643 5.092 ( 7.399 0.000 30.580) 31.462 5.243 ( -8.116 0.000 28.621) 29.749 5.303 ( 16.999 0.000 20.849) 26.901 5.591 ( -12.791 0.000 16.909) 21.202 6.810 ( 13.665 0.000 0.402) 13.671 7.036 ( 21.135 0.000 -3.597) 21.439 7.066 ( -12.686 0.000 -2.239) 12.882 7.410 ( -16.431 0.000 -4.522) 17.042 8.275 ( 16.725 0.000 -6.009) 17.772 8.442 ( -0.242 0.000 -12.694) 12.697 8.444 ( -2.255 0.000 -10.525) 10.764 8.602 ( -16.569 0.000 -4.840) 17.262 9.262 ( 7.795 0.000 17.207) 18.890 9.413 ( -6.256 0.000 13.747) 15.104 9.658 ( 4.276 0.000 17.100) 17.626 9.726 ( -1.687 0.000 13.644) 13.748 10.160 ( 1.419 0.000 10.158) 10.256 10.166 ( 0.846 0.000 5.405) 5.470 10.605 ( 0.677 0.000 -3.016) 3.091 10.621 ( -0.685 0.000 -1.652) 1.788 11.177 ( 6.758 0.000 13.419) 15.025 11.295 ( -4.832 0.000 11.779) 12.731 11.613 ( -3.171 0.000 5.826) 6.633 11.643 ( -6.472 0.000 -1.532) 6.651 12.814 ( 1.385 0.000 2.988) 3.294 12.838 ( -1.147 0.000 -1.765) 2.104 15.139 ( 11.735 0.000 -8.544) 14.516 15.313 ( -5.991 0.000 -8.403) 10.320 15.418 ( 6.332 0.000 -11.380) 13.023 15.529 ( -5.788 0.000 -9.702) 11.298 15.851 ( -0.858 0.000 -13.484) 13.511 15.852 ( -0.789 0.000 -17.879) 17.896 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 15.812 20.725) 26.068 1.299 ( 0.000 5.946 26.207) 26.873 2.284 ( 0.000 -11.733 1.488) 11.827 2.463 ( 0.000 18.553 44.393) 48.114 2.501 ( 0.000 -20.098 9.335) 22.160 3.077 ( 0.000 5.811 7.907) 9.812 3.990 ( 0.000 12.081 -7.271) 14.100 4.606 ( 0.000 6.629 13.346) 14.902 4.785 ( 0.000 2.987 33.946) 34.078 5.070 ( 0.000 -7.473 46.251) 46.851 5.375 ( 0.000 -19.392 -2.710) 19.580 5.527 ( 0.000 -3.796 13.479) 14.003 5.664 ( 0.000 0.911 22.094) 22.113 6.032 ( 0.000 -12.575 3.934) 13.176 6.137 ( 0.000 20.678 -6.328) 21.624 6.555 ( 0.000 7.283 -0.288) 7.289 7.131 ( 0.000 -3.822 -3.191) 4.979 7.341 ( 0.000 -5.717 1.802) 5.994 7.575 ( 0.000 14.099 -6.170) 15.390 8.267 ( 0.000 -6.198 -25.692) 26.429 8.797 ( 0.000 4.428 -4.713) 6.467 8.987 ( 0.000 -0.000 14.601) 14.601 9.128 ( 0.000 7.564 -10.227) 12.720 9.395 ( 0.000 4.547 8.770) 9.878 9.711 ( 0.000 -6.001 -10.912) 12.454 9.816 ( 0.000 -5.500 -2.655) 6.107 9.895 ( 0.000 0.397 18.587) 18.591 10.099 ( 0.000 -0.770 9.176) 9.208 10.590 ( 0.000 -2.267 8.115) 8.425 10.799 ( 0.000 6.333 8.353) 10.482 10.935 ( 0.000 -11.756 5.703) 13.066 11.105 ( 0.000 -6.321 8.275) 10.413 12.424 ( 0.000 -1.979 0.377) 2.015 12.572 ( 0.000 -4.765 -6.556) 8.105 12.917 ( 0.000 6.832 7.536) 10.172 12.918 ( 0.000 17.802 -4.700) 18.412 14.129 ( 0.000 -36.225 12.451) 38.305 14.368 ( 0.000 -15.557 -6.729) 16.950 15.550 ( 0.000 1.811 -8.644) 8.831 15.677 ( 0.000 -2.374 -7.403) 7.774 15.983 ( 0.000 20.312 -13.492) 24.385 16.073 ( 0.000 7.335 -8.432) 11.176 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.11 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 17.466 4.455 21.809) 28.294 1.447 ( 20.091 11.421 16.710) 28.519 2.276 ( 0.743 -12.931 3.973) 13.548 2.533 ( 7.244 16.071 40.218) 43.911 2.593 ( 7.792 -15.667 8.580) 19.489 3.036 ( -3.900 5.148 8.521) 10.692 3.801 ( -14.784 12.985 -3.401) 19.969 4.663 ( 4.261 2.841 20.854) 21.474 4.785 ( 0.612 1.480 36.418) 36.453 5.137 ( -11.760 -16.089 10.975) 22.751 5.308 ( 11.700 -8.663 19.682) 24.480 5.508 ( -3.145 -1.625 13.345) 13.807 5.633 ( -1.739 2.153 21.974) 22.147 5.896 ( -8.291 4.759 1.047) 9.617 6.322 ( 4.243 6.266 2.408) 7.941 6.491 ( 0.682 6.377 -4.577) 7.879 7.156 ( 2.899 -7.887 -3.265) 9.015 7.298 ( -1.639 -5.847 1.519) 6.260 7.712 ( 10.560 14.119 -7.688) 19.235 8.316 ( 3.966 -5.259 -23.636) 24.537 8.909 ( 10.612 2.756 -4.461) 11.837 8.959 ( -2.573 3.544 10.345) 11.234 9.078 ( -5.107 5.362 -7.807) 10.760 9.425 ( 3.012 0.780 9.972) 10.446 9.617 ( -9.673 -5.337 -9.271) 14.423 9.843 ( -4.366 -3.502 17.682) 18.547 9.873 ( 5.600 -2.260 -0.303) 6.047 10.154 ( 4.532 1.711 9.678) 10.823 10.568 ( -1.808 -1.731 9.150) 9.486 10.767 ( -2.730 6.683 7.787) 10.618 10.942 ( 0.465 -9.810 6.285) 11.660 11.130 ( 2.458 -8.196 8.326) 11.939 12.321 ( -10.653 -0.088 1.651) 10.780 12.388 ( -14.800 -1.535 -4.038) 15.418 12.868 ( -2.368 8.241 12.878) 15.471 12.988 ( 3.607 14.012 -7.444) 16.272 14.227 ( 8.528 -27.910 3.526) 29.396 14.503 ( 12.536 -20.450 -6.814) 24.936 15.518 ( -2.091 2.543 -8.572) 9.183 15.683 ( -0.022 -2.407 -7.600) 7.972 15.997 ( 0.841 16.270 -14.690) 21.937 16.064 ( -0.890 7.864 -9.137) 12.088 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.22 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 14.998 4.109 17.193) 23.183 1.919 ( 21.929 8.886 13.943) 27.464 2.348 ( 6.929 -10.411 7.438) 14.550 2.703 ( 7.914 8.511 25.640) 28.152 2.747 ( 7.548 -9.393 10.030) 15.678 2.952 ( -4.073 3.500 9.423) 10.846 3.583 ( -4.712 11.048 1.632) 12.121 4.719 ( -3.714 -9.561 8.999) 13.645 4.821 ( 4.302 0.676 37.557) 37.808 4.896 ( -5.868 -8.594 22.592) 24.873 5.355 ( -7.060 -0.418 14.043) 15.723 5.427 ( -7.777 -1.040 13.353) 15.487 5.621 ( -6.829 5.706 13.541) 16.204 5.853 ( 5.686 -3.341 14.724) 16.133 6.260 ( 2.917 15.255 3.662) 15.958 6.639 ( 7.220 5.097 -4.624) 9.974 7.253 ( 4.817 -13.504 -2.656) 14.581 7.299 ( 3.252 -7.509 -2.725) 8.625 7.904 ( 8.597 13.274 -9.251) 18.322 8.381 ( 2.381 -3.775 -18.701) 19.226 8.846 ( -9.702 7.681 -6.737) 14.089 9.000 ( -1.684 2.076 7.680) 8.132 9.154 ( 13.260 0.745 -2.766) 13.566 9.352 ( -14.061 -3.312 -3.997) 14.988 9.515 ( 3.352 -4.896 12.640) 13.963 9.755 ( -4.504 -5.645 17.006) 18.476 10.001 ( 7.092 2.376 4.454) 8.705 10.232 ( 2.843 3.713 9.792) 10.851 10.549 ( 0.257 -0.799 7.348) 7.396 10.712 ( -2.827 6.079 4.450) 8.047 10.955 ( 1.398 -7.307 8.722) 11.464 11.185 ( 2.781 -10.233 9.641) 14.332 12.054 ( -14.990 3.048 8.027) 17.275 12.109 ( -14.495 -0.469 -7.091) 16.143 12.856 ( 0.797 8.789 12.169) 15.033 13.016 ( -0.543 11.858 -6.960) 13.761 14.430 ( 12.410 -19.463 -3.529) 23.351 14.752 ( 11.574 -22.465 -9.167) 26.883 15.505 ( 1.232 3.877 -9.121) 9.987 15.671 ( -0.890 -1.453 -8.714) 8.879 15.981 ( -2.983 8.985 -12.479) 15.664 16.046 ( -1.059 9.127 -13.556) 16.376 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.629 6.513 9.925) 18.074 2.217 ( 9.246 9.283 14.693) 19.687 2.520 ( 9.663 -5.726 12.133) 16.534 2.737 ( -3.057 6.745 15.229) 16.934 2.849 ( 2.816 -5.429 17.476) 18.515 2.938 ( 3.219 0.956 4.628) 5.718 3.660 ( 10.148 -0.214 2.032) 10.352 4.495 ( -14.708 -22.487 0.952) 26.887 4.903 ( 3.145 0.412 31.717) 31.875 4.976 ( 6.855 -0.811 34.692) 35.372 5.205 ( -6.782 2.733 16.377) 17.935 5.245 ( -6.998 5.623 9.116) 12.794 5.468 ( -6.706 8.514 18.870) 21.761 5.814 ( -6.756 0.092 14.397) 15.903 6.560 ( 20.332 8.985 3.345) 22.479 6.759 ( 8.315 4.112 -4.288) 10.219 7.206 ( -6.614 -5.564 -2.594) 9.024 7.473 ( 8.623 -11.711 -5.774) 15.648 8.003 ( 1.519 5.132 -8.271) 9.852 8.397 ( -0.886 -3.591 -14.113) 14.589 8.664 ( -7.180 8.300 -9.872) 14.762 8.905 ( -11.020 0.706 -3.081) 11.464 9.171 ( 0.153 0.010 12.902) 12.902 9.396 ( 10.068 1.006 0.569) 10.134 9.538 ( -1.822 -7.615 21.422) 22.809 9.695 ( -1.113 -4.763 11.957) 12.919 10.129 ( 6.000 5.241 9.091) 12.088 10.259 ( 0.494 5.472 11.063) 12.352 10.564 ( 0.686 -1.368 0.587) 1.639 10.662 ( -2.507 2.411 0.869) 3.584 11.017 ( 5.356 -4.516 11.649) 13.593 11.225 ( 1.379 -9.132 11.348) 14.632 11.794 ( -11.778 2.634 6.757) 13.832 11.839 ( -13.179 -0.030 -4.812) 14.030 12.884 ( 1.865 9.128 7.275) 11.820 12.988 ( -1.878 10.764 -4.901) 11.975 14.676 ( 12.492 -16.985 -6.731) 22.133 14.912 ( 5.068 -21.596 -9.721) 24.219 15.561 ( 3.727 5.589 -9.494) 11.630 15.675 ( 2.194 1.691 -11.151) 11.490 15.893 ( -5.863 6.013 -11.349) 14.119 16.007 ( -3.303 6.805 -15.561) 17.302 ======================= Grid point 103 (40/120) ======================= q-point: ( 0.44 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 9.593 9.452 4.994) 14.363 2.268 ( -3.460 10.271 6.133) 12.453 2.650 ( 4.027 -0.990 22.920) 23.292 2.703 ( -1.105 0.953 24.844) 24.887 2.914 ( 5.112 0.016 9.290) 10.604 2.985 ( -0.426 0.517 4.126) 4.180 3.886 ( 13.583 -12.746 0.036) 18.627 4.188 ( -17.096 -20.960 0.175) 27.049 4.933 ( 1.185 2.985 21.973) 22.207 4.990 ( -3.295 0.225 19.362) 19.642 5.140 ( 1.965 2.941 30.080) 30.287 5.221 ( -3.352 -0.877 28.592) 28.802 5.468 ( 8.924 12.683 12.868) 20.151 5.662 ( -9.258 5.976 13.000) 17.041 6.817 ( 9.963 0.704 -0.273) 9.992 7.013 ( -6.228 -3.182 -1.213) 7.098 7.102 ( 16.918 4.830 -4.943) 18.275 7.450 ( -12.846 3.020 -5.596) 14.334 8.080 ( 9.678 -11.463 -5.696) 16.047 8.301 ( -10.238 -9.979 -8.693) 16.732 8.617 ( 2.064 9.934 -10.253) 14.425 8.707 ( -7.392 6.510 -8.682) 13.130 9.262 ( 7.116 -0.035 17.673) 19.052 9.404 ( -6.894 -1.303 16.608) 18.029 9.595 ( 6.287 -4.243 11.429) 13.717 9.676 ( -2.137 -4.161 10.489) 11.485 10.221 ( 3.464 6.178 11.333) 13.364 10.259 ( -0.676 6.246 11.503) 13.107 10.577 ( 1.105 -1.916 -2.257) 3.160 10.613 ( -2.490 -1.142 -1.503) 3.125 11.143 ( 6.754 -2.917 12.362) 14.386 11.229 ( -1.631 -5.242 12.168) 13.349 11.624 ( -5.116 0.562 3.753) 6.370 11.638 ( -6.631 -0.449 -1.671) 6.853 12.920 ( 1.805 9.470 2.172) 9.882 12.953 ( -1.717 10.012 -1.941) 10.342 14.874 ( 7.458 -18.578 -8.248) 21.651 14.952 ( -0.845 -20.515 -9.164) 22.484 15.631 ( 4.312 7.663 -9.697) 13.090 15.722 ( -2.521 12.101 -10.441) 16.181 15.814 ( 2.415 -1.369 -14.253) 14.521 15.919 ( -5.712 3.745 -15.443) 16.886 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 20.667 11.889) 23.843 1.554 ( 0.000 17.037 13.709) 21.868 1.949 ( 0.000 -18.385 7.668) 19.920 2.047 ( 0.000 -22.554 9.493) 24.470 2.857 ( 0.000 17.107 32.403) 36.642 3.094 ( 0.000 -5.141 18.622) 19.319 4.327 ( 0.000 19.790 -3.796) 20.150 4.651 ( 0.000 -3.987 19.412) 19.818 4.884 ( 0.000 -8.272 15.608) 17.664 4.898 ( 0.000 -7.597 41.179) 41.874 5.092 ( 0.000 8.605 6.469) 10.765 5.372 ( 0.000 -11.946 7.460) 14.084 5.702 ( 0.000 2.970 22.104) 22.302 5.807 ( 0.000 -8.026 16.651) 18.484 6.504 ( 0.000 13.198 -9.135) 16.051 6.639 ( 0.000 -0.178 -6.181) 6.184 7.107 ( 0.000 1.616 -1.758) 2.388 7.201 ( 0.000 -6.898 0.751) 6.939 7.859 ( 0.000 13.024 -14.642) 19.596 8.098 ( 0.000 -10.059 -21.611) 23.837 8.901 ( 0.000 4.799 1.256) 4.961 8.971 ( 0.000 -1.886 9.585) 9.769 9.320 ( 0.000 10.557 -9.286) 14.060 9.525 ( 0.000 7.653 7.213) 10.516 9.539 ( 0.000 -10.143 -10.199) 14.384 9.684 ( 0.000 -7.301 1.849) 7.531 9.929 ( 0.000 3.310 12.531) 12.960 10.030 ( 0.000 -5.531 10.291) 11.683 10.580 ( 0.000 1.577 10.239) 10.359 10.679 ( 0.000 -9.019 9.902) 13.394 10.924 ( 0.000 5.545 9.091) 10.649 11.020 ( 0.000 -3.851 9.990) 10.706 12.417 ( 0.000 1.371 -1.947) 2.382 12.476 ( 0.000 -4.153 -3.477) 5.417 13.093 ( 0.000 10.046 7.735) 12.679 13.237 ( 0.000 4.779 3.498) 5.923 13.663 ( 0.000 -2.152 4.675) 5.147 13.971 ( 0.000 -21.249 -4.978) 21.824 15.586 ( 0.000 1.927 -8.319) 8.539 15.629 ( 0.000 -2.215 -8.125) 8.421 16.208 ( 0.000 4.687 -8.987) 10.136 16.225 ( 0.000 4.192 -11.505) 12.244 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.11 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 9.039 14.084 15.438) 22.769 1.747 ( 15.668 11.083 7.507) 20.608 1.962 ( 6.082 -10.573 11.736) 16.926 2.224 ( 13.652 -19.490 7.912) 25.077 2.871 ( 1.266 14.380 28.731) 32.154 3.062 ( -3.138 -3.653 16.810) 17.486 4.162 ( -14.126 21.099 -2.615) 25.526 4.595 ( -9.545 -16.643 2.923) 19.407 4.790 ( -1.157 0.102 35.538) 35.557 4.859 ( -1.927 -4.612 35.756) 36.104 5.264 ( 11.311 4.880 11.552) 16.888 5.420 ( 0.934 -7.165 9.392) 11.850 5.693 ( -0.055 3.914 21.549) 21.902 5.811 ( -0.313 -7.537 14.624) 16.455 6.545 ( 2.704 10.098 -6.329) 12.220 6.614 ( 0.385 3.277 -8.943) 9.532 7.063 ( -3.786 -0.418 -1.757) 4.195 7.152 ( -2.593 -7.503 0.173) 7.941 7.975 ( 9.444 11.278 -13.867) 20.216 8.175 ( 6.489 -8.298 -19.815) 22.440 8.971 ( 6.468 2.829 3.002) 7.672 9.004 ( 3.441 0.196 9.173) 9.799 9.245 ( -7.499 10.256 -9.801) 16.046 9.461 ( -8.265 -9.683 -9.893) 16.123 9.480 ( -2.990 5.146 7.334) 9.446 9.638 ( -4.221 -9.862 6.333) 12.458 9.988 ( 6.686 7.239 10.252) 14.220 10.123 ( 7.095 -4.735 10.592) 13.600 10.575 ( -0.285 2.623 10.263) 10.597 10.698 ( 1.795 -9.902 9.330) 13.723 10.903 ( -2.103 6.074 8.921) 10.996 11.014 ( -0.505 -4.847 10.382) 11.469 12.323 ( -9.266 0.638 -2.772) 9.692 12.350 ( -11.500 -1.848 -2.707) 11.958 13.083 ( -0.355 11.960 9.612) 15.348 13.243 ( -0.104 3.400 1.456) 3.701 13.817 ( 13.928 -3.733 1.230) 14.472 14.076 ( 10.177 -20.596 -6.354) 23.835 15.573 ( -0.871 2.723 -8.546) 9.012 15.629 ( -0.132 -2.731 -8.372) 8.807 16.190 ( -1.916 4.976 -9.576) 10.961 16.214 ( -1.242 3.402 -11.658) 12.208 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.22 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 15.674 10.806 13.603) 23.398 2.035 ( 14.843 -9.705 7.687) 19.329 2.207 ( 16.134 9.640 14.112) 23.502 2.492 ( 13.067 -14.374 10.420) 22.044 2.894 ( 0.715 8.106 18.642) 20.341 2.990 ( -3.822 -0.902 11.877) 12.510 3.900 ( -11.484 18.997 1.211) 22.231 4.330 ( -15.215 -21.946 0.222) 26.705 4.853 ( 5.666 2.198 38.274) 38.753 4.877 ( 2.592 0.456 36.371) 36.467 5.341 ( -3.343 -0.112 13.195) 13.613 5.374 ( -4.632 -2.984 13.320) 14.415 5.711 ( -0.944 3.710 16.908) 17.335 5.788 ( -0.357 -3.654 15.630) 16.055 6.580 ( 6.376 14.697 -3.539) 16.407 6.768 ( 11.361 2.331 -9.419) 14.941 7.003 ( -0.925 -5.433 -1.030) 5.606 7.126 ( -1.208 -9.954 -2.973) 10.459 8.137 ( 6.120 9.295 -12.750) 16.924 8.287 ( 4.255 -5.577 -16.128) 17.588 9.015 ( -8.252 6.816 -5.137) 11.871 9.049 ( -2.835 2.086 3.189) 4.750 9.172 ( 7.449 1.543 4.513) 8.845 9.258 ( -9.130 -5.503 -0.207) 10.662 9.459 ( 0.526 0.732 7.839) 7.891 9.568 ( -2.187 -9.117 6.565) 11.446 10.137 ( 7.755 7.611 10.909) 15.397 10.247 ( 5.305 -2.378 11.526) 12.909 10.577 ( 0.358 4.027 7.538) 8.554 10.726 ( -0.223 -9.569 6.377) 11.502 10.870 ( 0.430 6.110 9.744) 11.510 11.012 ( 0.667 -7.137 11.597) 13.634 12.091 ( -14.047 0.790 -0.055) 14.069 12.100 ( -13.743 -0.329 -4.523) 14.472 13.089 ( 0.833 12.286 7.992) 14.680 13.223 ( -1.705 3.315 -0.585) 3.773 14.116 ( 15.934 -4.805 -3.552) 17.017 14.306 ( 12.346 -19.020 -8.147) 24.095 15.574 ( 1.496 2.964 -9.479) 10.043 15.630 ( 0.615 -2.410 -9.286) 9.613 16.134 ( -4.030 5.293 -10.327) 12.284 16.173 ( -3.163 2.043 -12.325) 12.887 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.33 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 16.206 11.175 10.130) 22.139 2.331 ( 15.024 -9.434 9.013) 19.899 2.458 ( 8.982 10.475 18.309) 22.926 2.682 ( 5.655 -9.849 17.618) 20.961 2.889 ( -0.335 5.873 8.192) 10.085 2.951 ( 0.707 -0.415 4.625) 4.698 3.740 ( -5.906 9.227 3.104) 11.387 4.047 ( -14.443 -19.726 2.351) 24.561 4.926 ( 2.590 1.513 32.658) 32.796 4.956 ( 3.336 -1.228 33.720) 33.907 5.248 ( -4.565 1.527 19.121) 19.718 5.273 ( -4.850 -0.737 17.984) 18.641 5.664 ( -1.076 8.320 13.019) 15.488 5.784 ( -0.747 -3.406 13.679) 14.116 6.801 ( 9.473 13.011 -0.105) 16.095 6.905 ( 8.641 10.449 -6.071) 14.856 7.042 ( -2.954 -10.075 -2.814) 10.870 7.182 ( 14.126 -15.207 -6.237) 21.672 8.144 ( -6.896 7.839 -9.898) 14.387 8.296 ( -4.854 -6.405 -12.014) 14.454 8.827 ( -6.781 6.519 -9.478) 13.353 8.908 ( -8.901 -1.304 -7.950) 12.006 9.202 ( 2.713 3.960 17.154) 17.813 9.335 ( 4.821 -7.624 16.884) 19.143 9.477 ( 2.032 2.785 5.162) 6.207 9.571 ( 1.834 -5.940 5.065) 8.019 10.265 ( 5.562 5.886 13.501) 15.743 10.323 ( 2.941 0.360 13.319) 13.645 10.574 ( -0.951 3.012 2.184) 3.840 10.667 ( -4.852 -3.506 3.111) 6.746 10.952 ( 7.020 0.947 10.344) 12.537 11.052 ( 3.584 -7.256 11.956) 14.437 11.827 ( -12.912 0.805 0.193) 12.938 11.837 ( -13.205 -0.216 -2.461) 13.434 13.109 ( 1.212 10.545 3.665) 11.229 13.188 ( -1.799 4.935 -1.891) 5.582 14.387 ( 11.771 -6.578 -6.160) 14.825 14.502 ( 7.509 -15.874 -8.499) 19.509 15.634 ( 4.413 2.438 -10.490) 11.638 15.673 ( 4.424 -1.290 -11.256) 12.163 16.035 ( -6.181 5.783 -10.834) 13.748 16.091 ( -5.400 0.741 -12.851) 13.959 ======================= Grid point 112 (45/120) ======================= q-point: ( 0.44 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 11.298 11.945 7.219) 17.957 2.502 ( -0.916 8.982 5.201) 10.419 2.585 ( 7.031 -4.158 24.154) 25.498 2.685 ( -3.586 -4.263 22.305) 22.990 2.949 ( 5.399 3.396 3.703) 7.375 2.994 ( 1.676 -0.274 1.131) 2.041 3.669 ( -0.139 -4.723 4.541) 6.553 3.787 ( -11.662 -15.343 4.198) 19.724 4.967 ( 1.670 0.953 24.243) 24.319 4.984 ( 0.259 -0.695 23.086) 23.098 5.182 ( -1.550 1.316 30.480) 30.548 5.204 ( -2.937 -0.918 29.491) 29.651 5.704 ( 4.088 8.192 8.629) 12.581 5.764 ( -1.744 2.125 9.109) 9.515 6.846 ( 1.918 2.514 -1.267) 3.406 6.925 ( -5.829 -4.723 -1.439) 7.639 7.262 ( 19.640 10.062 -5.987) 22.865 7.449 ( 6.804 -5.521 -7.162) 11.317 7.944 ( -6.958 0.910 -4.590) 8.386 8.085 ( -14.869 -10.235 -6.302) 19.120 8.782 ( 0.690 5.351 -10.988) 12.241 8.811 ( -2.292 2.566 -10.920) 11.449 9.271 ( 3.952 1.520 19.340) 19.798 9.339 ( -2.707 -4.477 20.475) 21.132 9.551 ( 4.006 0.388 5.483) 6.801 9.593 ( -0.241 -3.346 6.770) 7.555 10.349 ( 2.971 4.547 15.836) 16.742 10.365 ( 1.173 2.960 15.448) 15.772 10.550 ( -0.698 -0.081 -1.312) 1.488 10.578 ( -3.660 -2.020 -0.202) 4.185 11.091 ( 6.028 -1.044 10.500) 12.152 11.125 ( 2.555 -4.074 11.161) 12.153 11.628 ( -6.652 -0.017 0.109) 6.653 11.630 ( -6.977 -0.231 -0.950) 7.046 13.133 ( 1.242 8.546 -0.008) 8.636 13.158 ( -1.396 6.751 -1.879) 7.146 14.550 ( 5.105 -9.507 -7.300) 13.028 14.586 ( 1.243 -12.465 -8.001) 14.864 15.737 ( 6.204 3.291 -11.369) 13.363 15.785 ( 5.274 -1.677 -12.985) 14.116 15.913 ( -5.061 6.057 -10.975) 13.519 15.970 ( -6.911 0.336 -12.794) 14.545 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 0.000 26.643) 26.643 1.796 ( 0.000 0.000 22.563) 22.563 2.487 ( 0.000 0.000 9.322) 9.322 2.867 ( 0.000 0.000 -1.720) 1.720 3.176 ( 0.000 0.000 44.322) 44.322 3.202 ( 0.000 0.000 19.979) 19.979 3.628 ( 0.000 0.000 -13.004) 13.004 4.755 ( 0.000 0.000 11.934) 11.934 5.501 ( 0.000 0.000 25.370) 25.370 5.556 ( 0.000 0.000 -8.874) 8.874 5.877 ( 0.000 0.000 18.298) 18.298 5.880 ( 0.000 0.000 16.140) 16.140 6.066 ( 0.000 0.000 -7.715) 7.715 6.133 ( 0.000 0.000 25.227) 25.227 6.160 ( 0.000 0.000 52.201) 52.201 6.655 ( 0.000 0.000 15.056) 15.056 7.151 ( 0.000 0.000 -4.056) 4.056 7.359 ( 0.000 0.000 0.830) 0.830 7.466 ( 0.000 0.000 4.076) 4.076 7.831 ( 0.000 0.000 -23.610) 23.610 8.616 ( 0.000 0.000 -7.151) 7.151 8.794 ( 0.000 0.000 -13.350) 13.350 9.231 ( 0.000 0.000 2.969) 2.969 9.537 ( 0.000 0.000 9.590) 9.590 9.596 ( 0.000 0.000 -2.114) 2.114 9.766 ( 0.000 0.000 -7.009) 7.009 10.287 ( 0.000 0.000 9.725) 9.725 10.350 ( 0.000 0.000 23.268) 23.268 10.677 ( 0.000 0.000 -0.038) 0.038 10.870 ( 0.000 0.000 6.161) 6.161 11.229 ( 0.000 0.000 12.639) 12.639 11.233 ( 0.000 0.000 1.133) 1.133 12.366 ( 0.000 0.000 -15.792) 15.792 12.441 ( 0.000 0.000 -13.089) 13.089 12.652 ( 0.000 0.000 10.548) 10.548 13.070 ( 0.000 0.000 12.146) 12.146 14.385 ( 0.000 0.000 -7.893) 7.893 14.739 ( 0.000 0.000 -2.317) 2.317 15.258 ( 0.000 0.000 -10.603) 10.603 15.474 ( 0.000 0.000 -9.765) 9.765 15.556 ( 0.000 0.000 -9.271) 9.271 15.776 ( 0.000 0.000 -11.082) 11.082 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 21.079 0.000 19.916) 29.000 1.840 ( 4.363 0.000 20.662) 21.118 2.517 ( 3.259 0.000 10.007) 10.524 2.866 ( 0.103 0.000 -0.480) 0.491 3.205 ( 1.975 0.000 39.275) 39.325 3.240 ( 3.685 0.000 20.242) 20.574 3.536 ( -6.544 0.000 -6.128) 8.965 4.859 ( 8.114 0.000 8.732) 11.920 5.430 ( -5.103 0.000 15.493) 16.312 5.485 ( -7.481 0.000 -8.394) 11.244 5.714 ( -6.977 0.000 29.145) 29.968 5.811 ( -7.282 0.000 14.762) 16.460 6.108 ( -2.597 0.000 25.621) 25.752 6.220 ( 6.530 0.000 48.208) 48.649 6.317 ( 14.477 0.000 -4.773) 15.244 6.542 ( -9.205 0.000 16.149) 18.588 7.263 ( 9.114 0.000 -2.643) 9.490 7.368 ( 2.685 0.000 -2.349) 3.567 7.443 ( -2.253 0.000 2.283) 3.207 7.915 ( 7.261 0.000 -20.936) 22.159 8.726 ( -6.855 0.000 -12.734) 14.462 8.739 ( 12.005 0.000 -7.428) 14.117 9.176 ( -4.744 0.000 1.407) 4.949 9.487 ( -4.717 0.000 -0.027) 4.717 9.689 ( 8.035 0.000 10.352) 13.104 9.810 ( 4.517 0.000 -6.030) 7.535 10.300 ( 1.304 0.000 10.537) 10.618 10.349 ( -0.441 0.000 21.948) 21.953 10.651 ( -2.524 0.000 -0.652) 2.607 10.840 ( -2.927 0.000 7.388) 7.947 11.235 ( 0.862 0.000 12.965) 12.994 11.293 ( 5.778 0.000 2.523) 6.304 12.174 ( -12.564 0.000 -13.117) 18.164 12.539 ( -10.863 0.000 11.727) 15.985 12.573 ( 6.540 0.000 -14.130) 15.570 13.068 ( -0.586 0.000 13.364) 13.377 14.413 ( 3.230 0.000 -7.784) 8.427 14.791 ( 4.994 0.000 -4.292) 6.585 15.262 ( 0.316 0.000 -11.471) 11.476 15.440 ( -2.951 0.000 -11.635) 12.003 15.569 ( 0.636 0.000 -9.928) 9.948 15.761 ( -1.541 0.000 -11.187) 11.293 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 6.197 0.000 16.044) 17.200 2.071 ( 18.727 0.000 10.751) 21.593 2.614 ( 6.908 0.000 11.106) 13.079 2.886 ( 2.378 0.000 2.753) 3.638 3.183 ( -3.391 0.000 21.072) 21.343 3.323 ( 4.276 0.000 21.612) 22.031 3.529 ( 6.853 0.000 10.968) 12.933 4.950 ( 0.745 0.000 3.732) 3.806 5.264 ( -15.925 0.000 -7.719) 17.697 5.432 ( 6.036 0.000 18.316) 19.285 5.616 ( -12.091 0.000 12.259) 17.219 5.649 ( -0.054 0.000 38.270) 38.270 6.040 ( -4.260 0.000 26.987) 27.321 6.370 ( -8.260 0.000 20.850) 22.427 6.401 ( 12.223 0.000 33.843) 35.983 6.528 ( 8.054 0.000 -1.785) 8.249 7.350 ( -4.391 0.000 0.239) 4.397 7.453 ( 6.296 0.000 -3.848) 7.379 7.512 ( 12.419 0.000 -5.858) 13.731 8.053 ( 6.353 0.000 -17.332) 18.459 8.550 ( -10.932 0.000 -11.675) 15.994 9.025 ( 16.609 0.000 -7.089) 18.058 9.048 ( -9.592 0.000 -5.208) 10.915 9.408 ( -1.747 0.000 8.697) 8.871 9.849 ( 7.788 0.000 11.772) 14.115 9.928 ( 7.472 0.000 -3.118) 8.097 10.313 ( -3.815 0.000 19.359) 19.731 10.335 ( 2.136 0.000 11.819) 12.010 10.594 ( -2.981 0.000 -1.557) 3.364 10.773 ( -3.738 0.000 8.307) 9.109 11.271 ( 3.132 0.000 14.279) 14.619 11.423 ( 6.783 0.000 5.832) 8.945 11.932 ( -12.219 0.000 -9.984) 15.779 12.282 ( -15.033 0.000 13.314) 20.081 12.666 ( 3.543 0.000 -11.919) 12.435 13.039 ( -2.424 0.000 13.689) 13.902 14.519 ( 7.970 0.000 -8.815) 11.883 14.909 ( 6.957 0.000 -8.134) 10.704 15.258 ( -1.343 0.000 -10.404) 10.491 15.389 ( -1.606 0.000 -17.110) 17.185 15.560 ( -1.857 0.000 -11.483) 11.632 15.718 ( -2.919 0.000 -11.530) 11.893 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 5.564 0.000 11.132) 12.445 2.278 ( 2.683 0.000 4.834) 5.529 2.776 ( 9.574 0.000 10.890) 14.500 2.962 ( 5.290 0.000 8.029) 9.615 3.185 ( 4.079 0.000 22.040) 22.414 3.381 ( 1.395 0.000 24.461) 24.501 3.724 ( 12.240 0.000 4.786) 13.143 4.880 ( -23.423 0.000 -5.892) 24.153 4.959 ( 1.994 0.000 4.336) 4.773 5.390 ( -11.044 0.000 9.673) 14.681 5.577 ( 7.207 0.000 28.422) 29.322 5.723 ( 7.868 0.000 36.924) 37.753 5.949 ( -5.316 0.000 28.885) 29.370 6.224 ( -7.317 0.000 25.411) 26.444 6.635 ( 9.093 0.000 4.448) 10.123 6.706 ( 14.389 0.000 11.840) 18.635 7.216 ( -8.975 0.000 -2.366) 9.282 7.512 ( -2.106 0.000 -3.603) 4.173 7.812 ( 17.990 0.000 -5.949) 18.948 8.145 ( 3.287 0.000 -14.489) 14.857 8.344 ( -9.445 0.000 -10.980) 14.483 8.809 ( -14.672 0.000 -6.147) 15.907 9.330 ( 14.384 0.000 -4.732) 15.142 9.442 ( 4.700 0.000 13.242) 14.052 9.962 ( 3.621 0.000 11.252) 11.820 10.081 ( 8.084 0.000 2.249) 8.391 10.201 ( -7.368 0.000 16.845) 18.386 10.366 ( 0.621 0.000 11.322) 11.339 10.555 ( -0.709 0.000 -1.388) 1.558 10.701 ( -3.769 0.000 5.882) 6.986 11.356 ( 5.560 0.000 15.758) 16.710 11.523 ( 3.460 0.000 8.642) 9.309 11.730 ( -8.390 0.000 -3.918) 9.260 11.994 ( -14.461 0.000 12.253) 18.954 12.728 ( 3.429 0.000 -7.455) 8.206 12.978 ( -3.839 0.000 10.810) 11.471 14.708 ( 11.272 0.000 -11.023) 15.766 15.043 ( 6.875 0.000 -11.451) 13.356 15.200 ( -4.397 0.000 -11.874) 12.662 15.383 ( -0.378 0.000 -16.074) 16.079 15.503 ( -3.116 0.000 -14.624) 14.953 15.652 ( -3.882 0.000 -12.299) 12.897 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 4.741 0.000 7.346) 8.743 2.245 ( -4.127 0.000 4.663) 6.227 2.953 ( 7.925 0.000 9.326) 12.238 3.034 ( 0.310 0.000 8.950) 8.955 3.286 ( 5.308 0.000 27.209) 27.722 3.367 ( -2.775 0.000 27.438) 27.578 4.005 ( 18.036 0.000 -2.229) 18.174 4.415 ( -24.028 0.000 -4.088) 24.373 5.045 ( 6.617 0.000 6.329) 9.156 5.197 ( -9.122 0.000 7.695) 11.934 5.708 ( 6.872 0.000 30.814) 31.571 5.836 ( -6.400 0.000 30.248) 30.917 5.905 ( 9.897 0.000 34.339) 35.736 6.079 ( -8.194 0.000 29.881) 30.984 6.808 ( 10.208 0.000 -0.267) 10.211 7.019 ( -11.219 0.000 -2.207) 11.434 7.028 ( 17.778 0.000 4.035) 18.230 7.347 ( -14.259 0.000 -1.366) 14.324 8.166 ( 17.608 0.000 -4.827) 18.258 8.188 ( 2.418 0.000 -12.453) 12.685 8.224 ( -3.236 0.000 -11.352) 11.805 8.506 ( -16.824 0.000 -4.623) 17.447 9.537 ( 6.128 0.000 1.043) 6.217 9.544 ( 4.348 0.000 10.153) 11.045 9.997 ( 1.056 0.000 12.443) 12.488 10.057 ( -5.975 0.000 18.287) 19.239 10.233 ( 7.048 0.000 2.810) 7.588 10.340 ( -3.633 0.000 7.655) 8.474 10.571 ( 2.230 0.000 0.284) 2.248 10.630 ( -3.606 0.000 2.613) 4.453 11.470 ( 5.953 0.000 15.716) 16.806 11.560 ( -1.301 0.000 14.521) 14.579 11.629 ( 0.162 0.000 0.543) 0.566 11.751 ( -10.393 0.000 8.051) 13.147 12.805 ( 4.587 0.000 -1.263) 4.757 12.896 ( -4.673 0.000 5.360) 7.111 14.925 ( 10.711 0.000 -13.279) 17.061 15.095 ( -6.918 0.000 -14.198) 15.794 15.172 ( 6.819 0.000 -12.698) 14.413 15.307 ( -6.819 0.000 -11.995) 13.798 15.504 ( 2.834 0.000 -16.537) 16.778 15.574 ( -4.100 0.000 -13.939) 14.529 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 8.784 23.313) 24.913 1.784 ( 0.000 0.050 21.387) 21.387 2.388 ( 0.000 -8.775 10.454) 13.649 2.628 ( 0.000 -17.983 4.914) 18.642 3.300 ( 0.000 9.745 39.406) 40.593 3.312 ( 0.000 8.358 12.812) 15.297 3.828 ( 0.000 16.310 -7.444) 17.928 4.813 ( 0.000 3.904 8.698) 9.534 5.315 ( 0.000 -15.186 -1.803) 15.293 5.508 ( 0.000 0.908 30.205) 30.218 5.727 ( 0.000 -11.978 9.267) 15.144 6.062 ( 0.000 -8.657 45.190) 46.012 6.079 ( 0.000 9.776 11.611) 15.179 6.115 ( 0.000 2.260 7.413) 7.750 6.171 ( 0.000 6.644 21.415) 22.422 6.658 ( 0.000 -0.375 12.291) 12.297 7.087 ( 0.000 -2.557 -1.392) 2.911 7.396 ( 0.000 -6.322 3.773) 7.362 7.483 ( 0.000 8.357 -3.343) 9.001 7.804 ( 0.000 -2.344 -20.901) 21.032 8.684 ( 0.000 6.357 -6.646) 9.196 8.880 ( 0.000 7.689 -13.553) 15.582 9.191 ( 0.000 -4.117 1.350) 4.333 9.495 ( 0.000 -8.344 -8.495) 11.907 9.608 ( 0.000 6.499 11.146) 12.903 9.791 ( 0.000 1.682 1.840) 2.493 10.270 ( 0.000 -5.856 17.995) 18.924 10.298 ( 0.000 0.175 10.148) 10.150 10.696 ( 0.000 0.955 3.883) 3.999 10.948 ( 0.000 6.693 6.329) 9.212 11.026 ( 0.000 -12.767 4.040) 13.391 11.279 ( 0.000 -0.658 10.570) 10.590 12.355 ( 0.000 -3.755 -7.381) 8.281 12.359 ( 0.000 -0.709 -13.649) 13.667 12.899 ( 0.000 18.201 3.506) 18.535 13.115 ( 0.000 4.602 10.919) 11.850 14.231 ( 0.000 -13.922 -6.762) 15.477 14.266 ( 0.000 -30.093 2.792) 30.223 15.349 ( 0.000 2.341 -11.462) 11.698 15.500 ( 0.000 -3.526 -10.385) 10.967 15.740 ( 0.000 17.622 -11.945) 21.289 15.884 ( 0.000 7.578 -10.557) 12.995 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 19.517 6.685 17.829) 27.267 1.835 ( 5.106 0.623 19.535) 20.201 2.418 ( 3.637 -8.672 11.501) 14.856 2.693 ( 5.906 -14.160 3.782) 15.802 3.292 ( -1.999 6.681 19.854) 21.043 3.306 ( 0.253 7.028 29.264) 30.097 3.736 ( -6.904 15.751 -0.983) 17.226 4.861 ( 0.564 -3.758 3.596) 5.232 5.237 ( -2.627 -8.667 4.601) 10.158 5.502 ( -0.436 2.607 25.202) 25.340 5.696 ( -3.990 -5.046 14.524) 15.885 5.939 ( -8.210 5.604 17.215) 19.879 6.128 ( 1.425 -1.908 32.371) 32.458 6.151 ( 2.560 -0.312 32.680) 32.782 6.327 ( 13.747 2.179 -2.326) 14.112 6.569 ( -7.346 1.731 15.141) 16.917 7.107 ( 1.850 -7.228 -1.654) 7.642 7.340 ( -2.970 -6.086 2.692) 7.288 7.581 ( 7.471 9.613 -5.557) 13.383 7.892 ( 7.559 -1.941 -18.740) 20.300 8.791 ( 8.813 4.888 -7.894) 12.802 8.815 ( -4.755 7.980 -11.787) 15.008 9.160 ( -3.618 -2.101 -1.200) 4.353 9.459 ( -3.337 -5.240 -1.850) 6.482 9.605 ( 1.628 -1.538 5.586) 6.018 9.898 ( 8.954 3.926 5.242) 11.093 10.195 ( -4.153 -5.730 16.472) 17.928 10.374 ( 4.308 0.786 11.021) 11.860 10.678 ( -1.720 1.518 4.056) 4.660 10.919 ( -2.946 6.678 6.939) 10.071 11.068 ( 3.956 -12.087 6.332) 14.207 11.299 ( 2.243 -1.765 10.033) 10.431 12.180 ( -11.399 0.751 -11.090) 15.922 12.375 ( -4.857 -6.067 -2.531) 8.173 12.879 ( -1.026 18.401 -1.605) 18.499 13.122 ( 0.029 5.324 12.140) 13.256 14.233 ( 2.771 -16.993 -3.033) 17.482 14.380 ( 8.739 -25.114 -4.943) 27.047 15.320 ( -2.133 2.570 -11.196) 11.684 15.502 ( -0.459 -3.623 -10.614) 11.225 15.724 ( -1.417 16.762 -13.293) 21.440 15.868 ( -1.724 7.432 -10.772) 13.201 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 7.819 2.432 15.159) 17.229 2.130 ( 18.970 4.779 9.237) 21.634 2.539 ( 9.038 -6.350 12.433) 16.631 2.820 ( 6.888 -7.210 3.064) 10.431 3.226 ( -4.197 4.497 18.071) 19.089 3.314 ( 0.827 1.256 24.240) 24.287 3.668 ( 0.779 10.856 9.401) 14.382 4.743 ( -10.563 -17.408 -0.522) 20.369 5.293 ( 3.820 3.966 9.746) 11.194 5.476 ( -3.360 4.050 11.502) 12.649 5.615 ( -2.008 -0.309 30.243) 30.311 5.766 ( -7.912 6.111 20.498) 22.806 6.071 ( -4.193 3.216 26.646) 27.165 6.282 ( 3.457 -4.873 26.763) 27.421 6.477 ( 2.655 4.370 21.621) 22.218 6.556 ( 8.975 2.846 -2.622) 9.774 7.192 ( 7.995 -13.600 -2.449) 15.965 7.279 ( -4.244 -6.638 0.046) 7.879 7.733 ( 7.778 10.397 -7.804) 15.149 8.035 ( 6.435 -1.440 -15.836) 17.154 8.640 ( -10.500 7.711 -11.676) 17.494 9.027 ( -8.613 -1.749 -7.596) 11.617 9.061 ( 14.015 3.101 -5.758) 15.465 9.415 ( -0.083 0.177 10.025) 10.026 9.683 ( 5.842 -8.025 3.041) 10.382 10.048 ( 2.516 -8.101 11.165) 14.022 10.155 ( 3.332 6.595 13.222) 15.147 10.445 ( 2.909 2.829 8.777) 9.669 10.634 ( -2.777 2.269 3.986) 5.361 10.842 ( -4.948 6.217 8.032) 11.297 11.159 ( 5.369 -9.653 11.025) 15.606 11.367 ( 4.553 -4.823 9.585) 11.656 11.950 ( -12.063 1.756 -8.432) 14.822 12.197 ( -12.362 -5.665 5.734) 14.757 12.872 ( 0.018 16.044 -6.528) 17.322 13.102 ( -2.040 5.903 12.211) 13.716 14.343 ( 8.315 -14.909 -5.328) 17.883 14.556 ( 8.792 -23.211 -10.123) 26.805 15.299 ( 0.406 2.958 -11.431) 11.814 15.470 ( -2.658 -1.680 -11.496) 11.918 15.690 ( -2.393 13.380 -15.236) 20.418 15.815 ( -3.816 6.930 -11.506) 13.963 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 7.469 5.387 9.944) 13.554 2.358 ( 4.094 6.590 3.195) 8.391 2.748 ( 11.988 -2.768 11.792) 17.042 2.956 ( 7.185 -2.116 5.598) 9.351 3.197 ( 2.157 1.626 22.038) 22.203 3.330 ( 0.273 -3.172 23.824) 24.036 3.742 ( 6.212 2.010 7.415) 9.880 4.508 ( -14.186 -20.411 0.499) 24.862 5.247 ( -6.084 11.856 2.512) 13.561 5.376 ( -7.028 -0.070 11.042) 13.089 5.645 ( 4.249 4.419 30.091) 30.709 5.753 ( 6.339 2.631 34.304) 34.984 5.981 ( -5.142 3.425 28.475) 29.138 6.216 ( -6.337 -0.862 24.891) 25.699 6.674 ( 7.330 3.858 2.089) 8.543 6.722 ( 15.506 2.073 9.324) 18.212 7.158 ( -8.103 -5.455 -2.024) 9.975 7.381 ( 8.462 -11.436 -2.912) 14.522 7.853 ( 4.666 4.007 -6.620) 9.037 8.122 ( 2.629 -1.744 -13.284) 13.654 8.454 ( -7.395 8.553 -11.048) 15.808 8.790 ( -13.738 -1.733 -7.042) 15.534 9.349 ( 13.714 1.914 -3.715) 14.336 9.464 ( 4.710 2.019 13.015) 13.987 9.795 ( 5.014 -9.018 4.211) 11.144 9.998 ( -4.649 -12.694 17.245) 21.912 10.295 ( 7.740 13.281 8.472) 17.552 10.481 ( 0.870 4.016 6.859) 7.995 10.584 ( -1.927 2.178 4.363) 5.244 10.739 ( -5.569 4.483 7.446) 10.322 11.276 ( 6.799 -7.089 13.856) 16.984 11.448 ( 3.516 -6.494 10.627) 12.941 11.741 ( -9.292 1.202 -3.551) 10.019 11.946 ( -13.144 -3.966 7.722) 15.752 12.879 ( 0.987 12.669 -5.680) 13.919 13.049 ( -3.393 6.335 9.116) 11.608 14.525 ( 9.893 -14.439 -8.406) 19.416 14.691 ( 4.909 -21.022 -12.317) 24.854 15.343 ( 3.797 4.088 -12.124) 13.346 15.427 ( -0.819 1.382 -13.568) 13.663 15.621 ( -4.973 9.894 -15.376) 18.948 15.726 ( -5.340 5.984 -13.043) 15.312 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 5.926 7.827 5.616) 11.310 2.340 ( -4.089 8.400 2.789) 9.750 2.959 ( 9.136 0.433 9.985) 13.541 3.050 ( 0.750 1.213 8.129) 8.254 3.269 ( 3.666 -2.304 25.775) 26.136 3.315 ( -1.578 -4.715 25.254) 25.739 3.910 ( 12.093 -6.953 3.090) 14.288 4.201 ( -17.078 -15.698 1.268) 23.232 5.182 ( 0.234 8.539 5.462) 10.139 5.245 ( -5.700 3.409 7.754) 10.210 5.749 ( 6.158 3.692 30.629) 31.459 5.862 ( -4.266 1.803 32.916) 33.241 5.927 ( 7.372 2.716 30.085) 31.094 6.083 ( -7.616 0.376 28.038) 29.056 6.806 ( 8.010 -0.109 -0.566) 8.031 6.980 ( -9.384 -3.561 -2.469) 10.336 7.067 ( 17.990 3.988 3.099) 18.686 7.369 ( -10.779 1.380 -1.991) 11.048 7.977 ( 9.136 -9.388 -4.406) 13.820 8.120 ( -3.845 -6.068 -9.289) 11.743 8.405 ( 2.628 9.085 -10.860) 14.401 8.543 ( -11.107 2.915 -7.672) 13.810 9.545 ( 5.932 0.919 4.791) 7.680 9.562 ( 3.982 1.658 6.647) 7.923 9.858 ( 1.842 -8.633 7.692) 11.708 9.907 ( -4.098 -10.085 15.484) 18.928 10.416 ( 4.845 12.504 8.337) 15.791 10.477 ( -1.487 7.377 7.852) 10.876 10.576 ( 1.399 0.738 3.735) 4.057 10.638 ( -4.676 2.071 5.265) 7.340 11.408 ( 6.609 -5.445 14.176) 16.562 11.492 ( -0.290 -5.984 14.040) 15.264 11.620 ( -1.468 -0.618 0.373) 1.636 11.720 ( -9.766 -2.745 5.822) 11.697 12.916 ( 2.774 9.527 -1.636) 10.056 12.979 ( -3.692 7.355 3.900) 9.107 14.684 ( 5.931 -16.667 -10.728) 20.689 14.739 ( 0.053 -19.133 -12.123) 22.651 15.405 ( 3.351 7.200 -13.080) 15.302 15.476 ( 2.422 9.171 -13.923) 16.847 15.517 ( -2.569 2.581 -15.372) 15.798 15.615 ( -6.276 4.096 -14.716) 16.514 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 11.199 15.147) 18.837 1.833 ( 0.000 3.365 13.551) 13.963 2.185 ( 0.000 -8.044 16.349) 18.221 2.266 ( 0.000 -14.773 12.899) 19.612 3.468 ( 0.000 5.018 17.271) 17.986 3.471 ( 0.000 4.964 28.429) 28.859 4.227 ( 0.000 22.018 -4.521) 22.477 4.683 ( 0.000 -19.360 -3.216) 19.625 5.201 ( 0.000 7.581 9.736) 12.339 5.449 ( 0.000 -14.103 9.450) 16.976 5.609 ( 0.000 8.849 34.670) 35.782 5.837 ( 0.000 -12.189 39.815) 41.639 6.139 ( 0.000 0.601 19.607) 19.616 6.141 ( 0.000 0.384 14.996) 15.001 6.425 ( 0.000 12.163 6.216) 13.659 6.606 ( 0.000 -5.347 7.065) 8.861 7.102 ( 0.000 4.095 1.208) 4.269 7.237 ( 0.000 -8.172 3.033) 8.717 7.638 ( 0.000 6.309 -8.683) 10.733 7.741 ( 0.000 -3.898 -14.860) 15.363 8.857 ( 0.000 9.851 -5.112) 11.098 9.057 ( 0.000 -8.747 -2.083) 8.991 9.076 ( 0.000 10.617 -13.718) 17.347 9.296 ( 0.000 -10.502 -12.899) 16.634 9.763 ( 0.000 6.703 14.294) 15.788 9.820 ( 0.000 0.557 11.152) 11.166 10.184 ( 0.000 -0.815 12.752) 12.778 10.252 ( 0.000 -4.877 11.761) 12.732 10.715 ( 0.000 1.457 4.236) 4.480 10.796 ( 0.000 -7.652 3.157) 8.278 11.098 ( 0.000 7.143 8.235) 10.901 11.222 ( 0.000 -4.635 10.318) 11.311 12.320 ( 0.000 0.009 -6.982) 6.982 12.337 ( 0.000 -1.265 -9.405) 9.490 13.266 ( 0.000 9.646 8.787) 13.048 13.284 ( 0.000 15.444 2.478) 15.642 13.755 ( 0.000 -15.461 3.568) 15.868 13.876 ( 0.000 -18.517 -4.328) 19.016 15.390 ( 0.000 2.052 -11.351) 11.535 15.437 ( 0.000 -2.582 -11.125) 11.421 15.991 ( 0.000 6.154 -12.177) 13.643 16.010 ( 0.000 3.527 -11.005) 11.557 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.098 5.791 16.026) 19.808 1.914 ( 9.866 4.565 9.733) 14.591 2.245 ( 7.290 -4.021 16.654) 18.619 2.386 ( 10.736 -13.984 9.799) 20.170 3.425 ( -4.171 4.551 17.969) 19.000 3.435 ( -3.581 3.713 26.071) 26.576 4.118 ( -9.224 20.967 -0.946) 22.926 4.566 ( -10.703 -21.201 -2.218) 23.853 5.282 ( 7.429 9.645 12.922) 17.754 5.515 ( 3.853 -11.362 14.807) 19.057 5.625 ( 1.080 9.088 29.127) 30.531 5.845 ( -0.654 -10.863 33.694) 35.408 6.123 ( 1.305 2.587 20.058) 20.266 6.171 ( 1.401 -1.400 20.480) 20.576 6.456 ( 4.226 8.240 1.648) 9.406 6.572 ( -2.742 -2.422 8.478) 9.233 7.050 ( -4.108 2.296 0.631) 4.748 7.178 ( -4.230 -8.561 2.458) 9.860 7.747 ( 8.915 6.206 -9.649) 14.530 7.841 ( 8.454 -3.226 -14.152) 16.797 8.924 ( 4.511 7.547 -7.194) 11.360 9.022 ( -3.008 11.017 -10.816) 15.729 9.075 ( -0.413 -5.759 -5.145) 7.734 9.265 ( -1.022 -11.543 -7.863) 14.004 9.683 ( -4.294 7.157 12.354) 14.910 9.849 ( -0.737 -7.735 14.262) 16.242 10.213 ( 5.528 6.788 11.772) 14.670 10.348 ( 6.920 -4.225 11.188) 13.817 10.711 ( -0.571 2.343 4.474) 5.082 10.819 ( 2.130 -9.185 4.116) 10.288 11.083 ( -1.304 7.625 8.756) 11.683 11.221 ( 0.120 -5.501 10.453) 11.813 12.212 ( -9.272 2.403 -7.412) 12.111 12.277 ( -7.153 -3.872 -4.792) 9.440 13.244 ( -1.837 13.447 1.879) 13.701 13.283 ( -0.910 9.284 7.658) 12.070 13.847 ( 8.679 -12.959 1.300) 15.651 13.948 ( 7.371 -17.768 -6.277) 20.234 15.374 ( -1.276 2.717 -11.369) 11.759 15.433 ( -0.581 -3.062 -11.281) 11.704 15.965 ( -2.568 6.144 -12.572) 14.227 15.989 ( -2.163 3.209 -11.460) 12.096 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 11.129 6.723 12.557) 18.076 2.187 ( 15.477 -2.600 7.273) 17.298 2.456 ( 13.578 2.368 13.232) 19.106 2.621 ( 12.725 -10.680 6.188) 17.728 3.329 ( -5.218 3.857 19.391) 20.448 3.353 ( -4.168 1.236 23.122) 23.527 3.949 ( -7.542 16.656 4.378) 18.801 4.339 ( -12.193 -20.445 0.853) 23.820 5.407 ( 3.549 6.364 15.724) 17.330 5.521 ( -4.208 -3.332 11.179) 12.401 5.646 ( 2.727 6.475 33.053) 33.792 5.785 ( -3.785 -4.484 26.574) 27.214 6.152 ( -1.896 3.731 25.844) 26.180 6.209 ( 2.513 -2.280 25.031) 25.260 6.567 ( 6.592 4.494 5.173) 9.509 6.626 ( 11.166 1.267 -2.382) 11.487 6.994 ( -0.405 -2.546 0.648) 2.658 7.103 ( -3.995 -9.405 0.661) 10.239 7.906 ( 6.673 6.326 -10.597) 14.030 7.996 ( 6.698 -2.688 -13.201) 15.045 8.815 ( -10.444 8.256 -11.506) 17.596 8.955 ( -10.613 -5.230 -10.203) 15.624 9.170 ( 12.784 7.485 -3.599) 15.245 9.343 ( 7.863 -7.840 2.072) 11.295 9.635 ( -0.507 4.433 10.959) 11.832 9.807 ( -2.707 -11.156 15.942) 19.645 10.368 ( 9.220 9.320 11.797) 17.636 10.468 ( 5.080 -0.838 9.081) 10.439 10.685 ( -2.200 4.196 4.461) 6.508 10.848 ( -0.094 -9.606 7.174) 11.990 11.077 ( 1.724 6.467 9.967) 12.005 11.238 ( 1.756 -7.587 10.943) 13.431 12.003 ( -11.814 3.432 -4.804) 13.207 12.088 ( -11.695 -4.791 -0.348) 12.643 13.196 ( -3.020 12.154 -1.709) 12.640 13.246 ( -2.770 5.969 7.448) 9.938 14.049 ( 11.633 -9.016 -3.075) 15.036 14.132 ( 10.765 -15.828 -9.040) 21.169 15.360 ( 0.307 2.935 -11.889) 12.250 15.418 ( -0.616 -2.731 -11.863) 12.189 15.896 ( -4.603 5.793 -13.410) 15.316 15.926 ( -4.430 2.645 -12.530) 13.551 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 10.661 9.726 7.083) 16.076 2.439 ( 9.271 -2.727 2.115) 9.893 2.714 ( 13.240 2.873 11.384) 17.696 2.847 ( 10.924 -7.420 5.527) 14.316 3.252 ( -2.682 2.829 21.522) 21.872 3.291 ( -2.647 -1.180 23.172) 23.353 3.841 ( -3.642 8.684 7.781) 12.216 4.112 ( -11.396 -17.145 4.447) 21.062 5.378 ( -5.037 2.332 11.665) 12.918 5.398 ( -6.943 0.845 9.293) 11.631 5.733 ( 5.318 4.082 31.640) 32.343 5.785 ( 4.061 -0.439 32.574) 32.829 6.086 ( -4.266 5.860 26.889) 27.849 6.180 ( -4.346 -2.974 25.111) 25.657 6.778 ( 3.842 6.207 -3.913) 8.283 6.822 ( 16.149 6.219 1.598) 17.379 7.016 ( -4.117 -6.296 0.372) 7.532 7.116 ( 13.128 -12.487 0.566) 18.127 7.961 ( -2.017 5.828 -8.414) 10.432 8.066 ( -0.143 -3.992 -10.947) 11.653 8.626 ( -7.697 7.259 -10.600) 14.977 8.737 ( -10.689 -3.670 -9.106) 14.514 9.416 ( 11.767 4.636 -1.578) 12.745 9.499 ( 7.475 -0.757 7.051) 10.304 9.659 ( 2.557 -1.793 7.520) 8.142 9.760 ( -2.177 -9.469 16.978) 19.562 10.520 ( 4.034 3.618 9.039) 10.539 10.539 ( 3.995 2.553 7.893) 9.207 10.638 ( -1.879 7.692 5.816) 9.825 10.808 ( -3.356 -2.664 12.492) 13.206 11.163 ( 6.669 0.285 10.271) 12.250 11.287 ( 3.263 -8.536 11.253) 14.497 11.783 ( -10.762 2.884 -1.679) 11.267 11.857 ( -11.904 -4.234 2.013) 12.794 13.141 ( -2.349 9.803 -2.739) 10.446 13.187 ( -3.180 4.820 4.000) 7.024 14.260 ( 9.655 -7.804 -6.394) 13.964 14.316 ( 7.700 -12.979 -9.905) 18.052 15.398 ( 3.623 1.910 -12.960) 13.591 15.427 ( 2.102 -0.898 -13.198) 13.394 15.789 ( -6.479 5.322 -13.888) 16.223 15.823 ( -6.269 2.085 -13.867) 15.360 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 6.252 9.719 1.404) 11.642 2.512 ( -0.828 4.949 -1.227) 5.165 2.966 ( 12.095 1.035 11.754) 16.897 3.041 ( 8.374 -3.818 7.139) 11.648 3.185 ( -4.920 -1.945 21.752) 22.386 3.226 ( -4.882 -4.067 21.481) 22.401 3.819 ( 1.770 -0.412 11.437) 11.580 3.917 ( -8.293 -10.001 9.535) 16.116 5.293 ( -2.540 2.215 8.444) 9.092 5.299 ( -3.001 1.438 8.731) 9.344 5.830 ( 4.736 3.396 32.895) 33.407 5.873 ( 2.300 -0.796 36.351) 36.432 6.021 ( -0.797 4.988 22.216) 22.783 6.083 ( -5.266 -0.964 23.188) 23.798 6.819 ( 2.417 1.861 -1.346) 3.334 6.889 ( -4.649 -4.604 -2.135) 6.882 7.194 ( 16.457 7.947 0.254) 18.277 7.345 ( 4.957 -4.973 -2.391) 7.417 7.869 ( -2.760 0.415 -2.683) 3.872 7.970 ( -8.964 -7.562 -5.008) 12.752 8.554 ( -0.296 4.858 -11.890) 12.847 8.592 ( -4.317 0.973 -11.057) 11.910 9.583 ( 5.308 3.045 5.877) 8.484 9.611 ( 3.245 2.836 4.362) 6.132 9.701 ( 1.237 -6.157 8.614) 10.660 9.725 ( -1.313 -6.669 13.886) 15.460 10.540 ( 0.527 1.102 2.179) 2.498 10.561 ( -1.513 -0.704 2.755) 3.221 10.674 ( 4.040 9.397 16.052) 19.034 10.743 ( -3.346 3.799 16.706) 17.456 11.299 ( 6.493 -3.024 10.295) 12.541 11.348 ( 2.001 -6.700 11.134) 13.148 11.619 ( -4.944 0.819 0.648) 5.053 11.658 ( -8.024 -2.828 2.453) 8.854 13.116 ( -0.151 7.411 -2.221) 7.738 13.135 ( -2.023 5.446 0.232) 5.814 14.393 ( 4.001 -8.823 -8.140) 12.653 14.411 ( 2.088 -10.475 -9.282) 14.151 15.484 ( 5.048 1.882 -13.792) 14.807 15.506 ( 4.708 -0.439 -14.667) 15.410 15.664 ( -5.405 5.186 -14.029) 15.903 15.695 ( -6.606 1.996 -14.651) 16.194 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 0.000 21.958) 21.958 2.124 ( 0.000 0.000 11.531) 11.531 2.802 ( 0.000 0.000 21.428) 21.428 2.872 ( 0.000 0.000 2.251) 2.251 3.373 ( 0.000 0.000 -12.201) 12.201 3.556 ( 0.000 0.000 15.590) 15.590 3.971 ( 0.000 0.000 36.070) 36.070 4.951 ( 0.000 0.000 7.394) 7.394 5.364 ( 0.000 0.000 -10.349) 10.349 5.701 ( 0.000 0.000 4.450) 4.450 5.910 ( 0.000 0.000 -7.347) 7.347 6.199 ( 0.000 0.000 16.332) 16.332 6.538 ( 0.000 0.000 37.972) 37.972 6.604 ( 0.000 0.000 21.224) 21.224 6.975 ( 0.000 0.000 16.146) 16.146 7.080 ( 0.000 0.000 -2.656) 2.656 7.184 ( 0.000 0.000 49.977) 49.977 7.398 ( 0.000 0.000 3.327) 3.327 7.411 ( 0.000 0.000 -18.853) 18.853 7.563 ( 0.000 0.000 5.680) 5.680 8.467 ( 0.000 0.000 -7.802) 7.802 8.540 ( 0.000 0.000 -11.937) 11.937 9.042 ( 0.000 0.000 -15.933) 15.933 9.611 ( 0.000 0.000 -8.623) 8.623 9.696 ( 0.000 0.000 5.868) 5.868 9.720 ( 0.000 0.000 8.032) 8.032 10.470 ( 0.000 0.000 8.964) 8.964 10.659 ( 0.000 0.000 -1.318) 1.318 10.769 ( 0.000 0.000 17.063) 17.063 10.969 ( 0.000 0.000 5.833) 5.833 11.298 ( 0.000 0.000 5.336) 5.336 11.537 ( 0.000 0.000 18.792) 18.792 12.029 ( 0.000 0.000 -17.888) 17.888 12.191 ( 0.000 0.000 -11.647) 11.647 12.877 ( 0.000 0.000 11.889) 11.889 13.301 ( 0.000 0.000 11.180) 11.180 14.242 ( 0.000 0.000 -6.401) 6.401 14.691 ( 0.000 0.000 -2.423) 2.423 15.031 ( 0.000 0.000 -12.228) 12.228 15.236 ( 0.000 0.000 -14.365) 14.365 15.347 ( 0.000 0.000 -11.856) 11.856 15.551 ( 0.000 0.000 -11.452) 11.452 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 11.295 0.000 17.172) 20.554 2.149 ( 2.397 0.000 11.185) 11.439 2.829 ( 2.813 0.000 20.533) 20.725 2.894 ( 2.482 0.000 3.368) 4.183 3.327 ( -3.693 0.000 -8.688) 9.440 3.598 ( 4.208 0.000 15.670) 16.225 3.979 ( 0.478 0.000 33.056) 33.059 4.988 ( 2.716 0.000 4.504) 5.260 5.301 ( -6.742 0.000 -9.933) 12.005 5.576 ( -3.531 0.000 5.364) 6.422 6.106 ( -9.433 0.000 15.312) 17.984 6.133 ( 13.892 0.000 -0.920) 13.922 6.529 ( -0.272 0.000 33.742) 33.743 6.589 ( -1.539 0.000 22.056) 22.109 6.863 ( -5.717 0.000 14.350) 15.447 7.190 ( 0.361 0.000 47.419) 47.421 7.234 ( 9.834 0.000 0.898) 9.875 7.316 ( 0.004 0.000 -3.794) 3.794 7.507 ( -5.576 0.000 3.891) 6.799 7.586 ( 10.108 0.000 -10.475) 14.557 8.482 ( -5.905 0.000 -11.472) 12.902 8.586 ( 11.730 0.000 -7.925) 14.156 9.000 ( -4.380 0.000 -13.925) 14.598 9.607 ( -2.903 0.000 7.329) 7.883 9.665 ( 5.510 0.000 -8.370) 10.021 9.867 ( 8.698 0.000 6.212) 10.688 10.479 ( 0.593 0.000 6.471) 6.499 10.649 ( -0.643 0.000 2.228) 2.319 10.752 ( -2.105 0.000 17.272) 17.400 10.955 ( -1.351 0.000 5.487) 5.651 11.377 ( 7.741 0.000 5.794) 9.669 11.547 ( 1.190 0.000 18.852) 18.890 11.901 ( -9.244 0.000 -14.155) 16.906 12.292 ( 6.905 0.000 -13.621) 15.272 12.778 ( -9.654 0.000 12.258) 15.603 13.310 ( 0.339 0.000 11.349) 11.354 14.265 ( 2.494 0.000 -6.888) 7.326 14.712 ( 2.019 0.000 -3.685) 4.202 15.030 ( 0.114 0.000 -11.930) 11.931 15.175 ( -5.790 0.000 -15.373) 16.427 15.350 ( -0.221 0.000 -12.185) 12.187 15.535 ( -1.624 0.000 -11.410) 11.525 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.073 0.000 10.072) 10.531 2.258 ( 9.861 0.000 7.974) 12.681 2.908 ( 5.358 0.000 18.011) 18.791 2.973 ( 5.922 0.000 5.805) 8.293 3.298 ( 2.601 0.000 -1.452) 2.979 3.703 ( 6.296 0.000 16.486) 17.647 3.975 ( -0.979 0.000 25.588) 25.606 5.021 ( 1.153 0.000 4.014) 4.176 5.099 ( -14.434 0.000 -8.738) 16.873 5.661 ( 11.411 0.000 7.356) 13.577 5.867 ( -14.528 0.000 13.531) 19.853 6.322 ( 5.472 0.000 18.577) 19.367 6.550 ( -2.496 0.000 23.669) 23.800 6.566 ( 4.874 0.000 16.439) 17.146 6.785 ( -2.951 0.000 19.558) 19.779 7.188 ( -0.424 0.000 38.122) 38.125 7.355 ( -7.008 0.000 0.191) 7.010 7.408 ( 4.898 0.000 -0.227) 4.904 7.436 ( 12.286 0.000 1.003) 12.327 7.765 ( 8.184 0.000 -11.201) 13.872 8.327 ( -9.814 0.000 -10.407) 14.304 8.875 ( 17.361 0.000 -7.854) 19.055 8.877 ( -8.293 0.000 -9.858) 12.882 9.596 ( 1.501 0.000 8.044) 8.183 9.810 ( 9.246 0.000 -7.664) 12.009 10.021 ( 6.809 0.000 4.853) 8.361 10.480 ( -0.363 0.000 1.164) 1.220 10.646 ( 0.242 0.000 8.903) 8.906 10.679 ( -5.481 0.000 16.275) 17.173 10.917 ( -2.880 0.000 6.433) 7.048 11.538 ( 6.102 0.000 3.792) 7.184 11.591 ( 3.578 0.000 18.443) 18.787 11.758 ( -3.129 0.000 -5.401) 6.242 12.423 ( 6.995 0.000 -12.272) 14.125 12.536 ( -15.079 0.000 12.228) 19.414 13.292 ( -2.635 0.000 12.004) 12.290 14.341 ( 5.592 0.000 -8.755) 10.388 14.763 ( 3.203 0.000 -6.671) 7.400 15.033 ( -5.985 0.000 -15.131) 16.272 15.053 ( -0.116 0.000 -14.134) 14.135 15.322 ( -3.008 0.000 -12.815) 13.163 15.489 ( -3.177 0.000 -11.337) 11.774 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.420 0.000 8.313) 8.658 2.356 ( 0.812 0.000 3.296) 3.394 3.027 ( 6.761 0.000 14.352) 15.865 3.107 ( 7.078 0.000 7.333) 10.191 3.466 ( 14.333 0.000 4.812) 15.119 3.816 ( 4.957 0.000 18.925) 19.563 3.952 ( -0.789 0.000 17.973) 17.990 4.755 ( -21.028 0.000 -6.585) 22.035 5.060 ( 3.360 0.000 5.702) 6.618 5.585 ( -14.355 0.000 10.606) 17.848 5.937 ( 15.654 0.000 8.892) 18.003 6.399 ( 4.268 0.000 28.112) 28.434 6.489 ( -4.173 0.000 24.771) 25.120 6.700 ( 8.651 0.000 8.956) 12.452 6.733 ( -2.978 0.000 24.299) 24.481 7.180 ( -9.279 0.000 -0.680) 9.304 7.182 ( 0.143 0.000 28.961) 28.961 7.471 ( -0.665 0.000 -0.403) 0.777 7.744 ( 18.611 0.000 0.376) 18.614 7.890 ( 4.884 0.000 -10.913) 11.956 8.136 ( -9.191 0.000 -9.655) 13.330 8.687 ( -11.617 0.000 -5.736) 12.956 9.212 ( 17.107 0.000 -6.790) 18.405 9.646 ( 2.891 0.000 6.956) 7.533 9.996 ( 9.581 0.000 -6.610) 11.640 10.110 ( 2.461 0.000 2.994) 3.875 10.485 ( 1.385 0.000 1.889) 2.343 10.556 ( -6.775 0.000 15.077) 16.529 10.636 ( -1.789 0.000 8.684) 8.866 10.836 ( -5.559 0.000 7.433) 9.282 11.564 ( 0.970 0.000 -2.811) 2.974 11.681 ( 5.506 0.000 17.368) 18.220 11.815 ( 4.733 0.000 10.848) 11.836 12.225 ( -16.817 0.000 10.816) 19.995 12.580 ( 9.956 0.000 -7.131) 12.246 13.200 ( -7.025 0.000 11.537) 13.508 14.474 ( 7.975 0.000 -12.095) 14.487 14.833 ( 4.223 0.000 -9.801) 10.672 14.886 ( -7.384 0.000 -19.436) 20.791 15.107 ( 3.875 0.000 -11.120) 11.776 15.233 ( -6.067 0.000 -13.641) 14.929 15.415 ( -4.556 0.000 -11.376) 12.254 ======================= Grid point 184 (65/120) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 1.930 0.000 6.269) 6.559 2.335 ( -1.948 0.000 4.198) 4.628 3.148 ( 5.223 0.000 10.561) 11.781 3.195 ( 1.109 0.000 8.159) 8.234 3.770 ( 13.481 0.000 16.068) 20.974 3.871 ( 0.201 0.000 22.526) 22.527 3.995 ( 8.300 0.000 5.267) 9.830 4.329 ( -22.423 0.000 -4.507) 22.871 5.158 ( 7.080 0.000 5.470) 8.947 5.335 ( -11.410 0.000 6.935) 13.352 6.205 ( 11.648 0.000 16.254) 19.997 6.382 ( -7.165 0.000 23.245) 24.325 6.511 ( 7.306 0.000 24.654) 25.714 6.649 ( -6.168 0.000 24.106) 24.883 6.880 ( 9.177 0.000 10.643) 14.053 7.026 ( -6.912 0.000 6.104) 9.221 7.219 ( 4.686 0.000 15.388) 16.085 7.367 ( -8.983 0.000 3.470) 9.630 7.957 ( 2.604 0.000 -10.417) 10.738 8.011 ( -3.884 0.000 -9.914) 10.648 8.107 ( 18.457 0.000 -0.899) 18.479 8.431 ( -15.220 0.000 -2.729) 15.462 9.501 ( 12.392 0.000 -3.925) 12.999 9.656 ( -3.294 0.000 1.755) 3.732 10.137 ( 3.674 0.000 -4.088) 5.497 10.139 ( 1.413 0.000 1.125) 1.806 10.461 ( -1.504 0.000 13.882) 13.963 10.498 ( -2.317 0.000 9.284) 9.569 10.617 ( 2.467 0.000 3.435) 4.229 10.716 ( -6.506 0.000 5.910) 8.790 11.662 ( 9.139 0.000 2.927) 9.597 11.778 ( 3.505 0.000 15.389) 15.783 11.854 ( -0.654 0.000 14.419) 14.434 11.920 ( -13.886 0.000 8.539) 16.302 12.799 ( 12.338 0.000 0.842) 12.367 13.027 ( -10.902 0.000 7.797) 13.404 14.627 ( 7.515 0.000 -16.142) 17.805 14.757 ( -6.371 0.000 -19.152) 20.184 14.934 ( 6.571 0.000 -11.594) 13.326 15.078 ( -7.808 0.000 -11.630) 14.007 15.213 ( 5.121 0.000 -12.669) 13.665 15.318 ( -5.483 0.000 -11.694) 12.915 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 3.605 19.593) 19.922 2.106 ( 0.000 -1.412 11.937) 12.020 2.715 ( 0.000 -7.297 21.537) 22.739 2.739 ( 0.000 -10.562 6.906) 12.619 3.435 ( 0.000 9.500 -2.206) 9.752 3.799 ( 0.000 17.626 6.065) 18.641 3.989 ( 0.000 0.346 29.684) 29.686 4.918 ( 0.000 -5.864 1.718) 6.111 5.322 ( 0.000 -1.311 2.725) 3.024 5.751 ( 0.000 5.561 1.347) 5.721 5.800 ( 0.000 -8.853 -1.011) 8.911 6.240 ( 0.000 1.876 10.380) 10.548 6.558 ( 0.000 0.979 28.119) 28.136 6.676 ( 0.000 6.803 29.336) 30.114 6.822 ( 0.000 -11.906 19.620) 22.950 7.069 ( 0.000 0.582 -0.422) 0.719 7.154 ( 0.000 -3.754 40.789) 40.961 7.450 ( 0.000 3.793 0.387) 3.812 7.455 ( 0.000 2.803 -12.631) 12.939 7.491 ( 0.000 -6.047 5.224) 7.992 8.539 ( 0.000 6.540 -8.018) 10.347 8.623 ( 0.000 7.484 -11.899) 14.057 9.003 ( 0.000 -3.767 -15.401) 15.854 9.380 ( 0.000 -14.135 -6.175) 15.425 9.802 ( 0.000 9.779 7.977) 12.620 9.902 ( 0.000 9.485 7.044) 11.815 10.480 ( 0.000 0.847 8.339) 8.382 10.537 ( 0.000 -7.794 7.877) 11.081 10.787 ( 0.000 -0.614 5.739) 5.772 11.062 ( 0.000 7.679 5.892) 9.679 11.127 ( 0.000 -13.793 6.902) 15.424 11.523 ( 0.000 -3.024 13.179) 13.521 12.073 ( 0.000 3.934 -14.326) 14.856 12.190 ( 0.000 0.347 -7.090) 7.099 13.030 ( 0.000 13.470 8.786) 16.082 13.323 ( 0.000 2.438 9.972) 10.266 14.113 ( 0.000 -11.787 -5.037) 12.818 14.271 ( 0.000 -26.708 -1.907) 26.776 15.104 ( 0.000 2.067 -13.295) 13.455 15.273 ( 0.000 -4.464 -12.417) 13.195 15.496 ( 0.000 16.599 -12.925) 21.038 15.663 ( 0.000 7.481 -11.582) 13.788 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.11 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 9.882 2.469 14.899) 18.048 2.143 ( 3.898 -0.397 11.707) 12.345 2.733 ( 2.987 -7.853 17.471) 19.386 2.804 ( 5.424 -7.659 9.926) 13.660 3.408 ( -2.516 9.487 -1.963) 10.009 3.760 ( -2.300 11.445 12.124) 16.830 4.004 ( 0.427 2.197 25.418) 25.516 4.873 ( -5.473 -11.714 -1.380) 13.003 5.337 ( 3.408 5.169 4.862) 7.872 5.645 ( -3.358 5.987 2.269) 7.230 6.019 ( 11.451 -7.184 6.108) 14.834 6.157 ( -6.827 1.322 6.393) 9.446 6.562 ( 0.991 1.714 25.392) 25.469 6.656 ( -2.023 6.494 29.177) 29.959 6.800 ( -1.737 -6.315 18.831) 19.937 7.086 ( 2.166 -5.615 0.949) 6.093 7.145 ( -0.858 -4.377 40.622) 40.866 7.396 ( -2.684 -3.378 2.478) 4.976 7.495 ( 2.724 4.053 -2.798) 5.628 7.606 ( 9.144 1.306 -8.552) 12.588 8.558 ( -4.822 6.355 -11.838) 14.275 8.653 ( 9.698 6.668 -7.740) 14.086 8.966 ( -3.959 -3.318 -13.720) 14.660 9.427 ( 4.775 -13.458 -4.795) 15.064 9.729 ( -3.064 7.612 7.283) 10.972 10.040 ( 9.678 10.648 6.552) 15.811 10.476 ( -1.069 -4.023 11.636) 12.358 10.521 ( -0.958 -3.276 4.146) 5.370 10.784 ( -0.532 -0.447 6.176) 6.215 11.051 ( -1.099 7.945 6.783) 10.505 11.203 ( 7.275 -13.691 7.817) 17.363 11.533 ( 1.155 -3.248 12.729) 13.188 11.961 ( -8.201 5.179 -9.891) 13.853 12.248 ( 2.583 -2.996 -8.122) 9.034 12.948 ( -7.254 14.172 7.251) 17.494 13.343 ( 1.017 3.404 10.393) 10.983 14.138 ( 2.750 -11.407 -5.385) 12.911 14.299 ( 2.832 -26.004 -4.069) 26.473 15.083 ( -1.626 2.108 -12.785) 13.059 15.272 ( -0.726 -4.485 -12.539) 13.337 15.460 ( -3.233 16.701 -13.567) 21.759 15.645 ( -2.045 7.166 -11.661) 13.839 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.22 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 4.772 0.754 9.338) 10.514 2.295 ( 9.627 2.325 6.787) 12.006 2.836 ( 7.625 -5.700 16.151) 18.748 2.930 ( 7.597 -4.552 8.966) 12.603 3.375 ( 0.603 8.075 1.684) 8.271 3.754 ( 1.636 3.361 17.736) 18.125 3.990 ( -1.487 1.903 19.671) 19.818 4.724 ( -9.357 -16.796 -1.261) 19.268 5.379 ( -2.306 15.002 2.457) 15.376 5.669 ( 5.119 1.580 9.078) 10.541 5.937 ( -8.375 5.143 8.692) 13.121 6.245 ( 7.018 -6.172 13.704) 16.587 6.599 ( -1.047 3.022 24.487) 24.695 6.629 ( 3.520 5.900 19.602) 20.771 6.763 ( -2.164 -1.655 19.794) 19.981 7.114 ( -0.913 -7.061 25.455) 26.432 7.203 ( 8.637 -9.326 14.416) 19.220 7.296 ( -6.829 -5.713 2.224) 9.178 7.605 ( 7.404 7.431 -4.829) 11.548 7.772 ( 7.587 0.484 -10.381) 12.867 8.417 ( -9.083 7.575 -10.453) 15.784 8.829 ( -5.132 -3.235 -10.829) 12.412 8.936 ( 13.286 4.498 -6.714) 15.551 9.543 ( 6.471 -9.391 -0.688) 11.425 9.724 ( 2.648 2.271 4.446) 5.651 10.215 ( 7.482 9.377 5.226) 13.085 10.437 ( -2.002 -6.981 13.717) 15.521 10.512 ( -0.214 2.205 0.405) 2.252 10.765 ( -1.400 -0.220 7.229) 7.366 11.017 ( -2.644 8.727 9.352) 13.061 11.370 ( 9.337 -13.007 10.102) 18.931 11.563 ( 1.329 -3.523 8.484) 9.282 11.824 ( -4.761 4.763 -1.588) 6.919 12.237 ( -4.392 -8.999 -2.155) 10.243 12.813 ( -5.326 17.222 1.402) 18.081 13.330 ( -2.760 3.386 10.892) 11.735 14.221 ( 5.814 -10.568 -6.929) 13.910 14.369 ( 4.165 -23.428 -8.631) 25.312 15.066 ( 0.259 2.131 -12.117) 12.305 15.227 ( -3.896 -1.229 -12.832) 13.467 15.394 ( -3.502 13.753 -14.750) 20.468 15.583 ( -4.468 6.238 -11.872) 14.135 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.33 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 3.605 2.747 6.824) 8.192 2.403 ( 1.595 3.635 1.638) 4.294 3.006 ( 9.385 -2.020 14.201) 17.142 3.089 ( 8.622 -2.397 7.978) 11.988 3.465 ( 8.305 1.426 5.829) 10.246 3.789 ( 0.888 -2.652 21.162) 21.346 3.980 ( 1.482 2.593 14.895) 15.192 4.517 ( -12.535 -15.050 0.733) 19.600 5.290 ( -4.748 13.904 2.517) 14.907 5.575 ( -11.899 -0.371 10.158) 15.650 6.026 ( 12.942 7.471 8.132) 17.013 6.345 ( 4.396 -3.172 21.886) 22.547 6.552 ( -2.674 4.189 29.627) 30.041 6.711 ( -1.442 -0.230 17.786) 17.846 6.751 ( 5.598 2.938 15.406) 16.653 7.093 ( -2.940 -7.652 15.844) 17.839 7.150 ( -4.065 -2.608 7.133) 8.614 7.399 ( 7.404 -6.829 7.418) 12.509 7.757 ( 8.701 2.073 -2.649) 9.329 7.887 ( 4.550 -0.111 -10.218) 11.186 8.244 ( -7.615 8.504 -9.737) 15.004 8.652 ( -11.205 -3.250 -6.570) 13.390 9.245 ( 16.190 3.162 -6.129) 17.598 9.642 ( 3.454 -2.480 3.332) 5.402 9.822 ( 6.750 -5.644 0.753) 8.830 10.243 ( -4.879 -5.160 5.484) 8.972 10.458 ( 3.674 7.337 7.817) 11.333 10.534 ( 3.684 5.121 3.552) 7.239 10.729 ( -2.544 -0.024 7.286) 7.718 10.942 ( -5.335 10.353 11.360) 16.269 11.531 ( 6.214 -7.745 6.599) 11.922 11.580 ( 2.916 -4.190 7.208) 8.833 11.798 ( 0.617 -1.832 10.581) 10.757 12.078 ( -11.514 -9.613 5.010) 15.814 12.785 ( 2.658 14.856 -3.295) 15.447 13.235 ( -7.020 2.786 9.569) 12.191 14.349 ( 6.977 -10.459 -9.554) 15.791 14.445 ( 3.386 -19.339 -12.062) 23.042 15.098 ( 2.535 3.155 -12.750) 13.377 15.157 ( -1.790 2.531 -13.050) 13.414 15.317 ( -4.852 9.873 -15.173) 18.741 15.477 ( -6.360 4.777 -12.109) 14.488 ======================= Grid point 193 (70/120) ======================= q-point: ( 0.44 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 2.754 4.197 4.201) 6.546 2.389 ( -2.092 4.638 2.074) 5.495 3.162 ( 6.226 1.087 10.773) 12.490 3.210 ( 2.223 1.055 8.508) 8.856 3.645 ( 9.295 -9.533 9.637) 16.436 3.771 ( -3.208 -8.047 18.725) 20.631 4.061 ( 7.053 3.716 13.052) 15.294 4.260 ( -13.237 -4.650 5.889) 15.215 5.254 ( 1.735 7.152 2.691) 7.836 5.362 ( -9.192 2.139 5.174) 10.763 6.252 ( 9.608 4.327 16.691) 19.739 6.382 ( -3.013 0.683 20.245) 20.479 6.545 ( 3.944 2.291 28.048) 28.416 6.647 ( -4.883 -0.290 24.710) 25.190 6.864 ( 5.346 -1.607 9.096) 10.672 6.972 ( -6.451 -4.976 5.336) 9.739 7.220 ( 8.596 1.398 11.625) 14.525 7.397 ( -7.163 1.790 5.718) 9.338 7.915 ( 5.448 -5.093 -2.328) 7.812 7.950 ( 1.471 -1.661 -7.195) 7.529 8.205 ( 5.830 6.252 -8.675) 12.179 8.416 ( -13.079 -1.261 -4.880) 14.017 9.516 ( 11.415 1.465 -3.774) 12.112 9.655 ( -2.864 -0.354 0.511) 2.930 9.956 ( 7.232 -7.694 2.067) 10.760 10.105 ( -8.240 -7.841 3.853) 12.009 10.534 ( 4.629 5.096 4.938) 8.472 10.611 ( -0.552 6.568 7.576) 10.042 10.695 ( 2.991 6.587 6.738) 9.886 10.818 ( -7.254 11.614 10.420) 17.207 11.636 ( 7.700 -2.520 2.602) 8.509 11.693 ( 5.919 -7.730 14.306) 17.304 11.785 ( -2.553 -6.371 14.027) 15.616 11.840 ( -12.152 -6.370 5.910) 14.939 12.898 ( 8.343 8.337 -0.035) 11.795 13.074 ( -9.388 3.977 5.535) 11.602 14.458 ( 3.861 -12.369 -12.037) 17.686 14.487 ( 0.705 -15.446 -12.900) 20.137 15.124 ( 2.366 7.518 -14.874) 16.833 15.208 ( -4.200 9.641 -14.213) 17.681 15.220 ( 4.520 0.605 -12.882) 13.665 15.348 ( -6.984 2.929 -12.264) 14.414 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 3.596 13.927) 14.383 2.079 ( 0.000 -1.237 11.545) 11.611 2.556 ( 0.000 -5.069 16.289) 17.059 2.568 ( 0.000 -5.410 21.410) 22.083 3.700 ( 0.000 13.771 5.123) 14.693 3.926 ( 0.000 -7.219 16.329) 17.853 4.202 ( 0.000 21.173 2.722) 21.347 4.638 ( 0.000 -19.704 -0.275) 19.706 5.399 ( 0.000 7.984 9.898) 12.716 5.596 ( 0.000 -10.369 5.540) 11.757 5.946 ( 0.000 12.693 2.510) 12.939 6.191 ( 0.000 -8.260 4.409) 9.363 6.560 ( 0.000 -0.140 23.382) 23.383 6.606 ( 0.000 -6.435 23.363) 24.233 6.853 ( 0.000 9.428 31.513) 32.893 7.033 ( 0.000 -7.689 33.461) 34.333 7.146 ( 0.000 6.736 2.848) 7.313 7.317 ( 0.000 -9.106 4.615) 10.209 7.512 ( 0.000 1.754 -3.460) 3.879 7.514 ( 0.000 1.514 -6.907) 7.071 8.710 ( 0.000 9.315 -9.896) 13.590 8.821 ( 0.000 11.429 -11.083) 15.921 8.888 ( 0.000 -7.406 -13.385) 15.297 9.085 ( 0.000 -14.013 -8.549) 16.415 10.035 ( 0.000 9.635 12.602) 15.864 10.062 ( 0.000 5.367 11.689) 12.862 10.415 ( 0.000 -2.006 10.569) 10.758 10.475 ( 0.000 -2.920 10.164) 10.575 10.761 ( 0.000 -0.810 0.541) 0.974 10.841 ( 0.000 -10.771 2.622) 11.085 11.235 ( 0.000 8.678 4.891) 9.962 11.406 ( 0.000 -7.604 7.028) 10.355 12.160 ( 0.000 3.645 -6.935) 7.835 12.199 ( 0.000 -0.169 -3.116) 3.120 13.358 ( 0.000 16.284 5.092) 17.061 13.422 ( 0.000 7.297 7.055) 10.150 13.788 ( 0.000 -17.723 -0.169) 17.724 13.808 ( 0.000 -15.931 -2.433) 16.116 15.145 ( 0.000 2.174 -13.386) 13.562 15.197 ( 0.000 -2.995 -13.065) 13.404 15.743 ( 0.000 6.789 -12.843) 14.527 15.779 ( 0.000 2.739 -12.185) 12.489 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.11 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.979 2.228 10.439) 12.753 2.138 ( 6.459 -0.255 10.913) 12.684 2.601 ( 5.363 -2.864 18.090) 19.084 2.645 ( 7.024 -6.315 17.178) 19.604 3.663 ( -3.572 12.877 5.445) 14.430 3.857 ( -5.871 -4.446 15.158) 16.853 4.170 ( -3.044 15.627 6.574) 17.225 4.544 ( -8.238 -18.782 0.695) 20.521 5.507 ( 10.084 10.259 10.383) 17.741 5.702 ( 6.500 -5.841 8.037) 11.873 5.955 ( 2.755 6.218 1.822) 7.040 6.124 ( -6.222 -5.839 3.146) 9.095 6.576 ( 1.980 0.573 22.952) 23.045 6.640 ( 3.360 -6.530 23.031) 24.174 6.832 ( -2.009 9.352 30.583) 32.044 7.007 ( -2.528 -7.063 27.582) 28.584 7.101 ( -3.102 4.545 9.461) 10.945 7.250 ( -5.046 -8.458 5.057) 11.071 7.589 ( 6.869 3.280 -6.186) 9.809 7.622 ( 8.147 -0.124 -7.330) 10.960 8.704 ( -3.147 7.443 -12.732) 15.080 8.823 ( -0.257 2.351 -11.932) 12.164 8.895 ( 3.187 3.358 -8.757) 9.905 9.139 ( 5.898 -14.001 -6.426) 16.496 9.933 ( -4.881 11.113 11.832) 16.950 10.131 ( 0.882 -5.571 12.981) 14.153 10.435 ( 4.697 6.225 10.565) 13.131 10.531 ( 3.561 -0.197 6.907) 7.773 10.762 ( -0.051 0.107 0.703) 0.713 10.897 ( 5.481 -13.420 4.767) 15.260 11.235 ( 0.109 9.016 6.030) 10.847 11.412 ( 0.709 -7.855 7.774) 11.075 12.082 ( -6.542 5.936 -4.341) 9.843 12.183 ( -3.021 -3.754 -3.134) 5.748 13.278 ( -5.694 16.240 2.730) 17.425 13.443 ( -0.746 4.026 7.683) 8.706 13.827 ( 4.982 -15.146 -4.714) 16.627 13.868 ( 5.363 -13.750 -0.243) 14.761 15.131 ( -1.143 2.610 -13.115) 13.421 15.191 ( -0.702 -3.325 -13.025) 13.461 15.710 ( -3.344 7.007 -13.163) 15.282 15.753 ( -2.780 2.331 -12.391) 12.911 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.22 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 7.097 3.437 6.907) 10.482 2.311 ( 9.444 -1.496 4.901) 10.745 2.753 ( 9.995 -0.716 16.086) 18.952 2.814 ( 10.066 -5.559 13.645) 17.844 3.591 ( -3.051 10.968 7.099) 13.417 3.757 ( -3.795 -4.211 15.747) 16.736 4.101 ( -3.608 9.740 10.494) 14.765 4.378 ( -8.417 -16.210 3.696) 18.635 5.647 ( -1.845 9.380 10.060) 13.878 5.717 ( -2.663 1.575 10.833) 11.266 6.028 ( 2.053 3.488 2.830) 4.939 6.113 ( 9.936 -5.680 6.495) 13.160 6.636 ( 3.200 1.932 22.373) 22.683 6.711 ( 2.797 -4.075 20.085) 20.684 6.793 ( -0.964 8.714 25.799) 27.248 6.954 ( -2.583 -6.957 19.428) 20.797 7.082 ( 2.331 -1.478 17.245) 17.464 7.156 ( -4.050 -6.867 5.630) 9.760 7.724 ( 6.562 4.045 -7.709) 10.902 7.772 ( 6.916 -0.833 -9.240) 11.572 8.587 ( -8.152 8.129 -11.166) 16.038 8.734 ( -7.648 -5.993 -11.437) 15.007 9.076 ( 13.257 9.242 -5.426) 17.048 9.302 ( 10.386 -12.130 -4.649) 16.632 9.870 ( -1.759 10.040 10.892) 14.917 10.102 ( -2.792 -11.901 12.832) 17.723 10.574 ( 3.019 5.591 4.274) 7.657 10.585 ( 7.024 6.714 8.411) 12.851 10.754 ( -0.521 4.098 2.096) 4.632 11.022 ( 6.466 -15.098 9.509) 18.978 11.252 ( 2.200 8.504 7.867) 11.792 11.438 ( 1.995 -8.252 8.848) 12.263 11.939 ( -7.954 6.362 -0.879) 10.224 12.077 ( -7.800 -7.035 -0.360) 10.510 13.170 ( -5.286 16.308 -0.490) 17.150 13.380 ( -5.334 -1.652 5.915) 8.134 13.966 ( 8.699 -10.102 -7.350) 15.223 13.999 ( 7.956 -10.660 -1.900) 13.437 15.116 ( -0.100 2.612 -12.767) 13.031 15.171 ( -1.155 -2.836 -12.964) 13.320 15.623 ( -5.554 6.938 -13.964) 16.552 15.674 ( -5.416 1.650 -12.931) 14.116 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.33 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 5.327 5.245 2.748) 7.965 2.447 ( 4.233 -0.791 -0.594) 4.347 2.968 ( 12.155 -0.335 13.825) 18.411 3.014 ( 10.737 -3.965 11.123) 15.960 3.555 ( -1.625 6.678 9.055) 11.368 3.698 ( -3.690 -6.265 15.475) 17.098 4.066 ( 0.863 6.112 14.218) 15.500 4.241 ( -5.216 -11.117 9.297) 15.402 5.508 ( -8.958 6.507 4.516) 11.957 5.571 ( -10.506 -0.648 8.187) 13.335 6.190 ( 10.676 7.187 10.329) 16.502 6.290 ( 8.122 -2.825 15.637) 17.845 6.634 ( -2.939 4.219 27.652) 28.126 6.705 ( -2.931 -0.944 22.435) 22.646 6.821 ( 1.473 2.871 11.881) 12.311 6.913 ( -2.184 -7.998 8.092) 11.585 7.126 ( 4.511 1.747 11.910) 12.855 7.235 ( 10.662 -7.863 13.530) 18.936 7.820 ( 3.065 3.388 -5.731) 7.329 7.874 ( 3.534 -1.551 -8.393) 9.238 8.422 ( -8.203 7.973 -9.751) 15.032 8.560 ( -9.922 -5.579 -8.423) 14.161 9.343 ( 13.559 6.369 -4.795) 15.730 9.501 ( 9.468 -8.617 -3.570) 13.290 9.857 ( 0.164 6.577 8.911) 11.076 10.038 ( -4.026 -10.492 10.292) 15.239 10.583 ( 0.179 4.706 2.253) 5.221 10.676 ( -0.538 -3.997 5.195) 6.576 10.816 ( 7.965 17.445 9.538) 21.418 11.100 ( 1.075 -3.121 14.900) 15.261 11.339 ( 6.830 -1.286 7.323) 10.096 11.482 ( 2.553 -7.947 8.259) 11.742 11.794 ( -6.999 2.756 3.400) 8.255 11.902 ( -9.968 -7.188 2.360) 12.514 13.089 ( -2.780 13.233 -2.265) 13.711 13.260 ( -6.692 -2.408 3.229) 7.811 14.129 ( 7.591 -7.470 -8.322) 13.516 14.149 ( 7.012 -8.380 -4.917) 11.982 15.140 ( 2.732 1.544 -12.990) 13.364 15.164 ( 0.988 -0.744 -13.186) 13.244 15.503 ( -6.948 6.120 -14.751) 17.416 15.551 ( -7.311 1.241 -13.611) 15.500 ======================= Grid point 202 (75/120) ======================= q-point: ( 0.44 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.768 4.794 -0.563) 5.565 2.478 ( -0.393 2.383 -1.966) 3.115 3.182 ( 8.867 0.938 11.038) 14.190 3.211 ( 7.774 -1.364 9.713) 12.515 3.503 ( -2.127 -1.852 10.680) 11.046 3.582 ( -7.939 -8.319 12.581) 17.045 4.127 ( 4.192 2.834 18.444) 19.125 4.184 ( -1.816 -2.891 17.015) 17.354 5.373 ( -3.755 3.559 1.329) 5.342 5.398 ( -6.189 0.755 2.681) 6.787 6.359 ( 6.692 5.145 18.234) 20.093 6.412 ( 3.009 0.870 16.146) 16.447 6.576 ( -1.262 1.356 31.950) 32.003 6.628 ( -4.608 -2.145 27.013) 27.487 6.830 ( 0.615 -0.847 5.298) 5.400 6.861 ( -2.591 -4.234 1.374) 5.151 7.294 ( 10.121 5.257 9.655) 14.943 7.392 ( 2.402 -2.998 7.773) 8.671 7.851 ( 1.635 -0.111 1.008) 1.924 7.896 ( -1.420 -3.332 -2.353) 4.319 8.321 ( -1.215 4.523 -11.440) 12.362 8.385 ( -7.323 -1.936 -9.494) 12.146 9.561 ( 8.355 2.837 -3.483) 9.486 9.624 ( 2.255 -2.802 -2.661) 4.474 9.874 ( 2.058 0.212 6.438) 6.762 9.948 ( -5.064 -6.298 6.866) 10.604 10.600 ( 1.757 2.554 4.481) 5.449 10.642 ( -2.280 -1.193 5.476) 6.050 10.967 ( 6.958 14.726 12.917) 20.787 11.071 ( -3.714 8.635 15.299) 17.955 11.484 ( 7.477 -8.147 8.004) 13.650 11.541 ( 3.086 -9.280 7.788) 12.502 11.673 ( -4.943 -0.955 5.477) 7.439 11.720 ( -8.252 -4.602 3.652) 10.130 13.075 ( 1.483 7.299 -1.747) 7.650 13.142 ( -5.212 1.103 0.451) 5.346 14.235 ( 3.171 -6.762 -8.120) 11.032 14.243 ( 2.406 -7.186 -6.894) 10.245 15.208 ( 4.335 1.893 -13.882) 14.666 15.227 ( 4.388 -0.167 -13.203) 13.914 15.372 ( -5.524 5.097 -15.136) 16.899 15.407 ( -7.130 1.444 -14.245) 15.995 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 0.000 12.617) 12.617 2.304 ( 0.000 0.000 7.423) 7.423 2.942 ( 0.000 0.000 3.055) 3.055 3.182 ( 0.000 0.000 -5.203) 5.203 3.256 ( 0.000 0.000 23.117) 23.117 3.815 ( 0.000 0.000 10.719) 10.719 4.592 ( 0.000 0.000 26.690) 26.690 5.043 ( 0.000 0.000 2.329) 2.329 5.158 ( 0.000 0.000 -10.214) 10.214 5.785 ( 0.000 0.000 -5.270) 5.270 5.786 ( 0.000 0.000 4.225) 4.225 6.525 ( 0.000 0.000 16.570) 16.570 6.871 ( 0.000 0.000 2.882) 2.882 7.088 ( 0.000 0.000 -13.661) 13.661 7.119 ( 0.000 0.000 9.123) 9.123 7.222 ( 0.000 0.000 30.215) 30.215 7.250 ( 0.000 0.000 10.986) 10.986 7.493 ( 0.000 0.000 6.221) 6.221 7.680 ( 0.000 0.000 5.827) 5.827 8.089 ( 0.000 0.000 39.132) 39.132 8.321 ( 0.000 0.000 -5.148) 5.148 8.337 ( 0.000 0.000 -8.441) 8.441 8.719 ( 0.000 0.000 -15.688) 15.688 9.432 ( 0.000 0.000 -9.299) 9.299 9.755 ( 0.000 0.000 0.133) 0.133 9.808 ( 0.000 0.000 0.973) 0.973 10.648 ( 0.000 0.000 0.646) 0.646 10.649 ( 0.000 0.000 9.015) 9.015 10.915 ( 0.000 0.000 1.091) 1.091 11.203 ( 0.000 0.000 14.472) 14.472 11.422 ( 0.000 0.000 6.288) 6.288 11.682 ( 0.000 0.000 -16.736) 16.736 11.971 ( 0.000 0.000 25.003) 25.003 12.002 ( 0.000 0.000 -7.038) 7.038 13.110 ( 0.000 0.000 11.422) 11.422 13.512 ( 0.000 0.000 10.317) 10.317 14.136 ( 0.000 0.000 -4.273) 4.273 14.646 ( 0.000 0.000 -2.136) 2.136 14.781 ( 0.000 0.000 -13.071) 13.071 14.910 ( 0.000 0.000 -18.419) 18.419 15.094 ( 0.000 0.000 -13.601) 13.601 15.335 ( 0.000 0.000 -10.188) 10.188 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 4.161 0.000 9.816) 10.662 2.320 ( 1.562 0.000 6.804) 6.981 2.977 ( 3.691 0.000 3.037) 4.780 3.191 ( 1.451 0.000 -2.971) 3.306 3.263 ( 0.737 0.000 22.113) 22.126 3.856 ( 4.189 0.000 10.525) 11.328 4.535 ( -5.842 0.000 22.707) 23.446 5.050 ( 1.689 0.000 2.307) 2.859 5.104 ( -5.825 0.000 -9.717) 11.329 5.672 ( -0.312 0.000 4.152) 4.164 6.083 ( 18.082 0.000 -1.884) 18.180 6.413 ( -10.791 0.000 15.472) 18.863 6.901 ( 2.128 0.000 6.700) 7.030 7.083 ( -1.166 0.000 11.073) 11.134 7.088 ( -0.644 0.000 2.832) 2.904 7.234 ( 2.869 0.000 15.906) 16.163 7.334 ( 6.020 0.000 7.817) 9.867 7.534 ( 3.981 0.000 3.343) 5.199 7.586 ( -8.908 0.000 3.865) 9.710 8.080 ( -1.497 0.000 40.200) 40.228 8.288 ( -4.991 0.000 -7.972) 9.405 8.436 ( 11.674 0.000 -6.802) 13.511 8.726 ( 0.092 0.000 -12.875) 12.875 9.489 ( 5.889 0.000 -9.126) 10.861 9.697 ( -2.005 0.000 1.609) 2.571 9.915 ( 6.958 0.000 -0.961) 7.024 10.542 ( -4.325 0.000 1.776) 4.675 10.774 ( 5.765 0.000 8.675) 10.416 10.929 ( 1.047 0.000 2.105) 2.351 11.154 ( -4.779 0.000 13.329) 14.159 11.491 ( 5.067 0.000 3.461) 6.136 11.638 ( -1.007 0.000 -10.802) 10.849 11.979 ( 0.788 0.000 24.643) 24.656 12.066 ( 5.656 0.000 -8.644) 10.330 13.011 ( -9.924 0.000 10.983) 14.803 13.523 ( 0.774 0.000 10.463) 10.492 14.149 ( 1.330 0.000 -4.777) 4.959 14.646 ( -0.028 0.000 -2.993) 2.993 14.792 ( 1.028 0.000 -12.621) 12.662 14.834 ( -7.193 0.000 -18.660) 19.999 15.094 ( -0.483 0.000 -13.553) 13.561 15.322 ( -1.377 0.000 -9.986) 10.080 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 1.677 0.000 5.381) 5.636 2.380 ( 3.140 0.000 4.424) 5.425 3.085 ( 7.656 0.000 4.072) 8.671 3.267 ( 7.246 0.000 0.036) 7.246 3.285 ( 1.615 0.000 19.255) 19.323 3.968 ( 7.247 0.000 10.433) 12.703 4.401 ( -6.903 0.000 16.988) 18.337 4.929 ( -12.606 0.000 -8.310) 15.099 5.109 ( 3.602 0.000 4.581) 5.827 5.762 ( 9.476 0.000 3.433) 10.078 6.147 ( -16.378 0.000 14.443) 21.836 6.424 ( 16.584 0.000 2.129) 16.720 6.926 ( 0.210 0.000 12.702) 12.704 7.066 ( -0.824 0.000 20.466) 20.482 7.100 ( 2.005 0.000 12.666) 12.824 7.358 ( -9.092 0.000 0.387) 9.100 7.362 ( 9.862 0.000 1.772) 10.020 7.461 ( 2.589 0.000 5.528) 6.105 7.627 ( 5.372 0.000 -1.085) 5.481 8.032 ( -3.083 0.000 36.510) 36.639 8.155 ( -8.630 0.000 -6.824) 11.002 8.698 ( -3.307 0.000 -7.843) 8.512 8.729 ( 17.838 0.000 -6.537) 18.998 9.645 ( 9.936 0.000 -8.733) 13.228 9.696 ( 1.498 0.000 2.209) 2.669 10.033 ( 4.791 0.000 -3.019) 5.663 10.493 ( -0.407 0.000 1.532) 1.585 10.839 ( 0.403 0.000 8.945) 8.954 10.919 ( -3.526 0.000 6.880) 7.731 11.052 ( -4.726 0.000 8.508) 9.732 11.482 ( -1.908 0.000 -6.462) 6.738 11.807 ( 14.315 0.000 7.018) 15.943 12.003 ( 1.857 0.000 23.107) 23.181 12.204 ( 9.345 0.000 -9.270) 13.163 12.753 ( -16.416 0.000 9.544) 18.989 13.521 ( -1.621 0.000 11.545) 11.658 14.188 ( 2.808 0.000 -6.542) 7.119 14.645 ( 0.078 0.000 -5.251) 5.251 14.653 ( -10.327 0.000 -21.178) 23.562 14.834 ( 2.864 0.000 -10.472) 10.856 15.061 ( -3.080 0.000 -13.141) 13.497 15.282 ( -2.800 0.000 -9.450) 9.856 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.871 0.000 3.940) 4.035 2.408 ( 0.039 0.000 1.911) 1.911 3.248 ( 8.067 0.000 6.661) 10.462 3.323 ( 2.203 0.000 15.057) 15.217 3.480 ( 15.096 0.000 -1.371) 15.158 4.116 ( 7.714 0.000 11.495) 13.844 4.306 ( -2.751 0.000 15.977) 16.213 4.628 ( -18.564 0.000 -6.187) 19.568 5.170 ( 3.077 0.000 5.010) 5.879 5.809 ( -18.301 0.000 11.787) 21.768 6.014 ( 16.057 0.000 0.793) 16.076 6.697 ( 11.781 0.000 8.185) 14.345 6.885 ( -6.251 0.000 14.370) 15.671 7.051 ( -6.973 0.000 4.671) 8.393 7.085 ( 3.423 0.000 22.263) 22.525 7.284 ( 3.682 0.000 13.861) 14.341 7.505 ( 0.308 0.000 4.240) 4.251 7.545 ( 6.361 0.000 3.705) 7.362 7.738 ( 6.137 0.000 -2.140) 6.499 7.978 ( -9.036 0.000 -6.024) 10.860 7.996 ( 1.290 0.000 25.016) 25.049 8.594 ( -7.682 0.000 -3.629) 8.496 9.082 ( 18.422 0.000 -5.865) 19.333 9.721 ( -0.110 0.000 1.206) 1.211 9.849 ( 10.771 0.000 -8.015) 13.426 10.085 ( 0.955 0.000 -4.418) 4.521 10.539 ( 5.240 0.000 3.427) 6.261 10.784 ( -5.536 0.000 5.493) 7.799 10.793 ( -7.971 0.000 9.547) 12.437 10.972 ( -4.936 0.000 5.825) 7.635 11.522 ( 6.680 0.000 -1.026) 6.758 12.036 ( 7.993 0.000 10.542) 13.230 12.051 ( 3.097 0.000 20.201) 20.437 12.407 ( -19.135 0.000 7.475) 20.543 12.461 ( 17.812 0.000 -4.666) 18.413 13.432 ( -8.418 0.000 11.962) 14.627 14.253 ( 3.830 0.000 -9.782) 10.505 14.474 ( -7.542 0.000 -21.867) 23.131 14.655 ( 1.221 0.000 -8.255) 8.345 14.895 ( 2.179 0.000 -12.461) 12.650 14.983 ( -3.719 0.000 -9.771) 10.455 15.215 ( -4.204 0.000 -8.725) 9.685 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.421 0.000 2.883) 2.914 2.399 ( -0.598 0.000 2.107) 2.190 3.353 ( 2.650 0.000 7.675) 8.120 3.360 ( 1.323 0.000 10.597) 10.680 3.828 ( 20.524 0.000 -2.381) 20.661 4.221 ( -9.410 0.000 5.932) 11.124 4.256 ( -7.560 0.000 4.229) 8.662 4.284 ( -0.518 0.000 16.198) 16.206 5.260 ( 7.465 0.000 4.769) 8.859 5.479 ( -15.226 0.000 7.549) 16.994 6.341 ( 17.439 0.000 0.864) 17.460 6.660 ( -15.381 0.000 4.567) 16.044 6.868 ( 6.245 0.000 13.243) 14.642 6.958 ( -3.782 0.000 12.154) 12.729 7.209 ( 9.046 0.000 18.471) 20.567 7.354 ( -1.677 0.000 21.011) 21.078 7.479 ( 0.787 0.000 7.534) 7.575 7.558 ( -3.764 0.000 13.425) 13.942 7.808 ( 1.569 0.000 -1.879) 2.448 7.850 ( -3.854 0.000 -5.686) 6.869 8.152 ( 13.156 0.000 5.873) 14.407 8.404 ( -12.055 0.000 -0.126) 12.056 9.410 ( 15.318 0.000 -4.673) 16.015 9.644 ( -8.500 0.000 -2.174) 8.773 10.027 ( 6.898 0.000 -6.461) 9.452 10.092 ( -0.500 0.000 -4.437) 4.465 10.668 ( -3.921 0.000 7.662) 8.607 10.671 ( 0.482 0.000 7.168) 7.184 10.681 ( 3.791 0.000 3.013) 4.843 10.844 ( -8.217 0.000 6.141) 10.259 11.727 ( 14.145 0.000 3.173) 14.497 12.039 ( -17.339 0.000 7.070) 18.725 12.112 ( 1.264 0.000 14.859) 14.913 12.120 ( 1.496 0.000 12.639) 12.728 12.837 ( 20.116 0.000 2.604) 20.283 13.193 ( -16.254 0.000 8.427) 18.309 14.322 ( 3.017 0.000 -14.022) 14.343 14.375 ( -3.248 0.000 -18.696) 18.976 14.707 ( 4.551 0.000 -11.400) 12.275 14.822 ( -6.771 0.000 -14.165) 15.700 15.022 ( 5.084 0.000 -6.893) 8.565 15.123 ( -5.230 0.000 -7.903) 9.477 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.000 0.550 11.742) 11.754 2.297 ( 0.000 -0.562 7.977) 7.997 2.901 ( 0.000 -2.649 8.668) 9.064 3.168 ( 0.000 -7.630 23.059) 24.289 3.341 ( 0.000 14.453 -4.466) 15.128 3.958 ( 0.000 12.848 7.832) 15.048 4.422 ( 0.000 -13.767 12.706) 18.734 4.935 ( 0.000 -7.347 1.928) 7.596 5.397 ( 0.000 13.882 4.479) 14.587 5.745 ( 0.000 -3.607 -3.480) 5.012 5.765 ( 0.000 1.072 1.110) 1.543 6.488 ( 0.000 -4.461 13.300) 14.028 6.921 ( 0.000 3.443 6.972) 7.776 6.999 ( 0.000 -5.688 -0.928) 5.764 7.079 ( 0.000 -1.047 7.717) 7.787 7.307 ( 0.000 3.072 1.917) 3.621 7.320 ( 0.000 7.388 29.008) 29.934 7.506 ( 0.000 1.251 5.044) 5.197 7.611 ( 0.000 -5.906 6.267) 8.612 7.980 ( 0.000 -8.766 35.406) 36.475 8.381 ( 0.000 5.137 -6.431) 8.231 8.429 ( 0.000 7.693 -7.494) 10.739 8.691 ( 0.000 -2.646 -15.108) 15.338 9.233 ( 0.000 -14.455 -8.136) 16.587 9.912 ( 0.000 14.289 3.318) 14.669 9.986 ( 0.000 12.448 0.904) 12.480 10.629 ( 0.000 -1.561 3.272) 3.625 10.640 ( 0.000 -0.716 8.012) 8.044 10.872 ( 0.000 -5.315 2.196) 5.751 11.171 ( 0.000 0.471 3.412) 3.444 11.292 ( 0.000 -12.358 8.870) 15.212 11.706 ( 0.000 -13.668 2.895) 13.971 11.842 ( 0.000 12.729 -7.702) 14.878 12.203 ( 0.000 7.554 11.428) 13.699 13.218 ( 0.000 9.899 9.770) 13.909 13.510 ( 0.000 0.139 9.173) 9.174 14.036 ( 0.000 -9.261 -2.666) 9.637 14.201 ( 0.000 -25.275 -4.995) 25.764 14.824 ( 0.000 1.571 -15.191) 15.272 15.016 ( 0.000 -5.025 -13.514) 14.418 15.238 ( 0.000 17.136 -12.691) 21.324 15.436 ( 0.000 6.784 -11.137) 13.040 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 2.953 -0.118 9.164) 9.628 2.322 ( 2.739 -0.030 6.968) 7.487 2.940 ( 4.075 -2.334 8.401) 9.625 3.186 ( 1.843 -6.424 21.702) 22.708 3.342 ( 0.549 13.371 -2.616) 13.635 3.967 ( 1.328 9.633 8.625) 12.998 4.396 ( -3.073 -11.478 12.181) 17.016 4.850 ( -7.178 -9.673 0.147) 12.047 5.417 ( 2.548 16.788 3.353) 17.308 5.698 ( 0.176 4.027 3.045) 5.052 6.002 ( 16.662 -7.074 -2.395) 18.259 6.391 ( -9.311 -3.176 13.760) 16.915 6.930 ( 0.792 2.316 8.810) 9.143 7.037 ( 2.709 -2.199 6.124) 7.048 7.087 ( 2.346 -2.967 2.858) 4.741 7.235 ( -3.557 3.654 21.695) 22.286 7.413 ( 5.119 4.736 8.175) 10.746 7.510 ( -2.567 -2.253 4.108) 5.342 7.571 ( -0.394 -0.689 2.947) 3.052 7.962 ( -1.972 -9.040 34.638) 35.853 8.366 ( -3.957 5.035 -6.062) 8.818 8.500 ( 9.395 6.258 -7.537) 13.573 8.701 ( 0.814 -2.053 -12.162) 12.361 9.296 ( 6.216 -13.791 -7.608) 16.932 9.838 ( -3.454 11.582 3.142) 12.488 10.105 ( 7.894 14.374 0.020) 16.399 10.562 ( -3.033 1.913 2.312) 4.267 10.697 ( 1.358 -6.343 9.705) 11.674 10.873 ( 0.203 -5.638 2.609) 6.216 11.171 ( 0.583 3.410 4.319) 5.534 11.371 ( 7.488 -12.135 8.271) 16.484 11.689 ( -2.533 -4.708 1.493) 5.551 11.844 ( 1.797 3.549 -3.221) 5.119 12.210 ( 0.417 5.687 9.192) 10.817 13.114 ( -9.668 9.194 8.727) 15.942 13.540 ( 1.856 1.891 9.799) 10.151 14.044 ( 0.843 -10.562 -4.112) 11.366 14.204 ( 0.314 -23.161 -5.581) 23.826 14.814 ( -0.631 1.653 -14.560) 14.667 15.015 ( -0.491 -4.999 -13.291) 14.208 15.196 ( -3.917 17.305 -12.711) 21.826 15.418 ( -1.991 6.362 -11.003) 12.865 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 2.129 -0.191 5.455) 5.859 2.391 ( 3.279 0.407 3.232) 4.622 3.055 ( 7.958 -1.895 7.946) 11.404 3.238 ( 3.529 -3.913 18.576) 19.309 3.386 ( 4.540 10.339 0.489) 11.303 4.023 ( 4.576 3.871 9.912) 11.583 4.307 ( -5.525 -7.497 10.713) 14.195 4.708 ( -7.448 -11.196 0.396) 13.453 5.433 ( -2.606 19.950 2.798) 20.313 5.790 ( 10.310 3.121 3.091) 11.207 6.116 ( -13.570 -3.345 9.712) 17.019 6.364 ( 14.812 -5.740 4.667) 16.557 6.945 ( 0.475 2.638 11.802) 12.102 7.072 ( 1.549 -2.240 12.600) 12.891 7.144 ( -0.476 5.164 18.096) 18.824 7.226 ( 3.984 -7.380 5.298) 9.920 7.360 ( -5.803 -0.735 7.187) 9.267 7.541 ( 5.514 4.647 1.618) 7.390 7.635 ( 4.770 0.314 -1.875) 5.135 7.909 ( -3.113 -8.788 30.559) 31.949 8.254 ( -7.354 6.488 -4.286) 10.703 8.634 ( -1.008 -4.182 -8.318) 9.364 8.808 ( 14.457 5.818 -5.912) 16.668 9.451 ( 9.309 -12.362 -6.367) 16.733 9.808 ( 0.289 8.254 2.551) 8.644 10.234 ( 4.363 13.801 -2.929) 14.767 10.531 ( 0.472 3.484 2.092) 4.091 10.673 ( -2.969 -8.943 9.864) 13.641 10.883 ( 0.431 -4.175 4.759) 6.346 11.186 ( 0.076 8.639 7.386) 11.366 11.502 ( 2.318 -3.445 1.452) 4.399 11.666 ( 4.462 -7.371 6.650) 10.884 11.936 ( 7.224 -5.129 4.987) 10.167 12.205 ( -1.169 -0.489 5.358) 5.506 12.898 ( -11.535 11.952 5.741) 17.574 13.540 ( -2.683 1.151 10.649) 11.042 14.074 ( 2.565 -12.289 -8.048) 14.912 14.214 ( 0.828 -16.601 -7.062) 18.060 14.814 ( 0.738 1.919 -13.569) 13.724 14.981 ( -3.006 -2.115 -11.601) 12.169 15.113 ( -4.343 14.422 -13.394) 20.156 15.358 ( -4.269 5.097 -10.549) 12.469 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 1.252 0.399 3.097) 3.364 2.424 ( 0.263 1.027 0.447) 1.150 3.236 ( 10.050 -1.203 8.165) 13.005 3.312 ( 3.961 -1.217 14.548) 15.126 3.518 ( 8.952 4.299 0.800) 9.962 4.108 ( 0.798 -6.620 10.258) 12.235 4.232 ( 0.452 0.117 9.343) 9.355 4.566 ( -6.978 -4.393 5.093) 9.691 5.342 ( -5.275 12.723 2.357) 13.974 5.786 ( -17.274 -1.993 10.838) 20.489 6.075 ( 15.916 5.713 -0.555) 16.919 6.624 ( 10.827 -5.898 9.150) 15.354 6.925 ( -4.227 2.338 10.460) 11.521 7.025 ( -5.789 -2.448 4.972) 8.014 7.141 ( 1.453 3.569 24.240) 24.544 7.270 ( 4.884 0.466 14.212) 15.035 7.387 ( 2.783 -5.817 9.270) 11.292 7.627 ( 2.010 3.163 2.259) 4.376 7.744 ( 6.536 0.488 -2.964) 7.193 7.877 ( 1.418 -6.455 18.067) 19.237 8.104 ( -7.395 6.823 -1.764) 10.215 8.543 ( -7.523 -4.630 -4.303) 9.826 9.128 ( 17.236 4.308 -5.192) 18.509 9.611 ( 5.979 -9.376 -4.250) 11.905 9.843 ( 3.449 3.365 0.362) 4.832 10.226 ( -4.951 4.812 -4.931) 8.484 10.581 ( 2.772 0.314 4.654) 5.426 10.658 ( 4.043 5.300 7.354) 9.926 10.864 ( -2.989 -1.298 6.335) 7.124 11.136 ( -5.648 12.962 7.959) 16.225 11.529 ( 4.231 0.584 -1.008) 4.389 11.823 ( 8.923 -14.183 11.899) 20.551 12.060 ( 3.669 -6.912 12.482) 14.732 12.143 ( -6.666 -9.725 4.378) 12.576 12.760 ( 0.115 15.345 0.555) 15.355 13.420 ( -9.758 -2.021 8.910) 13.367 14.142 ( 4.190 -10.656 -11.209) 16.024 14.238 ( 1.470 -9.623 -8.616) 13.000 14.826 ( -0.200 4.555 -14.363) 15.070 14.946 ( 1.007 0.271 -8.380) 8.445 15.026 ( -5.054 9.398 -14.203) 17.765 15.259 ( -5.957 3.173 -9.749) 11.857 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.855 0.944 1.458) 1.936 2.415 ( -0.855 1.267 0.413) 1.583 3.376 ( 3.128 1.580 9.699) 10.313 3.379 ( 2.745 1.622 9.156) 9.695 3.729 ( 13.160 -6.766 1.236) 14.849 3.981 ( -11.619 -13.379 3.905) 18.145 4.341 ( 7.450 7.086 12.921) 16.512 4.459 ( -4.848 6.409 12.580) 14.928 5.300 ( 2.657 3.425 2.033) 4.787 5.469 ( -14.194 -1.010 5.711) 15.333 6.391 ( 16.132 4.797 1.128) 16.868 6.663 ( -10.463 0.690 7.307) 12.780 6.862 ( 3.790 -1.569 7.346) 8.414 6.948 ( -3.868 -1.373 11.038) 11.776 7.209 ( 5.651 -0.196 22.629) 23.325 7.320 ( -3.959 -3.412 20.798) 21.445 7.453 ( 7.662 0.695 11.435) 13.782 7.593 ( -5.287 2.078 9.987) 11.490 7.826 ( 3.157 1.562 -2.059) 4.080 7.898 ( -3.826 3.402 -1.678) 5.388 8.118 ( 11.255 -2.536 1.673) 11.657 8.357 ( -11.791 -4.386 -1.221) 12.640 9.431 ( 13.735 2.000 -4.162) 14.491 9.622 ( -5.296 -2.234 -2.817) 6.401 9.948 ( 7.065 -3.332 -2.391) 8.169 10.093 ( -7.862 -2.983 -3.672) 9.176 10.643 ( 4.840 2.231 5.711) 7.811 10.753 ( -4.383 3.373 6.561) 8.581 10.819 ( 7.271 11.734 5.361) 14.809 10.992 ( -8.834 13.800 6.681) 17.695 11.685 ( 11.460 -3.459 2.185) 12.169 11.931 ( -11.677 -9.278 3.391) 15.295 11.977 ( 4.618 -10.566 13.924) 18.078 12.062 ( -2.691 -7.861 13.941) 16.229 12.912 ( 13.199 6.337 1.202) 14.691 13.185 ( -14.154 -0.804 5.146) 15.082 14.217 ( 3.278 -8.066 -11.655) 14.548 14.254 ( -0.341 -7.107 -10.401) 12.602 14.835 ( 2.329 7.158 -14.191) 16.063 14.918 ( -5.627 7.993 -14.374) 17.383 15.020 ( 5.519 -0.188 -8.093) 9.797 15.138 ( -6.478 1.123 -8.829) 11.008 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 0.509 10.164) 10.177 2.285 ( 0.000 -0.578 9.053) 9.072 2.889 ( 0.000 2.277 16.828) 16.982 2.997 ( 0.000 -7.733 21.503) 22.851 3.708 ( 0.000 19.502 -2.394) 19.648 4.094 ( 0.000 -17.644 1.883) 17.744 4.296 ( 0.000 19.055 5.106) 19.727 4.686 ( 0.000 -17.024 4.087) 17.508 5.562 ( 0.000 4.149 5.908) 7.219 5.653 ( 0.000 -4.825 0.565) 4.858 5.974 ( 0.000 16.814 2.682) 17.026 6.305 ( 0.000 -13.449 7.131) 15.223 6.923 ( 0.000 -1.210 10.428) 10.498 6.934 ( 0.000 -1.407 14.141) 14.211 7.159 ( 0.000 7.704 0.573) 7.726 7.307 ( 0.000 -4.493 -1.215) 4.654 7.454 ( 0.000 3.440 15.835) 16.205 7.498 ( 0.000 -3.291 7.229) 7.943 7.577 ( 0.000 7.454 18.381) 19.835 7.776 ( 0.000 -10.497 31.148) 32.870 8.499 ( 0.000 5.944 -9.866) 11.518 8.613 ( 0.000 -4.853 -13.232) 14.094 8.637 ( 0.000 12.358 -8.312) 14.893 8.923 ( 0.000 -15.041 -8.150) 17.107 10.229 ( 0.000 9.825 4.380) 10.757 10.242 ( 0.000 12.633 7.989) 14.947 10.608 ( 0.000 0.952 9.152) 9.201 10.629 ( 0.000 -0.141 5.857) 5.858 10.745 ( 0.000 -3.231 -1.618) 3.614 10.950 ( 0.000 -18.816 8.728) 20.742 11.261 ( 0.000 7.382 -2.221) 7.709 11.451 ( 0.000 -10.930 -2.216) 11.152 12.112 ( 0.000 11.850 2.078) 12.030 12.266 ( 0.000 -2.154 9.830) 10.063 13.478 ( 0.000 14.332 6.517) 15.744 13.547 ( 0.000 4.479 5.478) 7.076 13.759 ( 0.000 -16.114 -2.267) 16.272 13.787 ( 0.000 -14.129 0.597) 14.142 14.866 ( 0.000 2.502 -14.869) 15.078 14.927 ( 0.000 -3.560 -14.190) 14.630 15.490 ( 0.000 7.115 -12.510) 14.392 15.537 ( 0.000 2.043 -12.029) 12.201 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.495 0.451 8.179) 8.563 2.314 ( 3.003 -0.660 7.210) 7.838 2.933 ( 4.472 2.316 16.098) 16.867 3.035 ( 3.831 -7.059 20.356) 21.883 3.685 ( -1.950 18.265 -1.368) 18.420 4.030 ( -5.023 -12.718 3.148) 14.032 4.306 ( 0.068 11.625 5.647) 12.924 4.606 ( -6.590 -14.364 4.800) 16.516 5.660 ( 10.422 7.827 4.074) 13.656 5.821 ( 14.065 -7.175 2.391) 15.970 5.939 ( -3.666 15.039 1.803) 15.584 6.242 ( -6.480 -11.707 8.619) 15.917 6.950 ( 2.730 -0.002 13.788) 14.056 6.974 ( 4.439 -2.719 12.082) 13.155 7.124 ( -3.095 6.096 2.294) 7.211 7.252 ( -4.814 -4.314 4.340) 7.786 7.493 ( -1.520 2.598 13.257) 13.594 7.511 ( 4.773 2.031 8.250) 9.745 7.582 ( 1.356 3.886 9.215) 10.092 7.756 ( -1.929 -10.371 30.213) 32.002 8.473 ( -2.844 5.508 -9.973) 11.742 8.575 ( -1.745 -3.046 -11.774) 12.286 8.744 ( 8.941 9.840 -7.037) 15.043 9.003 ( 7.853 -14.044 -7.093) 17.585 10.114 ( -5.693 13.867 5.953) 16.129 10.322 ( 1.209 -1.312 5.592) 5.870 10.627 ( 1.172 2.971 5.099) 6.017 10.630 ( 2.361 7.211 7.756) 10.850 10.758 ( 1.125 -2.701 -0.154) 2.930 11.029 ( 7.320 -19.515 8.457) 22.493 11.293 ( 3.256 7.858 -0.226) 8.509 11.483 ( 3.293 -10.499 -0.484) 11.014 12.063 ( -4.627 11.714 2.123) 12.772 12.235 ( -3.383 -3.813 9.055) 10.391 13.347 ( -8.796 12.838 3.839) 16.029 13.589 ( -2.845 -2.506 6.984) 7.947 13.737 ( 3.853 -8.326 -3.926) 9.979 13.873 ( 5.381 -11.970 0.945) 13.157 14.860 ( -0.448 2.693 -14.380) 14.637 14.925 ( -0.339 -3.712 -13.890) 14.382 15.453 ( -3.733 7.451 -12.560) 15.074 15.509 ( -2.953 1.541 -11.990) 12.444 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 2.854 1.070 4.198) 5.188 2.383 ( 3.479 -1.164 2.687) 4.547 3.052 ( 7.780 2.115 14.167) 16.301 3.135 ( 6.371 -5.325 17.416) 19.294 3.658 ( -0.431 14.869 0.985) 14.908 3.949 ( -3.176 -12.050 4.265) 13.171 4.294 ( -0.522 7.610 7.986) 11.044 4.492 ( -4.404 -10.378 7.101) 13.324 5.803 ( -9.626 13.377 4.927) 17.201 5.919 ( 13.398 10.007 6.340) 17.884 6.005 ( -5.842 -6.294 0.203) 8.590 6.190 ( 12.195 -11.285 5.117) 17.386 7.016 ( 1.670 2.369 14.262) 14.554 7.037 ( -1.676 -0.470 12.011) 12.137 7.111 ( 4.449 -1.793 8.018) 9.343 7.164 ( -1.192 -3.314 7.568) 8.347 7.442 ( -2.880 8.473 19.548) 21.500 7.595 ( 2.832 -2.652 5.684) 6.883 7.636 ( 4.260 1.824 0.776) 4.698 7.723 ( -0.465 -7.638 21.639) 22.952 8.392 ( -5.655 6.820 -8.235) 12.096 8.528 ( -3.819 -6.152 -8.999) 11.550 8.969 ( 14.057 9.790 -5.124) 17.880 9.197 ( 11.693 -12.008 -5.436) 17.620 10.025 ( -3.747 12.212 4.467) 13.532 10.275 ( -5.251 -10.495 3.866) 12.356 10.629 ( 0.464 6.451 3.204) 7.218 10.753 ( 6.198 2.707 7.187) 9.869 10.789 ( 4.099 8.911 2.715) 10.177 11.193 ( 9.130 -19.614 7.838) 23.011 11.375 ( 4.768 8.580 4.009) 10.602 11.560 ( 3.873 -8.131 3.478) 9.654 11.962 ( -5.153 7.995 1.771) 9.675 12.135 ( -6.923 -6.719 8.049) 12.564 13.179 ( -8.228 14.707 1.156) 16.892 13.469 ( -8.123 -11.096 2.469) 13.971 13.862 ( 7.591 -0.857 -2.444) 8.020 13.979 ( 5.582 -9.173 0.009) 10.738 14.858 ( 0.497 2.426 -13.411) 13.638 14.914 ( -0.554 -3.103 -12.921) 13.300 15.356 ( -6.220 7.694 -12.796) 16.175 15.426 ( -5.701 0.561 -11.887) 13.195 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.760 1.585 0.587) 2.441 2.429 ( 1.268 -0.735 -1.067) 1.813 3.225 ( 10.045 0.835 11.830) 15.542 3.268 ( 7.322 -2.762 13.826) 15.887 3.661 ( -0.010 9.213 2.839) 9.641 3.880 ( -5.083 -11.846 4.266) 13.578 4.332 ( 5.260 6.520 11.372) 14.124 4.462 ( 1.602 -5.822 11.491) 12.981 5.579 ( -12.850 9.335 2.555) 16.087 5.721 ( -16.299 -4.729 6.695) 18.244 6.248 ( 16.221 10.690 0.106) 19.427 6.468 ( 13.731 -9.529 5.054) 17.461 6.945 ( -6.687 0.138 7.300) 9.901 6.970 ( -4.502 -2.309 8.501) 9.893 7.182 ( 3.291 2.149 20.532) 20.905 7.248 ( 3.419 -3.861 17.905) 18.634 7.427 ( 2.600 9.242 16.767) 19.322 7.615 ( 0.377 -6.410 14.347) 15.718 7.748 ( 7.474 0.004 -2.104) 7.764 7.764 ( 4.545 -2.168 4.716) 6.899 8.259 ( -8.001 7.964 -6.282) 12.919 8.418 ( -7.697 -7.217 -5.765) 12.024 9.250 ( 14.400 7.264 -4.158) 16.656 9.418 ( 10.559 -8.964 -4.118) 14.450 9.965 ( -2.641 7.947 2.109) 8.636 10.147 ( -7.713 -8.839 0.894) 11.765 10.655 ( 2.431 6.401 5.222) 8.611 10.785 ( 0.314 -5.349 6.073) 8.099 10.965 ( 10.630 19.628 5.668) 23.030 11.347 ( 5.166 -7.381 9.442) 13.051 11.454 ( 3.998 1.909 4.745) 6.492 11.612 ( 2.311 -4.504 5.265) 7.304 11.883 ( -3.704 -3.085 2.582) 5.468 11.983 ( -8.404 -8.411 8.273) 14.485 13.058 ( -3.681 13.514 -0.821) 14.030 13.303 ( -8.764 -9.602 0.806) 13.025 14.002 ( 6.655 -0.775 -3.917) 7.761 14.077 ( 4.334 -6.598 -2.420) 8.257 14.883 ( 2.042 2.101 -13.123) 13.446 14.922 ( 2.011 -1.674 -11.207) 11.509 15.223 ( -7.534 7.097 -13.223) 16.792 15.297 ( -7.566 -0.329 -11.708) 13.944 ======================= Grid point 247 (90/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.872 1.329 -1.588) 2.247 2.436 ( -0.288 0.422 -2.267) 2.324 3.399 ( 5.586 0.636 10.546) 11.951 3.404 ( 6.561 0.268 9.472) 11.526 3.649 ( 0.295 0.351 4.958) 4.979 3.746 ( -8.130 -8.644 5.146) 12.934 4.472 ( 7.376 4.884 15.036) 17.445 4.524 ( 2.451 0.076 15.962) 16.149 5.376 ( -5.758 3.536 -0.652) 6.788 5.436 ( -11.367 -2.240 1.614) 11.697 6.531 ( 12.933 8.295 3.001) 15.655 6.671 ( 4.415 -2.561 9.943) 11.176 6.808 ( -4.311 -0.643 0.747) 4.422 6.880 ( -5.607 -4.973 7.087) 10.315 7.213 ( 1.208 0.975 26.302) 26.348 7.249 ( -2.072 -2.604 24.339) 24.566 7.530 ( 6.049 5.236 12.414) 14.769 7.608 ( -1.884 -1.452 10.667) 10.929 7.865 ( 6.428 2.252 -0.204) 6.814 7.918 ( 6.062 -2.177 5.171) 8.259 8.121 ( -3.267 4.066 -8.115) 9.647 8.240 ( -10.367 -6.431 -4.614) 13.043 9.487 ( 9.382 3.241 -3.339) 10.473 9.558 ( 2.679 -3.576 -3.157) 5.471 9.932 ( 0.144 1.681 -0.073) 1.689 10.002 ( -6.645 -4.636 -0.715) 8.134 10.716 ( 3.505 3.900 6.887) 8.656 10.772 ( -1.934 -1.065 7.401) 7.723 11.163 ( 9.748 19.324 6.805) 22.688 11.321 ( -6.155 15.098 9.632) 18.937 11.581 ( 8.018 -9.534 2.066) 12.627 11.672 ( 2.209 -12.218 5.168) 13.449 11.788 ( -4.590 -5.623 4.722) 8.660 11.840 ( -6.445 -10.538 9.312) 15.469 13.051 ( 2.795 6.308 -0.640) 6.929 13.149 ( -6.985 -3.063 0.149) 7.629 14.102 ( 3.507 -2.195 -5.112) 6.576 14.129 ( 0.772 -4.358 -4.639) 6.412 14.944 ( 4.724 3.740 -12.749) 14.101 14.996 ( 4.544 -1.348 -10.079) 11.138 15.082 ( -5.987 5.631 -13.912) 16.158 15.147 ( -7.686 -0.864 -11.585) 13.930 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 0.000 4.896) 4.896 2.424 ( 0.000 0.000 4.742) 4.742 2.905 ( 0.000 0.000 -4.717) 4.717 3.232 ( 0.000 0.000 7.066) 7.066 3.676 ( 0.000 0.000 18.585) 18.585 3.982 ( 0.000 0.000 6.255) 6.255 4.971 ( 0.000 0.000 -8.545) 8.545 5.017 ( 0.000 0.000 16.239) 16.239 5.062 ( 0.000 0.000 0.034) 0.034 5.702 ( 0.000 0.000 -3.203) 3.203 5.859 ( 0.000 0.000 2.957) 2.957 6.837 ( 0.000 0.000 -3.486) 3.486 6.841 ( 0.000 0.000 14.947) 14.947 6.875 ( 0.000 0.000 -7.817) 7.817 7.316 ( 0.000 0.000 8.145) 8.145 7.397 ( 0.000 0.000 3.984) 3.984 7.623 ( 0.000 0.000 7.217) 7.217 7.713 ( 0.000 0.000 18.396) 18.396 7.773 ( 0.000 0.000 3.102) 3.102 8.165 ( 0.000 0.000 -5.834) 5.834 8.210 ( 0.000 0.000 -4.514) 4.514 8.453 ( 0.000 0.000 -10.712) 10.712 8.805 ( 0.000 0.000 28.058) 28.058 9.257 ( 0.000 0.000 -7.990) 7.990 9.722 ( 0.000 0.000 -2.603) 2.603 9.792 ( 0.000 0.000 -1.698) 1.698 10.683 ( 0.000 0.000 2.525) 2.525 10.806 ( 0.000 0.000 6.392) 6.392 10.910 ( 0.000 0.000 -0.982) 0.982 11.390 ( 0.000 0.000 -12.268) 12.268 11.444 ( 0.000 0.000 9.436) 9.436 11.514 ( 0.000 0.000 2.770) 2.770 11.924 ( 0.000 0.000 -1.156) 1.156 12.505 ( 0.000 0.000 28.374) 28.374 13.311 ( 0.000 0.000 8.229) 8.229 13.710 ( 0.000 0.000 9.567) 9.567 14.072 ( 0.000 0.000 -2.282) 2.282 14.476 ( 0.000 0.000 -19.810) 19.810 14.575 ( 0.000 0.000 -12.591) 12.591 14.610 ( 0.000 0.000 -1.475) 1.475 14.824 ( 0.000 0.000 -13.207) 13.207 15.160 ( 0.000 0.000 -7.210) 7.210 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.109 0.000 3.937) 3.939 2.430 ( 0.734 0.000 3.830) 3.899 2.948 ( 4.777 0.000 -3.784) 6.094 3.256 ( 2.577 0.000 6.612) 7.096 3.665 ( -1.097 0.000 17.808) 17.842 4.017 ( 3.670 0.000 5.893) 6.942 4.860 ( -12.609 0.000 10.186) 16.209 4.927 ( -4.776 0.000 -8.015) 9.330 5.094 ( 3.872 0.000 2.358) 4.534 5.741 ( 2.227 0.000 3.064) 3.788 6.069 ( 19.387 0.000 0.087) 19.387 6.684 ( -10.718 0.000 10.406) 14.938 6.942 ( 5.021 0.000 1.554) 5.255 6.960 ( 8.437 0.000 -6.302) 10.531 7.295 ( 0.181 0.000 8.477) 8.479 7.459 ( 3.489 0.000 4.269) 5.514 7.628 ( -0.669 0.000 9.962) 9.984 7.645 ( -10.711 0.000 1.640) 10.836 7.654 ( -2.882 0.000 12.220) 12.556 8.168 ( -4.173 0.000 -4.333) 6.015 8.318 ( 13.856 0.000 -3.694) 14.340 8.516 ( 4.672 0.000 -8.095) 9.346 8.761 ( -4.376 0.000 26.856) 27.211 9.320 ( 6.326 0.000 -7.408) 9.742 9.690 ( -0.959 0.000 -1.556) 1.828 9.864 ( 4.951 0.000 -3.198) 5.894 10.585 ( -5.003 0.000 2.469) 5.579 10.936 ( 2.469 0.000 -0.553) 2.531 10.937 ( 7.084 0.000 7.318) 10.185 11.360 ( -2.055 0.000 -10.402) 10.603 11.383 ( -6.132 0.000 9.155) 11.019 11.610 ( 10.451 0.000 1.556) 10.566 11.969 ( 4.513 0.000 -1.302) 4.697 12.501 ( -0.487 0.000 27.599) 27.603 13.199 ( -11.175 0.000 7.818) 13.639 13.724 ( 1.479 0.000 9.481) 9.596 14.076 ( 0.444 0.000 -2.579) 2.617 14.415 ( -7.758 0.000 -21.392) 22.755 14.572 ( 1.387 0.000 -11.310) 11.395 14.595 ( -1.463 0.000 -2.051) 2.519 14.833 ( 0.539 0.000 -12.099) 12.111 15.152 ( -0.885 0.000 -6.945) 7.001 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.122 0.000 2.208) 2.211 2.439 ( 0.055 0.000 1.811) 1.812 3.099 ( 11.141 0.000 -1.515) 11.244 3.329 ( 4.962 0.000 4.779) 6.889 3.636 ( -1.828 0.000 15.553) 15.660 4.121 ( 7.097 0.000 5.255) 8.831 4.650 ( -8.205 0.000 8.624) 11.904 4.780 ( -10.749 0.000 -6.611) 12.619 5.183 ( 4.466 0.000 2.534) 5.134 5.814 ( 6.455 0.000 2.030) 6.767 6.413 ( -17.671 0.000 11.753) 21.222 6.473 ( 21.109 0.000 2.658) 21.276 7.037 ( 4.870 0.000 0.558) 4.902 7.168 ( 12.181 0.000 -2.624) 12.461 7.292 ( -9.058 0.000 5.463) 10.578 7.403 ( 0.736 0.000 5.116) 5.169 7.575 ( -1.776 0.000 12.895) 13.016 7.582 ( 3.180 0.000 5.385) 6.254 7.679 ( 3.288 0.000 4.993) 5.978 8.057 ( -7.353 0.000 -3.447) 8.121 8.574 ( 0.799 0.000 -4.746) 4.813 8.614 ( 6.737 0.000 5.562) 8.736 8.666 ( 3.990 0.000 15.934) 16.426 9.483 ( 10.301 0.000 -7.055) 12.486 9.704 ( 1.951 0.000 -0.741) 2.087 9.943 ( 2.906 0.000 -4.980) 5.766 10.539 ( 0.441 0.000 2.620) 2.657 10.970 ( -3.852 0.000 4.026) 5.572 10.982 ( 1.375 0.000 1.027) 1.717 11.228 ( -9.412 0.000 7.902) 12.289 11.374 ( 4.469 0.000 -3.750) 5.834 11.916 ( 20.444 0.000 2.312) 20.575 12.088 ( 8.044 0.000 -1.520) 8.186 12.484 ( -1.283 0.000 24.759) 24.792 12.912 ( -18.044 0.000 7.076) 19.382 13.754 ( 0.717 0.000 11.829) 11.850 14.088 ( 0.676 0.000 -3.642) 3.704 14.206 ( -12.436 0.000 -23.613) 26.687 14.557 ( -2.423 0.000 -3.644) 4.376 14.612 ( 1.751 0.000 -12.765) 12.885 14.836 ( 0.040 0.000 -8.643) 8.643 15.125 ( -1.972 0.000 -6.252) 6.556 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -0.328 0.000 0.773) 0.840 2.432 ( -0.650 0.000 0.671) 0.934 3.351 ( 12.534 0.000 3.121) 12.917 3.455 ( 10.210 0.000 -0.324) 10.215 3.597 ( -2.231 0.000 12.099) 12.303 4.278 ( 8.860 0.000 5.160) 10.253 4.519 ( -16.226 0.000 -4.601) 16.866 4.558 ( -1.794 0.000 9.527) 9.694 5.246 ( 2.669 0.000 2.593) 3.721 6.013 ( 14.232 0.000 -0.404) 14.237 6.026 ( -21.908 0.000 9.508) 23.882 6.837 ( 16.309 0.000 5.899) 17.343 7.010 ( -16.223 0.000 -0.333) 16.226 7.124 ( 3.260 0.000 4.590) 5.630 7.365 ( 7.451 0.000 3.640) 8.293 7.523 ( 6.708 0.000 7.707) 10.218 7.581 ( 1.851 0.000 5.755) 6.046 7.658 ( 5.231 0.000 10.668) 11.881 7.792 ( 9.024 0.000 5.380) 10.506 7.897 ( -8.732 0.000 -2.556) 9.099 8.472 ( -9.577 0.000 19.646) 21.856 8.538 ( -4.600 0.000 -2.316) 5.150 8.999 ( 18.683 0.000 -2.293) 18.824 9.697 ( 11.608 0.000 -6.795) 13.450 9.719 ( -1.977 0.000 -0.814) 2.138 9.981 ( 1.707 0.000 -5.186) 5.460 10.604 ( 6.112 0.000 2.823) 6.732 10.848 ( -7.263 0.000 1.258) 7.371 10.942 ( -6.482 0.000 5.440) 8.462 11.063 ( -6.806 0.000 3.621) 7.710 11.521 ( 10.606 0.000 0.642) 10.625 12.212 ( 8.988 0.000 7.115) 11.463 12.397 ( 24.341 0.000 -2.044) 24.427 12.436 ( -6.798 0.000 13.097) 14.756 12.557 ( -15.297 0.000 13.439) 20.362 13.659 ( -13.027 0.000 9.297) 16.004 14.043 ( -2.173 0.000 -19.936) 20.054 14.101 ( 0.596 0.000 -5.583) 5.615 14.510 ( -2.142 0.000 -6.194) 6.554 14.608 ( -2.463 0.000 -15.557) 15.751 14.856 ( 2.427 0.000 -4.126) 4.787 15.076 ( -3.191 0.000 -5.306) 6.191 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.079 0.000 0.195) 0.211 2.420 ( -0.460 0.000 0.260) 0.528 3.487 ( 4.209 0.000 5.562) 6.975 3.550 ( -2.733 0.000 8.236) 8.678 3.777 ( 20.189 0.000 -2.318) 20.322 4.166 ( -19.747 0.000 -3.114) 19.991 4.444 ( 7.286 0.000 6.837) 9.991 4.536 ( -2.100 0.000 9.149) 9.387 5.342 ( 9.126 0.000 3.386) 9.734 5.620 ( -19.242 0.000 6.224) 20.223 6.330 ( 18.120 0.000 -1.072) 18.152 6.680 ( -18.026 0.000 -0.494) 18.033 7.077 ( 8.323 0.000 8.190) 11.676 7.156 ( -0.574 0.000 7.203) 7.226 7.490 ( 7.044 0.000 7.244) 10.104 7.590 ( 0.429 0.000 5.202) 5.220 7.610 ( 0.905 0.000 0.431) 1.002 7.667 ( -7.415 0.000 4.447) 8.646 7.872 ( 8.472 0.000 11.006) 13.889 7.959 ( 4.011 0.000 10.385) 11.132 8.322 ( -2.939 0.000 9.592) 10.032 8.409 ( -8.130 0.000 -0.111) 8.131 9.336 ( 16.116 0.000 -2.604) 16.325 9.596 ( -10.618 0.000 -2.219) 10.848 9.901 ( 8.786 0.000 -5.805) 10.530 9.999 ( -1.213 0.000 -4.392) 4.556 10.731 ( 1.785 0.000 2.338) 2.942 10.772 ( 5.476 0.000 2.922) 6.207 10.794 ( -6.756 0.000 5.462) 8.687 10.932 ( -7.982 0.000 2.516) 8.369 11.775 ( 15.896 0.000 1.717) 15.988 12.118 ( -19.408 0.000 2.106) 19.522 12.359 ( 6.297 0.000 11.639) 13.233 12.448 ( -3.196 0.000 18.054) 18.335 12.870 ( 24.257 0.000 -0.209) 24.258 13.310 ( -21.502 0.000 1.352) 21.545 14.068 ( 2.595 0.000 -10.371) 10.691 14.102 ( -0.731 0.000 -7.615) 7.650 14.491 ( 0.602 0.000 -10.104) 10.122 14.538 ( -3.866 0.000 -14.241) 14.757 14.923 ( 4.187 0.000 -3.399) 5.393 15.005 ( -4.135 0.000 -4.251) 5.931 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 0.292 5.205) 5.213 2.426 ( 0.000 0.123 4.978) 4.980 3.021 ( 0.000 8.915 2.399) 9.233 3.323 ( 0.000 10.167 3.059) 10.617 3.590 ( 0.000 -7.774 18.966) 20.498 4.082 ( 0.000 9.703 4.632) 10.752 4.504 ( 0.000 -22.547 -1.824) 22.621 4.996 ( 0.000 -6.480 2.708) 7.023 5.501 ( 0.000 21.041 5.769) 21.817 5.683 ( 0.000 -1.688 -2.622) 3.119 5.795 ( 0.000 -2.425 1.620) 2.916 6.686 ( 0.000 -10.099 4.203) 10.939 6.916 ( 0.000 6.772 -2.767) 7.316 6.980 ( 0.000 4.976 3.984) 6.374 7.285 ( 0.000 -2.329 9.308) 9.595 7.388 ( 0.000 -1.100 3.457) 3.628 7.617 ( 0.000 -0.912 5.920) 5.990 7.716 ( 0.000 -4.837 3.796) 6.149 7.804 ( 0.000 8.534 18.806) 20.651 8.198 ( 0.000 2.076 -3.966) 4.476 8.272 ( 0.000 6.648 -6.119) 9.035 8.435 ( 0.000 -1.625 -10.327) 10.454 8.661 ( 0.000 -11.439 22.680) 25.401 9.077 ( 0.000 -13.912 -7.231) 15.679 9.951 ( 0.000 19.158 1.162) 19.194 9.962 ( 0.000 13.052 -2.273) 13.248 10.689 ( 0.000 0.844 2.647) 2.778 10.783 ( 0.000 -2.031 5.994) 6.329 10.897 ( 0.000 -3.926 1.171) 4.097 11.153 ( 0.000 -6.295 -4.445) 7.706 11.432 ( 0.000 -8.023 4.368) 9.136 11.711 ( 0.000 -17.228 0.416) 17.233 11.789 ( 0.000 19.298 1.142) 19.332 12.578 ( 0.000 3.509 23.478) 23.739 13.391 ( 0.000 7.157 6.641) 9.764 13.683 ( 0.000 -2.425 8.003) 8.362 14.011 ( 0.000 -5.730 0.335) 5.740 14.083 ( 0.000 -22.722 -6.391) 23.604 14.505 ( 0.000 1.912 -16.797) 16.906 14.748 ( 0.000 -5.535 -13.335) 14.438 15.020 ( 0.000 16.917 -8.822) 19.079 15.240 ( 0.000 5.589 -8.309) 10.014 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -0.128 -0.097 3.867) 3.871 2.431 ( 0.490 0.037 4.247) 4.276 3.055 ( 3.695 8.375 2.544) 9.501 3.343 ( 2.209 9.492 3.243) 10.271 3.590 ( -0.052 -6.896 18.054) 19.326 4.096 ( 1.713 7.122 4.502) 8.598 4.483 ( -2.539 -20.029 -1.285) 20.230 4.890 ( -8.417 -5.717 2.788) 10.550 5.465 ( 0.403 19.623 1.223) 19.666 5.761 ( 0.999 3.456 3.144) 4.778 5.981 ( 19.216 -6.774 0.270) 20.377 6.632 ( -6.951 -6.853 9.276) 13.466 6.935 ( 3.904 3.940 -2.850) 6.236 7.046 ( 5.917 4.226 0.438) 7.284 7.280 ( 0.805 -1.286 9.443) 9.564 7.417 ( 0.623 -3.377 4.599) 5.740 7.599 ( -4.419 -2.293 4.160) 6.488 7.641 ( -2.327 -0.985 3.583) 4.384 7.758 ( -3.977 9.239 15.670) 18.620 8.183 ( -2.887 1.530 -3.337) 4.670 8.371 ( 9.826 3.682 -4.538) 11.432 8.503 ( 6.061 -0.043 -7.680) 9.784 8.621 ( -3.710 -11.264 21.583) 24.627 9.152 ( 7.343 -12.773 -6.258) 16.008 9.864 ( -3.551 13.865 0.134) 14.313 10.071 ( 5.558 16.665 -2.447) 17.737 10.613 ( -3.860 2.729 2.648) 5.418 10.861 ( 2.732 -5.888 6.464) 9.160 10.902 ( 0.572 -5.747 1.017) 5.864 11.187 ( 4.408 -1.559 -2.318) 5.219 11.499 ( 6.300 -7.259 4.378) 10.562 11.732 ( -1.661 6.682 3.501) 7.725 11.769 ( 2.852 -5.932 -2.615) 7.083 12.564 ( -1.567 2.406 22.783) 22.963 13.266 ( -11.550 5.756 6.015) 14.238 13.729 ( 3.654 0.820 8.603) 9.382 13.963 ( -4.736 -15.408 -4.592) 16.761 14.094 ( 0.698 -12.323 -4.435) 13.115 14.513 ( 1.000 1.622 -15.409) 15.527 14.756 ( 0.661 -5.519 -12.645) 13.813 14.981 ( -3.775 16.666 -8.577) 19.120 15.226 ( -1.505 5.122 -8.013) 9.628 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -0.380 -0.503 1.938) 2.038 2.437 ( -0.110 -0.350 1.777) 1.815 3.170 ( 8.536 5.926 3.437) 10.945 3.410 ( 4.695 8.226 2.537) 9.805 3.588 ( -0.150 -4.605 15.571) 16.238 4.157 ( 4.597 1.367 3.921) 6.195 4.403 ( -5.309 -13.362 0.354) 14.383 4.755 ( -5.072 -4.044 3.570) 7.404 5.470 ( -2.240 20.302 0.705) 20.438 5.824 ( 7.649 1.382 0.996) 7.836 6.283 ( -0.571 -8.289 6.508) 10.554 6.490 ( 4.179 -2.967 7.536) 9.114 7.038 ( 5.476 1.661 0.146) 5.724 7.200 ( 7.222 1.280 -1.255) 7.441 7.282 ( -5.020 -0.315 5.498) 7.452 7.380 ( 3.524 -1.988 8.048) 9.008 7.546 ( 0.228 -0.224 6.305) 6.313 7.654 ( 2.340 -2.212 3.179) 4.525 7.702 ( -1.268 8.585 11.626) 14.508 8.097 ( -5.864 3.614 -2.447) 7.310 8.480 ( -1.691 -8.345 6.790) 10.891 8.539 ( -2.915 -7.418 7.635) 11.037 8.719 ( 16.171 6.139 -2.038) 17.416 9.332 ( 10.733 -10.741 -5.049) 16.002 9.825 ( -0.645 9.742 -0.291) 9.768 10.143 ( 1.319 14.478 -5.006) 15.376 10.585 ( 1.294 4.319 2.856) 5.337 10.820 ( -3.996 -7.867 5.074) 10.179 10.953 ( 2.746 -3.240 2.379) 4.868 11.295 ( 5.081 3.495 3.292) 6.991 11.517 ( -5.643 9.626 1.929) 11.324 11.811 ( 11.741 -8.940 5.649) 15.802 11.898 ( 9.957 -12.489 -3.520) 16.356 12.516 ( -3.284 -0.855 21.052) 21.324 13.001 ( -14.832 7.902 4.332) 17.355 13.751 ( -5.782 -5.386 9.289) 12.195 13.882 ( 0.617 -11.356 -10.605) 15.550 14.103 ( 0.223 -4.137 -3.943) 5.719 14.540 ( 1.346 1.258 -13.712) 13.835 14.769 ( 0.845 -4.902 -10.101) 11.260 14.890 ( -5.447 15.177 -8.485) 18.221 15.180 ( -3.306 3.697 -7.159) 8.709 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -0.476 -0.826 0.216) 0.978 2.426 ( -0.872 -0.616 0.079) 1.071 3.371 ( 11.187 1.956 5.265) 12.518 3.521 ( 7.430 6.163 0.123) 9.654 3.583 ( -0.419 -1.595 12.006) 12.119 4.197 ( -5.061 -13.920 0.195) 14.813 4.363 ( 5.223 3.484 4.552) 7.755 4.699 ( -0.851 2.038 6.852) 7.199 5.373 ( -6.125 10.756 0.774) 12.402 5.967 ( -17.366 -5.188 5.572) 18.961 6.073 ( 12.039 5.896 2.132) 13.573 6.766 ( 15.197 -7.133 5.447) 17.649 7.018 ( -14.147 1.006 1.364) 14.248 7.125 ( 2.552 0.182 4.853) 5.486 7.416 ( 8.443 3.849 0.355) 9.286 7.517 ( 7.405 -0.411 9.482) 12.037 7.571 ( 2.615 -0.167 11.776) 12.064 7.701 ( 1.387 2.411 7.765) 8.247 7.745 ( 6.736 -1.451 1.702) 7.098 7.977 ( -5.599 6.048 -0.417) 8.252 8.366 ( -7.817 -9.232 16.493) 20.454 8.482 ( -4.836 -5.355 -1.912) 7.465 9.054 ( 17.762 5.093 -2.144) 18.602 9.528 ( 8.485 -8.775 -3.524) 12.705 9.828 ( 0.816 5.495 -1.449) 5.742 10.110 ( -4.430 6.799 -5.860) 10.009 10.658 ( 5.237 3.981 3.168) 7.301 10.775 ( 0.886 2.585 4.250) 5.052 10.970 ( -1.755 -0.374 4.171) 4.540 11.260 ( -8.662 14.605 4.761) 17.635 11.515 ( 7.222 0.314 -0.408) 7.240 12.010 ( 8.251 -16.522 6.639) 19.625 12.110 ( 7.249 -15.391 -0.097) 17.013 12.443 ( -4.374 -6.024 18.999) 20.406 12.786 ( -3.696 14.010 1.587) 14.576 13.536 ( -14.300 -11.709 -0.398) 18.487 13.959 ( 5.011 -1.367 -4.043) 6.582 14.104 ( -0.189 -1.594 -5.002) 5.253 14.552 ( 0.108 2.959 -13.347) 13.671 14.768 ( -4.946 9.785 -11.371) 15.796 14.817 ( 2.158 -1.212 -4.810) 5.410 15.102 ( -4.775 1.606 -5.996) 7.831 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.063 -0.961 -0.600) 1.135 2.410 ( -0.643 -0.866 -0.585) 1.228 3.520 ( 4.208 2.746 5.948) 7.786 3.567 ( -1.340 1.294 8.242) 8.450 3.735 ( 14.282 -2.834 -0.189) 14.562 4.006 ( -13.015 -10.896 -0.219) 16.976 4.532 ( 9.920 7.407 6.410) 13.941 4.676 ( -3.803 8.743 8.506) 12.777 5.334 ( 4.887 -0.399 1.459) 5.116 5.578 ( -18.755 -3.968 4.925) 19.793 6.391 ( 17.691 6.012 -0.281) 18.687 6.722 ( -16.575 4.086 0.802) 17.090 7.005 ( 9.491 -6.803 6.608) 13.417 7.125 ( -3.026 -3.530 6.718) 8.170 7.550 ( 5.943 5.314 7.066) 10.653 7.596 ( 1.767 0.998 8.024) 8.276 7.624 ( 1.529 1.311 3.787) 4.289 7.699 ( -4.316 2.328 5.386) 7.283 7.867 ( 7.351 -0.064 6.472) 9.794 7.964 ( 1.109 1.000 8.231) 8.366 8.245 ( -1.429 -7.056 8.358) 11.031 8.350 ( -8.350 -5.495 -0.200) 9.998 9.370 ( 14.590 3.077 -1.884) 15.030 9.574 ( -5.215 -1.998 -1.589) 5.807 9.882 ( 5.480 -0.542 -3.742) 6.658 10.002 ( -6.288 -1.078 -4.700) 7.925 10.749 ( 5.331 3.827 4.921) 8.203 10.869 ( -2.519 5.464 4.861) 7.735 10.896 ( 4.764 10.347 2.694) 11.705 11.077 ( -9.809 14.085 2.039) 17.285 11.715 ( 12.953 -4.989 0.941) 13.913 11.974 ( -12.153 -11.282 1.232) 16.628 12.220 ( 7.604 -14.066 10.363) 19.054 12.350 ( -5.625 -10.527 14.980) 19.153 12.927 ( 14.833 5.335 -0.150) 15.764 13.237 ( -16.489 -5.267 -1.011) 17.340 14.043 ( 3.493 -1.049 -4.777) 6.010 14.090 ( -1.446 -1.353 -5.841) 6.167 14.571 ( 2.618 6.349 -12.429) 14.200 14.655 ( -5.737 9.468 -11.729) 16.129 14.898 ( 5.220 -2.354 -4.399) 7.221 15.002 ( -5.515 -0.582 -4.943) 7.429 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.000 0.131 5.426) 5.428 2.429 ( 0.000 0.100 5.572) 5.573 3.198 ( 0.000 8.668 13.962) 16.434 3.394 ( 0.000 -10.253 18.254) 20.936 3.650 ( 0.000 19.587 -3.102) 19.831 4.065 ( 0.000 -20.528 -3.729) 20.864 4.371 ( 0.000 17.776 2.414) 17.940 4.751 ( 0.000 -17.020 2.060) 17.144 5.628 ( 0.000 -0.689 1.362) 1.527 5.643 ( 0.000 -1.808 -1.103) 2.118 6.055 ( 0.000 20.213 4.525) 20.714 6.427 ( 0.000 -15.356 4.234) 15.929 7.057 ( 0.000 4.913 -0.305) 4.923 7.064 ( 0.000 2.942 5.168) 5.947 7.255 ( 0.000 0.733 8.883) 8.914 7.332 ( 0.000 -4.574 3.497) 5.758 7.598 ( 0.000 -0.423 5.030) 5.048 7.621 ( 0.000 -3.188 4.693) 5.673 8.025 ( 0.000 11.902 18.673) 22.143 8.211 ( 0.000 -3.058 5.841) 6.593 8.394 ( 0.000 -1.939 -8.417) 8.637 8.413 ( 0.000 -3.912 5.334) 6.614 8.493 ( 0.000 8.524 -4.270) 9.534 8.770 ( 0.000 -15.099 -7.045) 16.661 10.241 ( 0.000 12.752 -1.911) 12.895 10.336 ( 0.000 10.753 1.502) 10.857 10.726 ( 0.000 -1.778 0.176) 1.786 10.734 ( 0.000 -2.378 4.701) 5.268 10.778 ( 0.000 5.579 7.871) 9.647 11.142 ( 0.000 -20.778 9.377) 22.796 11.189 ( 0.000 6.799 -3.953) 7.865 11.378 ( 0.000 -12.087 -3.830) 12.679 12.196 ( 0.000 19.522 5.009) 20.154 12.525 ( 0.000 -10.194 14.569) 17.781 13.555 ( 0.000 6.636 -1.115) 6.729 13.625 ( 0.000 -2.718 2.203) 3.499 13.765 ( 0.000 -5.156 5.547) 7.573 13.855 ( 0.000 -8.628 6.694) 10.921 14.560 ( 0.000 3.341 -16.020) 16.365 14.641 ( 0.000 -4.579 -14.687) 15.384 15.268 ( 0.000 7.133 -9.477) 11.862 15.322 ( 0.000 1.392 -9.269) 9.373 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.393 0.162 4.230) 4.251 2.429 ( -0.074 -0.224 4.466) 4.473 3.226 ( 2.891 8.407 13.149) 15.872 3.412 ( 1.788 -9.475 17.320) 19.823 3.646 ( -0.190 18.126 -2.348) 18.279 4.025 ( -3.309 -17.661 -2.674) 18.166 4.384 ( 0.980 13.147 2.408) 13.401 4.687 ( -5.143 -13.747 2.815) 14.945 5.684 ( 7.981 4.928 -0.544) 9.396 5.795 ( 10.150 -5.839 -2.328) 11.939 6.061 ( 1.096 17.639 7.062) 19.032 6.407 ( -3.090 -14.473 6.845) 16.305 7.056 ( 1.657 5.850 -0.100) 6.081 7.108 ( 3.792 1.158 1.799) 4.354 7.260 ( 1.043 0.284 10.095) 10.153 7.325 ( -1.433 -5.135 5.559) 7.702 7.576 ( -1.838 0.341 3.430) 3.906 7.604 ( -0.975 -2.044 3.058) 3.806 7.991 ( -3.242 12.625 17.514) 21.832 8.199 ( -1.547 -3.379 7.790) 8.631 8.360 ( -2.003 -3.384 -0.859) 4.025 8.398 ( -1.208 -6.436 -1.403) 6.697 8.621 ( 11.388 10.328 -4.921) 16.143 8.874 ( 9.761 -13.535 -5.444) 17.553 10.164 ( -5.704 14.109 -0.223) 15.220 10.351 ( -1.094 1.913 -1.581) 2.712 10.689 ( -0.967 3.633 2.639) 4.593 10.784 ( 3.007 -4.717 3.361) 6.526 10.803 ( 2.928 9.581 7.320) 12.407 11.206 ( 5.836 -20.977 8.398) 23.337 11.258 ( 6.775 6.320 -2.211) 9.525 11.437 ( 6.056 -11.323 -3.038) 13.195 12.140 ( -5.590 19.519 4.566) 20.811 12.481 ( -4.508 -11.507 13.987) 18.665 13.407 ( -10.444 7.818 1.536) 13.136 13.612 ( -6.246 -13.261 -3.935) 15.178 13.789 ( 5.130 4.770 9.006) 11.410 13.924 ( 4.754 -7.542 4.656) 10.058 14.566 ( 0.644 3.318 -15.304) 15.672 14.648 ( 0.644 -4.687 -14.037) 14.813 15.232 ( -3.648 7.526 -9.351) 12.545 15.297 ( -2.654 0.790 -9.037) 9.452 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.693 0.130 1.729) 1.868 2.424 ( -0.516 -0.725 1.670) 1.892 3.307 ( 5.510 7.154 11.311) 14.473 3.459 ( 3.039 -7.340 14.868) 16.857 3.656 ( 1.331 14.500 -1.014) 14.596 3.968 ( -2.531 -15.289 -1.514) 15.571 4.408 ( 2.096 9.124 3.693) 10.064 4.613 ( -1.529 -9.382 4.584) 10.553 5.836 ( -7.155 10.940 -0.788) 13.096 5.890 ( 11.050 4.810 -2.880) 12.391 6.149 ( 2.576 -0.949 8.312) 8.754 6.329 ( 1.881 -11.706 7.495) 14.027 7.112 ( 2.568 4.530 0.786) 5.266 7.186 ( -0.809 -2.337 0.942) 2.647 7.294 ( 4.643 1.243 8.083) 9.405 7.332 ( 6.299 -2.373 10.622) 12.575 7.559 ( 0.471 1.446 1.909) 2.441 7.602 ( 0.993 -2.549 0.559) 2.792 7.921 ( -3.615 12.261 15.467) 20.066 8.147 ( -3.794 -4.491 11.468) 12.887 8.294 ( -4.329 -2.578 1.360) 5.219 8.392 ( -0.940 -7.080 -4.462) 8.422 8.885 ( 15.595 9.697 -3.145) 18.632 9.103 ( 13.407 -11.165 -3.720) 17.839 10.057 ( -5.337 12.015 -0.459) 13.155 10.268 ( -7.025 -5.784 -3.044) 9.595 10.702 ( 2.257 6.868 3.647) 8.097 10.847 ( 3.234 -6.410 3.727) 8.089 10.896 ( 6.848 17.241 6.162) 19.548 11.333 ( 7.099 -17.593 5.997) 19.897 11.416 ( 8.625 2.946 1.083) 9.178 11.589 ( 8.531 -10.274 -0.141) 13.355 12.005 ( -7.545 17.439 2.797) 19.206 12.359 ( -7.967 -14.282 12.683) 20.696 13.201 ( -10.302 10.968 0.702) 15.064 13.455 ( -9.214 -14.430 -3.486) 17.472 13.897 ( 5.543 4.753 5.888) 9.380 14.005 ( 3.491 -5.314 2.747) 6.926 14.587 ( 1.577 3.171 -13.928) 14.371 14.667 ( 1.576 -4.574 -11.994) 12.933 15.135 ( -6.270 8.109 -9.111) 13.714 15.221 ( -5.178 -0.550 -8.413) 9.894 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -0.765 -0.050 -0.626) 0.989 2.409 ( -0.976 -0.854 -0.809) 1.529 3.434 ( 7.606 4.127 9.222) 12.646 3.524 ( 3.568 -4.018 11.559) 12.747 3.688 ( 1.627 9.593 0.076) 9.730 3.912 ( -3.899 -12.440 -0.378) 13.042 4.497 ( 7.883 7.981 5.556) 12.519 4.650 ( 5.484 -5.893 7.108) 10.739 5.608 ( -14.850 11.103 0.553) 18.550 5.817 ( -17.205 -9.037 2.782) 19.632 6.272 ( 14.823 12.874 2.602) 19.804 6.551 ( 14.614 -13.030 3.773) 19.940 7.058 ( -9.473 2.743 4.731) 10.939 7.112 ( -2.977 -1.885 5.514) 6.544 7.482 ( 11.623 2.244 4.287) 12.590 7.509 ( 9.667 -0.546 10.639) 14.385 7.592 ( 2.841 2.126 4.682) 5.875 7.653 ( 4.441 -3.524 -0.361) 5.681 7.865 ( -1.767 9.740 11.564) 15.222 8.068 ( -3.815 -4.532 11.956) 13.343 8.193 ( -6.480 0.533 1.110) 6.596 8.336 ( -5.081 -8.262 -2.620) 10.047 9.190 ( 15.489 7.662 -1.861) 17.380 9.355 ( 12.058 -8.230 -2.104) 14.750 9.963 ( -4.472 7.450 -1.540) 8.825 10.110 ( -8.909 -5.647 -3.389) 11.078 10.768 ( 4.378 7.156 5.395) 9.974 10.906 ( 2.594 -4.908 5.645) 7.917 11.052 ( 9.222 19.971 3.422) 22.262 11.468 ( 6.907 -11.591 3.667) 13.982 11.531 ( 1.132 6.384 2.539) 6.963 11.700 ( 3.096 -7.545 3.581) 8.907 11.900 ( -2.815 2.654 0.320) 3.882 12.193 ( -9.004 -16.996 11.009) 22.162 13.052 ( -4.290 11.746 -0.080) 12.505 13.283 ( -8.348 -11.495 -2.728) 14.466 13.988 ( 3.723 2.856 2.467) 5.301 14.052 ( 1.329 -3.070 -0.248) 3.355 14.628 ( 2.958 4.302 -12.444) 13.495 14.720 ( 4.211 -4.504 -9.132) 11.019 14.999 ( -7.772 8.218 -8.957) 14.428 15.104 ( -6.944 -2.094 -7.576) 10.488 ======================= Grid point 292 (105/120) ======================= q-point: ( 0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -0.234 -0.352 -1.904) 1.951 2.393 ( -0.617 -0.652 -1.979) 2.173 3.570 ( 5.042 1.573 6.995) 8.765 3.585 ( 2.308 0.086 8.003) 8.329 3.717 ( 2.377 1.834 2.117) 3.673 3.812 ( -6.259 -7.281 1.807) 9.770 4.695 ( 11.118 7.319 7.649) 15.352 4.781 ( 4.723 0.205 9.772) 10.856 5.357 ( -7.349 3.444 -1.094) 8.190 5.467 ( -16.197 -6.270 1.501) 17.433 6.572 ( 15.407 11.055 1.786) 19.047 6.810 ( 11.005 -10.721 3.139) 15.681 6.845 ( -11.659 6.842 4.488) 14.244 7.006 ( -7.963 -7.551 5.495) 12.273 7.626 ( 3.377 2.231 12.825) 13.449 7.649 ( 2.215 0.907 17.110) 17.277 7.678 ( 6.173 4.191 -0.352) 7.469 7.721 ( 1.038 -0.407 3.820) 3.979 7.897 ( 5.443 4.332 2.989) 7.571 8.038 ( -5.306 6.398 2.897) 8.802 8.061 ( 0.966 -9.766 5.568) 11.283 8.202 ( -8.518 -8.323 0.007) 11.909 9.446 ( 10.233 3.920 -0.750) 10.984 9.520 ( 3.527 -3.189 -0.605) 4.793 9.897 ( -1.407 1.924 -2.811) 3.685 9.952 ( -6.723 -3.110 -3.476) 8.182 10.857 ( 4.570 5.419 7.027) 9.981 10.921 ( -1.472 -0.070 7.361) 7.507 11.244 ( 10.590 20.765 1.673) 23.369 11.437 ( -8.894 18.506 1.987) 20.628 11.603 ( 7.372 -7.829 0.931) 10.794 11.725 ( -3.277 -12.283 0.936) 12.747 11.892 ( 3.837 -11.190 5.110) 12.886 12.025 ( -8.440 -18.261 8.562) 21.863 13.049 ( 3.320 5.604 0.251) 6.518 13.144 ( -6.182 -3.998 -0.640) 7.390 14.038 ( 1.671 0.464 -1.408) 2.234 14.059 ( -0.477 -1.434 -2.563) 2.975 14.711 ( 5.880 6.590 -10.509) 13.728 14.823 ( 4.827 -2.542 -8.761) 10.321 14.850 ( -6.092 5.941 -7.783) 11.532 14.964 ( -7.491 -3.557 -6.887) 10.779 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 0.000 1.209) 1.209 2.488 ( 0.000 0.000 1.623) 1.623 2.833 ( 0.000 0.000 -2.005) 2.005 3.347 ( 0.000 0.000 3.425) 3.425 3.951 ( 0.000 0.000 8.001) 8.001 4.063 ( 0.000 0.000 2.057) 2.057 4.839 ( 0.000 0.000 -4.072) 4.072 5.058 ( 0.000 0.000 -0.201) 0.201 5.230 ( 0.000 0.000 5.371) 5.371 5.658 ( 0.000 0.000 -1.179) 1.179 5.899 ( 0.000 0.000 1.064) 1.064 6.777 ( 0.000 0.000 -2.372) 2.372 6.778 ( 0.000 0.000 -1.829) 1.829 7.083 ( 0.000 0.000 8.156) 8.156 7.419 ( 0.000 0.000 -0.952) 0.952 7.419 ( 0.000 0.000 2.486) 2.486 7.731 ( 0.000 0.000 3.193) 3.193 7.800 ( 0.000 0.000 0.123) 0.123 7.959 ( 0.000 0.000 6.297) 6.297 8.080 ( 0.000 0.000 -2.332) 2.332 8.156 ( 0.000 0.000 -1.154) 1.154 8.309 ( 0.000 0.000 -3.697) 3.697 9.138 ( 0.000 0.000 -3.389) 3.389 9.189 ( 0.000 0.000 10.155) 10.155 9.680 ( 0.000 0.000 -1.245) 1.245 9.765 ( 0.000 0.000 -0.803) 0.803 10.728 ( 0.000 0.000 1.498) 1.498 10.891 ( 0.000 0.000 -0.685) 0.685 10.891 ( 0.000 0.000 2.149) 2.149 11.218 ( 0.000 0.000 -4.737) 4.737 11.541 ( 0.000 0.000 0.387) 0.387 11.569 ( 0.000 0.000 3.206) 3.206 11.927 ( 0.000 0.000 0.606) 0.606 13.044 ( 0.000 0.000 24.265) 24.265 13.374 ( 0.000 0.000 -4.508) 4.508 13.868 ( 0.000 0.000 5.327) 5.327 14.043 ( 0.000 0.000 -0.687) 0.687 14.110 ( 0.000 0.000 -13.010) 13.010 14.398 ( 0.000 0.000 -5.091) 5.091 14.590 ( 0.000 0.000 -0.528) 0.528 14.610 ( 0.000 0.000 -6.912) 6.912 15.061 ( 0.000 0.000 -2.639) 2.639 ======================= Grid point 316 (107/120) ======================= q-point: ( 0.11 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -0.425 0.000 0.911) 1.006 2.477 ( -1.079 0.000 1.261) 1.660 2.891 ( 6.135 0.000 -1.594) 6.339 3.361 ( 1.459 0.000 3.053) 3.384 3.928 ( -2.314 0.000 7.656) 7.998 4.092 ( 3.069 0.000 1.823) 3.570 4.804 ( -3.873 0.000 -3.762) 5.400 4.967 ( -12.615 0.000 1.963) 12.767 5.135 ( 1.494 0.000 1.309) 1.987 5.789 ( 3.513 0.000 1.456) 3.802 6.074 ( 20.282 0.000 0.258) 20.283 6.773 ( -2.305 0.000 0.470) 2.352 6.878 ( 10.081 0.000 -1.981) 10.274 7.029 ( -4.261 0.000 4.775) 6.400 7.399 ( 2.013 0.000 2.282) 3.043 7.515 ( 5.176 0.000 1.663) 5.436 7.646 ( -12.429 0.000 -0.995) 12.468 7.737 ( 0.728 0.000 3.100) 3.185 7.835 ( -6.733 0.000 3.866) 7.764 8.111 ( -4.023 0.000 -1.473) 4.284 8.286 ( 14.986 0.000 -0.052) 14.986 8.410 ( 7.166 0.000 -2.594) 7.621 9.092 ( -4.525 0.000 5.125) 6.837 9.246 ( 5.520 0.000 1.371) 5.687 9.661 ( -0.331 0.000 -0.946) 1.002 9.817 ( 3.664 0.000 -1.292) 3.886 10.624 ( -5.191 0.000 1.181) 5.323 10.923 ( 3.098 0.000 -0.523) 3.142 11.060 ( 8.334 0.000 5.274) 9.863 11.187 ( -0.235 0.000 -6.802) 6.806 11.505 ( -6.458 0.000 3.159) 7.190 11.620 ( 9.035 0.000 -0.056) 9.035 11.975 ( 4.929 0.000 0.769) 4.989 13.011 ( -4.061 0.000 20.800) 21.193 13.305 ( -7.008 0.000 2.431) 7.417 13.790 ( -5.840 0.000 -7.458) 9.472 14.044 ( 0.028 0.000 -0.777) 0.777 14.125 ( -1.121 0.000 -1.147) 1.604 14.355 ( -2.404 0.000 -9.802) 10.093 14.567 ( -2.287 0.000 -0.750) 2.407 14.656 ( 3.690 0.000 -4.952) 6.175 15.057 ( -0.460 0.000 -2.509) 2.550 ======================= Grid point 317 (108/120) ======================= q-point: ( 0.22 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -1.516 0.000 0.492) 1.594 2.460 ( -0.955 0.000 0.439) 1.051 3.070 ( 12.665 0.000 -0.902) 12.697 3.403 ( 2.983 0.000 2.136) 3.669 3.865 ( -4.168 0.000 6.604) 7.809 4.184 ( 6.580 0.000 1.419) 6.731 4.680 ( -9.233 0.000 -2.967) 9.698 4.758 ( -7.551 0.000 2.625) 7.994 5.210 ( 4.486 0.000 0.508) 4.514 5.843 ( 4.421 0.000 0.797) 4.492 6.515 ( 23.245 0.000 1.222) 23.277 6.580 ( -17.933 0.000 4.568) 18.506 7.021 ( 3.245 0.000 -0.970) 3.387 7.123 ( 14.158 0.000 -1.298) 14.218 7.353 ( -14.278 0.000 1.714) 14.381 7.497 ( 7.061 0.000 2.704) 7.561 7.652 ( 6.904 0.000 1.716) 7.114 7.738 ( -3.449 0.000 3.733) 5.083 7.769 ( 3.152 0.000 2.955) 4.320 8.009 ( -6.595 0.000 -1.360) 6.733 8.510 ( 2.550 0.000 -1.721) 3.076 8.599 ( 16.939 0.000 -0.303) 16.941 8.969 ( -7.907 0.000 7.419) 10.842 9.394 ( 9.661 0.000 -1.741) 9.816 9.687 ( 2.662 0.000 -0.600) 2.728 9.870 ( 1.745 0.000 -1.966) 2.628 10.579 ( 0.572 0.000 1.164) 1.297 10.988 ( 3.015 0.000 -0.005) 3.015 11.006 ( -7.758 0.000 0.290) 7.763 11.337 ( 9.980 0.000 -0.515) 9.993 11.337 ( -10.693 0.000 2.891) 11.077 11.912 ( 20.987 0.000 -0.886) 21.006 12.111 ( 9.115 0.000 1.548) 9.246 12.851 ( -13.397 0.000 7.500) 15.354 13.141 ( -8.802 0.000 19.962) 21.816 13.677 ( -6.985 0.000 -23.612) 24.623 14.042 ( -0.340 0.000 -1.100) 1.151 14.050 ( -4.500 0.000 12.818) 13.585 14.333 ( -0.926 0.000 -14.845) 14.874 14.506 ( -3.942 0.000 -1.362) 4.171 14.729 ( 3.906 0.000 -2.525) 4.651 15.041 ( -1.287 0.000 -2.184) 2.535 ======================= Grid point 318 (109/120) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -1.097 0.000 -0.118) 1.103 2.439 ( -1.173 0.000 0.099) 1.177 3.368 ( 18.002 0.000 -0.278) 18.004 3.474 ( 4.499 0.000 1.184) 4.652 3.773 ( -5.286 0.000 5.008) 7.282 4.332 ( 7.262 0.000 0.794) 7.305 4.457 ( -12.680 0.000 -1.479) 12.766 4.682 ( -1.237 0.000 3.104) 3.341 5.276 ( 2.920 0.000 0.670) 2.996 6.007 ( 12.992 0.000 -0.158) 12.993 6.160 ( -24.319 0.000 3.610) 24.585 6.919 ( 18.429 0.000 2.230) 18.564 6.988 ( -12.817 0.000 -0.891) 12.848 7.185 ( 1.620 0.000 1.539) 2.234 7.360 ( 9.458 0.000 -0.983) 9.509 7.620 ( 4.398 0.000 2.585) 5.102 7.695 ( -1.205 0.000 3.321) 3.533 7.830 ( 12.471 0.000 5.143) 13.490 7.862 ( -8.697 0.000 -1.061) 8.762 7.887 ( 9.727 0.000 3.131) 10.219 8.499 ( -3.674 0.000 -1.338) 3.910 8.718 ( -10.533 0.000 5.447) 11.858 8.990 ( 15.788 0.000 0.704) 15.803 9.602 ( 11.735 0.000 -2.455) 11.989 9.705 ( -2.844 0.000 -0.456) 2.880 9.907 ( 2.840 0.000 -2.037) 3.495 10.643 ( 5.867 0.000 1.058) 5.962 10.854 ( -7.104 0.000 -0.163) 7.106 11.007 ( -1.837 0.000 1.424) 2.325 11.117 ( -11.573 0.000 1.614) 11.685 11.535 ( 11.542 0.000 0.504) 11.553 12.315 ( 12.841 0.000 3.440) 13.294 12.367 ( 24.290 0.000 -1.463) 24.334 12.523 ( -19.666 0.000 1.084) 19.696 12.982 ( -8.294 0.000 23.830) 25.232 13.481 ( -13.486 0.000 -22.538) 26.265 14.014 ( 0.495 0.000 12.688) 12.697 14.031 ( -0.653 0.000 -1.615) 1.742 14.300 ( -2.255 0.000 -15.389) 15.553 14.422 ( -4.722 0.000 -2.447) 5.318 14.805 ( 3.982 0.000 -1.239) 4.170 15.006 ( -2.378 0.000 -1.764) 2.961 ======================= Grid point 319 (110/120) ======================= q-point: ( 0.44 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -0.135 0.000 -0.307) 0.335 2.419 ( -0.778 0.000 -0.169) 0.796 3.564 ( 5.280 0.000 2.046) 5.663 3.668 ( -5.596 0.000 3.266) 6.479 3.745 ( 20.217 0.000 -0.872) 20.236 4.120 ( -18.499 0.000 -1.300) 18.544 4.526 ( 8.660 0.000 1.875) 8.861 4.651 ( -3.656 0.000 2.737) 4.567 5.389 ( 10.828 0.000 1.279) 10.903 5.708 ( -21.568 0.000 2.380) 21.699 6.314 ( 18.192 0.000 -0.436) 18.197 6.670 ( -18.384 0.000 -0.300) 18.387 7.189 ( 8.630 0.000 2.970) 9.127 7.243 ( 1.679 0.000 1.925) 2.554 7.502 ( 7.310 0.000 -1.068) 7.388 7.657 ( -2.949 0.000 2.298) 3.739 7.682 ( -0.346 0.000 2.795) 2.816 7.689 ( -5.994 0.000 -0.423) 6.009 8.106 ( 14.538 0.000 8.765) 16.976 8.114 ( 12.003 0.000 4.533) 12.830 8.379 ( -7.862 0.000 -2.599) 8.280 8.458 ( -14.625 0.000 3.483) 15.034 9.306 ( 15.722 0.000 -0.565) 15.732 9.566 ( -10.979 0.000 -0.765) 11.005 9.817 ( 9.807 0.000 -2.292) 10.071 9.936 ( -1.773 0.000 -1.747) 2.489 10.773 ( 3.449 0.000 1.803) 3.891 10.796 ( 5.899 0.000 -0.241) 5.904 10.884 ( -8.959 0.000 3.396) 9.581 10.946 ( -7.308 0.000 -0.727) 7.345 11.796 ( 15.965 0.000 0.489) 15.973 12.140 ( -19.599 0.000 0.423) 19.603 12.568 ( 13.354 0.000 8.473) 15.815 12.804 ( -10.821 0.000 16.896) 20.064 12.815 ( 21.589 0.000 -4.592) 22.072 13.184 ( -17.291 0.000 -12.458) 21.311 14.024 ( 0.035 0.000 -1.064) 1.064 14.028 ( 0.119 0.000 4.712) 4.714 14.279 ( 0.899 0.000 -10.953) 10.990 14.334 ( -4.229 0.000 -4.916) 6.484 14.881 ( 3.894 0.000 -1.028) 4.027 14.951 ( -3.352 0.000 -1.325) 3.605 ======================= Grid point 324 (111/120) ======================= q-point: ( 0.00 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 0.746 1.379) 1.568 2.491 ( 0.000 0.331 1.666) 1.698 3.028 ( 0.000 17.223 -0.365) 17.227 3.400 ( 0.000 5.288 2.832) 5.999 3.879 ( 0.000 -6.712 8.870) 11.123 4.142 ( 0.000 7.919 1.492) 8.059 4.438 ( 0.000 -24.122 -3.204) 24.334 5.023 ( 0.000 -6.710 0.377) 6.721 5.590 ( 0.000 19.534 2.533) 19.698 5.646 ( 0.000 -1.078 -1.041) 1.498 5.820 ( 0.000 -2.711 0.769) 2.818 6.691 ( 0.000 -7.740 -0.887) 7.790 6.870 ( 0.000 7.691 -1.436) 7.824 7.121 ( 0.000 2.662 6.262) 6.805 7.408 ( 0.000 -0.854 3.080) 3.196 7.416 ( 0.000 -0.327 -0.241) 0.406 7.708 ( 0.000 -2.007 2.751) 3.405 7.756 ( 0.000 -3.924 0.567) 3.964 8.056 ( 0.000 8.876 6.581) 11.050 8.144 ( 0.000 4.521 -0.862) 4.602 8.177 ( 0.000 3.674 -3.213) 4.881 8.295 ( 0.000 -1.309 -3.781) 4.002 8.965 ( 0.000 -15.786 7.621) 17.529 8.969 ( 0.000 -13.536 -3.128) 13.893 9.925 ( 0.000 12.671 -1.126) 12.721 9.971 ( 0.000 21.318 0.733) 21.330 10.722 ( 0.000 0.094 0.707) 0.713 10.864 ( 0.000 -2.477 2.053) 3.217 10.940 ( 0.000 1.550 3.084) 3.452 11.050 ( 0.000 -7.431 -4.815) 8.854 11.469 ( 0.000 -6.446 0.392) 6.458 11.739 ( 0.000 -16.950 1.403) 17.008 11.824 ( 0.000 18.995 1.315) 19.040 13.049 ( 0.000 -2.970 22.442) 22.638 13.395 ( 0.000 1.424 -8.709) 8.824 13.798 ( 0.000 -6.031 2.971) 6.724 14.018 ( 0.000 -9.767 2.179) 10.007 14.054 ( 0.000 0.246 3.159) 3.169 14.196 ( 0.000 -1.222 -13.124) 13.181 14.521 ( 0.000 -7.243 -7.978) 10.776 14.903 ( 0.000 15.610 -2.981) 15.892 15.124 ( 0.000 4.607 -3.095) 5.550 ======================= Grid point 325 (112/120) ======================= q-point: ( 0.11 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -1.416 0.107 1.105) 1.799 2.484 ( -0.823 0.347 1.260) 1.544 3.069 ( 4.408 15.785 -0.094) 16.389 3.415 ( 1.566 5.323 2.532) 6.099 3.864 ( -1.483 -5.990 8.433) 10.450 4.150 ( 1.093 4.731 1.112) 4.982 4.428 ( -1.294 -20.793 -2.680) 21.004 4.927 ( -7.729 -5.878 0.903) 9.752 5.471 ( -1.369 17.537 -0.136) 17.590 5.807 ( -0.014 2.015 1.219) 2.355 5.997 ( 21.602 -4.032 0.796) 21.989 6.728 ( 0.372 -8.302 1.425) 8.431 6.893 ( 3.756 6.107 -1.160) 7.263 7.093 ( -1.232 3.793 2.849) 4.901 7.401 ( 2.123 0.271 2.839) 3.555 7.487 ( 3.866 -2.172 2.586) 5.133 7.625 ( -10.052 -1.676 -0.795) 10.222 7.709 ( -0.280 -2.589 2.432) 3.563 7.943 ( -5.926 9.742 3.743) 12.001 8.134 ( -2.873 2.157 -1.374) 3.847 8.339 ( 11.703 2.932 1.090) 12.114 8.391 ( 8.587 0.317 -3.844) 9.414 8.887 ( -4.315 -15.565 4.811) 16.853 9.083 ( 7.941 -12.251 -0.269) 14.602 9.861 ( -3.452 13.831 -0.170) 14.256 10.036 ( 3.539 17.896 -0.795) 18.260 10.652 ( -3.707 2.698 1.088) 4.712 10.908 ( 3.264 -2.087 0.476) 3.903 10.963 ( -2.576 -9.127 2.817) 9.893 11.128 ( 10.168 1.242 -2.435) 10.529 11.542 ( 7.903 -6.602 0.512) 10.311 11.748 ( -4.720 9.203 0.303) 10.348 11.801 ( 3.429 -7.300 2.012) 8.312 13.020 ( -3.241 -3.246 21.527) 22.010 13.302 ( -9.325 0.103 -4.723) 10.453 13.723 ( -6.802 -6.950 -7.055) 12.014 14.007 ( -0.786 -6.189 9.569) 11.423 14.057 ( 0.250 0.606 0.027) 0.656 14.236 ( 3.085 -1.230 -12.260) 12.702 14.549 ( 2.722 -7.078 -6.749) 10.152 14.868 ( -3.472 15.054 -2.890) 15.717 15.116 ( -0.979 4.161 -2.930) 5.183 ======================= Grid point 326 (113/120) ======================= q-point: ( 0.22 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -1.921 -0.673 0.324) 2.061 2.461 ( -1.583 -0.338 0.585) 1.721 3.203 ( 9.685 11.838 0.471) 15.302 3.459 ( 3.008 5.302 1.696) 6.328 3.824 ( -2.738 -4.019 7.153) 8.650 4.190 ( 2.725 -3.771 0.062) 4.653 4.386 ( -2.427 -10.779 -0.983) 11.092 4.811 ( -3.492 -2.895 1.593) 4.807 5.470 ( -1.580 19.141 -0.273) 19.208 5.838 ( 5.278 -0.027 0.381) 5.291 6.370 ( 9.421 -8.290 2.246) 12.748 6.610 ( -4.798 -3.303 3.560) 6.826 7.021 ( 7.112 2.322 -0.856) 7.530 7.165 ( 8.423 2.261 -1.173) 8.799 7.365 ( -11.332 1.472 2.687) 11.739 7.495 ( 6.519 0.116 2.736) 7.071 7.618 ( 6.201 -2.181 1.738) 6.800 7.715 ( 1.364 -4.709 1.966) 5.282 7.857 ( -3.302 9.863 3.687) 11.035 8.060 ( -4.550 4.596 -0.938) 6.535 8.458 ( 2.339 -4.647 -0.905) 5.280 8.639 ( 11.479 1.368 -0.252) 11.563 8.808 ( -1.056 -10.338 5.096) 11.574 9.270 ( 11.201 -9.437 -1.203) 14.696 9.816 ( -1.247 9.980 -0.328) 10.063 10.071 ( -0.272 14.371 -1.895) 14.498 10.628 ( 1.364 4.594 1.218) 4.945 10.883 ( -4.389 -5.433 1.528) 7.149 10.980 ( 3.620 -1.584 0.486) 3.981 11.327 ( 9.402 0.665 0.566) 9.442 11.567 ( -10.594 15.495 2.027) 18.880 11.803 ( 16.208 -8.619 -2.048) 18.471 11.928 ( 8.784 -15.335 2.398) 17.834 12.916 ( -7.747 -0.321 15.237) 17.097 13.074 ( -13.126 -3.640 4.292) 14.281 13.562 ( -9.829 -9.586 -15.012) 20.344 14.012 ( 1.589 0.863 12.437) 12.568 14.056 ( -0.473 1.020 -1.026) 1.522 14.280 ( 1.152 -0.709 -12.734) 12.806 14.612 ( 3.239 -4.457 -4.608) 7.183 14.783 ( -4.773 12.113 -2.591) 13.275 15.084 ( -2.416 2.786 -2.502) 4.456 ======================= Grid point 327 (114/120) ======================= q-point: ( 0.33 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -1.385 -1.369 -0.337) 1.976 2.428 ( -1.756 -1.188 0.005) 2.120 3.434 ( 13.925 5.963 1.285) 15.202 3.529 ( 4.353 4.986 0.515) 6.639 3.762 ( -3.672 -1.334 5.264) 6.555 4.175 ( -5.937 -15.025 -1.305) 16.208 4.419 ( 7.203 4.353 1.311) 8.518 4.797 ( 1.368 2.768 2.608) 4.042 5.378 ( -6.232 9.472 -0.008) 11.338 5.997 ( 1.194 -3.242 -0.056) 3.455 6.152 ( -9.060 2.479 3.053) 9.876 6.835 ( 15.064 -7.832 1.649) 17.059 7.039 ( -11.076 3.983 0.738) 11.794 7.186 ( 2.680 0.312 1.459) 3.067 7.388 ( 8.727 2.661 -1.218) 9.204 7.614 ( 4.982 0.654 2.229) 5.497 7.755 ( 4.243 -5.068 2.741) 7.156 7.780 ( 3.406 1.387 3.410) 5.015 7.823 ( 4.160 3.112 3.145) 6.073 7.987 ( -0.926 6.230 0.927) 6.366 8.445 ( -3.604 -5.010 -0.838) 6.228 8.586 ( -9.849 -11.596 4.940) 15.996 9.037 ( 17.234 4.728 -0.038) 17.871 9.484 ( 10.007 -7.125 -1.003) 12.325 9.803 ( -0.618 5.784 -0.815) 5.873 10.025 ( -4.131 7.086 -2.275) 8.512 10.702 ( 6.011 5.363 1.199) 8.144 10.828 ( -0.470 3.557 1.221) 3.790 11.024 ( 0.263 0.707 1.342) 1.540 11.325 ( -12.840 15.844 1.749) 20.468 11.511 ( 9.400 -1.313 -0.096) 9.492 12.068 ( 6.896 -16.745 0.338) 18.113 12.134 ( 12.246 -16.655 1.697) 20.742 12.767 ( -4.391 7.141 6.475) 10.592 12.851 ( -9.691 -8.724 9.950) 16.402 13.360 ( -10.884 -7.706 -12.606) 18.350 14.038 ( -1.015 1.063 -0.341) 1.508 14.049 ( 1.050 2.272 8.887) 9.233 14.294 ( 1.339 2.586 -12.686) 13.016 14.607 ( -4.988 10.407 -4.310) 12.319 14.754 ( 3.116 -2.683 -1.573) 4.403 15.023 ( -3.851 0.758 -1.982) 4.397 ======================= Grid point 328 (115/120) ======================= q-point: ( 0.44 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -0.153 -1.785 -0.559) 1.877 2.399 ( -1.098 -1.739 -0.394) 2.094 3.602 ( 4.549 3.274 2.189) 6.017 3.686 ( -4.217 1.324 3.311) 5.522 3.730 ( 14.987 -0.844 -0.198) 15.012 3.995 ( -12.126 -9.125 -0.525) 15.185 4.608 ( 11.166 7.305 1.718) 13.453 4.785 ( -5.252 9.556 2.631) 11.218 5.356 ( 7.237 -2.770 0.611) 7.773 5.648 ( -20.851 -5.711 1.864) 21.700 6.389 ( 17.849 7.316 0.028) 19.290 6.730 ( -17.114 5.587 0.190) 18.004 7.099 ( 9.621 -7.902 2.551) 12.708 7.212 ( -2.032 -3.759 2.200) 4.806 7.544 ( 8.185 3.840 -1.272) 9.130 7.679 ( -0.687 2.299 2.501) 3.466 7.716 ( -3.276 2.610 -0.907) 4.286 7.751 ( -2.509 5.813 3.384) 7.179 8.053 ( 13.566 -4.545 7.583) 16.193 8.099 ( 9.498 -1.156 4.044) 10.388 8.329 ( -7.901 -4.610 -1.700) 9.304 8.363 ( -12.349 -8.490 2.919) 15.268 9.352 ( 14.807 3.976 -0.265) 15.334 9.560 ( -4.823 -0.832 -0.125) 4.896 9.822 ( 4.584 0.662 -1.834) 4.981 9.932 ( -5.526 -0.879 -1.950) 5.925 10.832 ( 7.112 5.736 3.163) 9.669 10.896 ( 7.625 11.112 -0.808) 13.501 10.969 ( -5.937 4.526 3.164) 8.109 11.084 ( -11.546 14.382 -0.727) 18.458 11.726 ( 13.114 -5.895 0.231) 14.380 11.987 ( -12.450 -12.158 0.238) 17.403 12.373 ( 12.967 -18.178 4.500) 22.778 12.616 ( -11.971 -18.119 10.015) 23.914 12.906 ( 12.435 7.517 -1.408) 14.599 13.147 ( -11.777 -1.189 -5.812) 13.186 14.023 ( -0.118 0.031 -1.045) 1.052 14.040 ( -1.479 0.265 2.522) 2.935 14.360 ( 5.480 8.117 -7.661) 12.434 14.484 ( -6.952 11.202 -4.859) 14.051 14.842 ( 5.162 -3.530 -1.366) 6.401 14.939 ( -4.871 -1.491 -1.553) 5.326 ======================= Grid point 333 (116/120) ======================= q-point: ( 0.00 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 0.268 1.719) 1.740 2.499 ( 0.000 0.320 1.637) 1.668 3.420 ( 0.000 17.352 7.959) 19.090 3.584 ( 0.000 13.914 -3.628) 14.379 3.693 ( 0.000 -10.881 10.926) 15.420 3.968 ( 0.000 -21.393 -5.525) 22.095 4.398 ( 0.000 16.754 0.573) 16.764 4.771 ( 0.000 -17.188 0.323) 17.191 5.623 ( 0.000 -0.708 -0.650) 0.961 5.638 ( 0.000 -2.658 0.033) 2.659 6.121 ( 0.000 19.931 1.737) 20.007 6.470 ( 0.000 -13.828 0.714) 13.846 7.042 ( 0.000 7.923 -0.508) 7.939 7.146 ( 0.000 -1.421 2.564) 2.931 7.394 ( 0.000 -0.286 4.068) 4.078 7.402 ( 0.000 -0.913 2.490) 2.652 7.666 ( 0.000 -1.480 1.752) 2.294 7.675 ( 0.000 -2.740 0.973) 2.908 8.196 ( 0.000 2.240 -1.305) 2.593 8.235 ( 0.000 0.254 1.266) 1.291 8.320 ( 0.000 11.542 2.229) 11.756 8.366 ( 0.000 12.417 -3.289) 12.846 8.632 ( 0.000 -16.018 6.105) 17.141 8.663 ( 0.000 -15.210 -3.143) 15.532 10.201 ( 0.000 12.843 -1.380) 12.916 10.332 ( 0.000 6.306 -0.746) 6.350 10.743 ( 0.000 1.778 0.863) 1.977 10.800 ( 0.000 -3.355 1.759) 3.788 10.899 ( 0.000 7.683 3.672) 8.515 11.129 ( 0.000 8.214 -1.805) 8.410 11.281 ( 0.000 -18.253 4.115) 18.711 11.324 ( 0.000 -14.601 -1.653) 14.694 12.272 ( 0.000 24.030 2.120) 24.124 12.770 ( 0.000 -22.445 8.181) 23.890 13.479 ( 0.000 7.163 -3.830) 8.123 13.646 ( 0.000 -8.290 0.397) 8.300 13.959 ( 0.000 2.913 12.654) 12.985 14.031 ( 0.000 -2.706 9.679) 10.050 14.244 ( 0.000 4.309 -15.608) 16.192 14.364 ( 0.000 -7.235 -12.181) 14.167 15.136 ( 0.000 6.865 -3.536) 7.722 15.192 ( 0.000 0.974 -3.526) 3.658 ======================= Grid point 334 (117/120) ======================= q-point: ( 0.11 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -1.882 0.447 1.286) 2.323 2.486 ( -1.498 -0.221 1.349) 2.028 3.434 ( 1.524 16.602 7.303) 18.201 3.591 ( 0.860 12.802 -3.094) 13.198 3.695 ( 0.220 -10.131 10.392) 14.515 3.943 ( -2.065 -19.425 -5.021) 20.170 4.410 ( 1.224 13.567 0.522) 13.632 4.718 ( -4.109 -14.107 0.643) 14.708 5.667 ( 6.662 4.430 -0.689) 8.030 5.762 ( 8.182 -5.308 -0.840) 9.789 6.160 ( 3.977 16.730 2.629) 17.396 6.492 ( 0.509 -14.240 1.942) 14.381 7.041 ( 0.837 6.829 -0.618) 6.908 7.130 ( -0.420 -1.056 0.704) 1.337 7.412 ( 2.695 0.830 4.376) 5.206 7.440 ( 2.814 -2.045 4.651) 5.808 7.604 ( -5.560 0.309 -0.515) 5.593 7.644 ( -2.416 -3.176 0.933) 4.099 8.193 ( -1.509 7.737 0.860) 7.930 8.205 ( -3.554 10.493 2.172) 11.290 8.290 ( 2.955 -3.812 -1.792) 5.145 8.505 ( 1.394 -4.601 1.607) 5.068 8.585 ( 6.671 -1.113 1.016) 6.840 8.812 ( 10.817 -13.392 -0.691) 17.229 10.145 ( -4.978 12.982 -0.925) 13.934 10.312 ( -2.922 1.565 -1.467) 3.625 10.730 ( -0.294 4.617 1.223) 4.786 10.832 ( 2.760 -4.849 1.369) 5.745 10.921 ( 2.467 11.450 3.512) 12.228 11.219 ( 8.317 6.689 -1.102) 10.730 11.337 ( 5.268 -21.153 4.003) 22.164 11.389 ( 6.961 -11.243 -1.680) 13.330 12.210 ( -6.214 24.115 1.998) 24.982 12.717 ( -5.467 -23.367 7.854) 25.251 13.390 ( -8.471 7.612 -2.248) 11.609 13.558 ( -8.095 -8.191 -1.003) 11.560 13.998 ( 3.414 3.122 11.849) 12.720 14.055 ( 1.882 -1.471 7.516) 7.886 14.267 ( 2.215 3.921 -14.504) 15.187 14.390 ( 2.689 -7.551 -10.665) 13.341 15.102 ( -3.422 7.326 -3.460) 8.795 15.171 ( -2.222 0.281 -3.380) 4.055 ======================= Grid point 335 (118/120) ======================= q-point: ( 0.22 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.619 0.256 0.389) 2.660 2.446 ( -2.472 -0.886 0.522) 2.677 3.485 ( 3.968 13.522 6.295) 15.435 3.619 ( 2.001 10.623 -2.515) 11.098 3.701 ( 0.359 -7.899 8.819) 11.845 3.908 ( -1.459 -16.459 -4.030) 17.008 4.450 ( 3.399 9.871 0.910) 10.480 4.670 ( 0.082 -9.982 1.347) 10.073 5.807 ( -1.839 10.024 -1.180) 10.259 5.858 ( 7.258 1.621 -0.685) 7.468 6.268 ( 4.510 1.318 3.225) 5.699 6.440 ( -2.012 -11.385 3.115) 11.974 7.108 ( 5.573 4.633 -0.452) 7.261 7.175 ( 4.221 -1.532 -0.748) 4.553 7.429 ( -3.882 4.636 4.893) 7.778 7.500 ( 5.851 -0.499 5.581) 8.101 7.574 ( 3.500 -1.623 -0.287) 3.868 7.606 ( 0.314 -4.773 -1.067) 4.901 8.111 ( -4.542 14.356 4.157) 15.621 8.183 ( -1.614 6.952 -0.478) 7.153 8.333 ( 0.737 -7.081 -0.629) 7.147 8.429 ( -5.529 -15.728 4.059) 17.158 8.849 ( 16.444 8.915 -0.730) 18.719 9.058 ( 14.339 -10.744 -0.949) 17.943 10.038 ( -5.771 10.874 -0.794) 12.336 10.212 ( -7.209 -3.441 -1.794) 8.187 10.754 ( 3.039 7.220 1.412) 7.960 10.899 ( 4.229 -6.140 1.373) 7.581 10.993 ( 4.854 17.633 2.937) 18.523 11.393 ( 8.725 4.578 0.492) 9.865 11.456 ( 6.611 -21.173 2.220) 22.291 11.577 ( 11.309 -10.654 -0.590) 15.548 12.053 ( -9.344 23.302 1.499) 25.151 12.570 ( -9.567 -25.072 6.919) 27.713 13.198 ( -10.358 9.426 -0.763) 14.025 13.381 ( -9.535 -8.264 -2.630) 12.889 14.060 ( 2.243 2.133 8.449) 8.998 14.079 ( 0.393 0.501 4.929) 4.970 14.321 ( 3.561 5.038 -12.346) 13.801 14.465 ( 5.126 -7.971 -7.030) 11.800 15.011 ( -5.973 8.197 -3.266) 10.655 15.107 ( -4.458 -1.315 -3.006) 5.535 ======================= Grid point 336 (119/120) ======================= q-point: ( 0.33 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -2.096 -0.212 -0.465) 2.157 2.398 ( -2.331 -1.297 -0.306) 2.685 3.582 ( 5.695 7.508 5.625) 10.975 3.666 ( 2.881 8.282 -2.374) 9.084 3.707 ( 0.120 -4.290 6.252) 7.584 3.880 ( -1.806 -12.706 -2.325) 13.043 4.564 ( 8.956 8.859 1.511) 12.688 4.740 ( 7.317 -7.050 2.212) 10.399 5.610 ( -15.006 11.900 -0.090) 19.152 5.843 ( -14.273 -10.293 0.367) 17.601 6.325 ( 10.710 12.789 1.864) 16.785 6.609 ( 13.826 -13.478 1.705) 19.384 7.126 ( -8.610 3.965 1.899) 9.667 7.182 ( -1.120 -1.266 1.703) 2.399 7.473 ( 8.272 5.701 -1.000) 10.095 7.613 ( 6.262 -7.380 0.380) 9.686 7.655 ( 6.968 3.038 2.545) 8.016 7.728 ( 9.318 -3.741 3.540) 10.647 8.022 ( -4.808 12.521 3.868) 13.959 8.137 ( -2.834 8.096 0.543) 8.595 8.302 ( -5.620 -11.762 3.136) 13.408 8.312 ( -5.225 -10.592 0.765) 11.836 9.170 ( 16.441 7.648 -0.357) 18.137 9.332 ( 13.427 -7.752 -0.441) 15.511 9.932 ( -5.211 6.676 -1.035) 8.532 10.053 ( -8.897 -3.928 -1.720) 9.876 10.845 ( 6.188 7.957 2.072) 10.291 10.988 ( 4.602 -4.725 2.294) 6.984 11.101 ( 6.511 20.848 1.422) 21.887 11.522 ( 3.427 -6.548 2.053) 7.670 11.549 ( 2.012 0.611 -0.476) 2.156 11.745 ( 4.473 -12.872 0.938) 13.659 11.910 ( -3.239 10.337 0.504) 10.844 12.366 ( -11.374 -25.806 5.343) 28.703 13.049 ( -3.979 10.536 -0.222) 11.264 13.224 ( -6.422 -6.754 -2.221) 9.581 14.058 ( -1.723 1.042 0.484) 2.071 14.074 ( -1.437 -0.199 4.728) 4.945 14.415 ( 6.296 8.045 -7.843) 12.880 14.580 ( 6.692 -7.363 -4.189) 10.796 14.880 ( -7.456 8.709 -3.010) 11.853 15.004 ( -6.201 -3.209 -2.543) 7.430 ======================= Grid point 337 (120/120) ======================= q-point: ( 0.44 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.94e-05 1.94e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -0.614 -0.798 -0.884) 1.340 2.364 ( -1.124 -1.242 -0.808) 1.860 3.670 ( 2.846 2.694 2.872) 4.858 3.701 ( -0.791 -0.249 3.394) 3.494 3.738 ( 4.839 2.172 0.268) 5.311 3.827 ( -3.885 -6.477 0.013) 7.553 4.787 ( 13.223 8.978 2.086) 16.118 4.908 ( 5.880 -0.354 3.137) 6.674 5.340 ( -8.134 3.567 -0.502) 8.896 5.490 ( -18.410 -8.885 0.637) 20.452 6.601 ( 15.665 12.576 0.953) 20.111 6.842 ( 2.503 -4.158 0.831) 4.924 6.927 ( -3.805 0.678 2.461) 4.582 7.085 ( -8.393 -8.187 2.192) 11.928 7.640 ( 7.638 4.876 -1.445) 9.177 7.709 ( 1.589 -0.936 -0.495) 1.910 7.795 ( 6.669 5.365 2.695) 8.973 7.892 ( 0.541 2.682 6.350) 6.915 7.957 ( 4.673 0.586 2.124) 5.167 8.104 ( -1.176 1.828 3.133) 3.813 8.153 ( -6.606 -10.304 1.953) 12.394 8.211 ( -6.093 -6.221 0.356) 8.715 9.445 ( 11.220 4.561 0.248) 12.114 9.523 ( 4.588 -2.839 0.414) 5.411 9.848 ( -2.533 1.893 -1.552) 3.522 9.895 ( -6.751 -2.415 -1.746) 7.380 10.970 ( 6.106 6.624 3.611) 9.706 11.040 ( -0.300 0.957 3.807) 3.937 11.247 ( 8.825 20.505 -0.640) 22.333 11.428 ( -9.305 13.648 -1.371) 16.575 11.623 ( 5.119 -2.030 0.705) 5.552 11.733 ( -4.957 -10.921 0.169) 11.994 11.965 ( 7.640 -14.683 1.960) 16.667 12.149 ( -10.956 -23.673 3.501) 26.320 13.055 ( 3.448 5.880 0.205) 6.819 13.130 ( -3.995 -1.603 -0.504) 4.334 14.025 ( -1.016 0.254 -0.808) 1.323 14.034 ( -1.892 -0.541 0.419) 2.012 14.554 ( 7.915 9.351 -4.633) 13.098 14.683 ( -1.151 2.843 -3.957) 5.007 14.762 ( 0.286 0.064 -2.066) 2.087 14.875 ( -7.089 -4.993 -2.196) 8.945 =================== 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 3/28350 10.0 4923.390 3538.284 3001.475 0.000 0.000 -0.000 3/28350 20.0 1268.182 1060.614 1082.200 0.000 0.000 -0.000 3/28350 30.0 484.021 388.288 527.001 0.000 0.000 -0.000 3/28350 40.0 224.361 184.968 294.826 0.000 0.000 -0.000 3/28350 50.0 121.849 104.778 182.304 0.000 0.000 -0.000 3/28350 60.0 75.242 67.103 123.156 0.000 0.000 -0.000 3/28350 70.0 51.286 47.001 89.455 0.000 0.000 -0.000 3/28350 80.0 37.653 35.187 68.745 0.000 0.000 -0.000 3/28350 90.0 29.227 27.701 55.162 0.000 0.000 -0.000 3/28350 100.0 23.662 22.662 45.761 0.000 0.000 -0.000 3/28350 110.0 19.783 19.101 38.961 0.000 0.000 -0.000 3/28350 120.0 16.959 16.481 33.861 0.000 0.000 -0.000 3/28350 130.0 14.828 14.489 29.919 0.000 0.000 -0.000 3/28350 140.0 13.171 12.931 26.795 0.000 0.000 -0.000 3/28350 150.0 11.851 11.683 24.266 0.000 0.000 -0.000 3/28350 160.0 10.776 10.663 22.180 0.000 0.000 -0.000 3/28350 170.0 9.885 9.814 20.433 0.000 0.000 -0.000 3/28350 180.0 9.136 9.097 18.949 0.000 0.000 -0.000 3/28350 190.0 8.496 8.484 17.674 0.000 0.000 -0.000 3/28350 200.0 7.944 7.952 16.566 0.000 0.000 -0.000 3/28350 210.0 7.462 7.488 15.594 0.000 0.000 -0.000 3/28350 220.0 7.039 7.078 14.735 0.000 0.000 -0.000 3/28350 230.0 6.663 6.713 13.970 0.000 0.000 -0.000 3/28350 240.0 6.327 6.386 13.285 0.000 0.000 -0.000 3/28350 250.0 6.025 6.092 12.666 0.000 0.000 -0.000 3/28350 260.0 5.752 5.825 12.105 0.000 0.000 -0.000 3/28350 270.0 5.504 5.582 11.594 0.000 0.000 -0.000 3/28350 280.0 5.277 5.359 11.126 0.000 0.000 -0.000 3/28350 290.0 5.069 5.154 10.696 0.000 0.000 -0.000 3/28350 300.0 4.878 4.965 10.299 0.000 0.000 -0.000 3/28350 310.0 4.701 4.790 9.932 0.000 0.000 -0.000 3/28350 320.0 4.537 4.628 9.591 0.000 0.000 -0.000 3/28350 330.0 4.385 4.476 9.274 0.000 0.000 -0.000 3/28350 340.0 4.243 4.335 8.978 0.000 0.000 -0.000 3/28350 350.0 4.110 4.202 8.700 0.000 0.000 -0.000 3/28350 360.0 3.985 4.078 8.440 0.000 0.000 -0.000 3/28350 370.0 3.868 3.961 8.196 0.000 0.000 -0.000 3/28350 380.0 3.758 3.851 7.966 0.000 0.000 -0.000 3/28350 390.0 3.654 3.747 7.748 0.000 0.000 -0.000 3/28350 400.0 3.556 3.649 7.543 0.000 0.000 -0.000 3/28350 410.0 3.464 3.555 7.349 0.000 0.000 -0.000 3/28350 420.0 3.376 3.467 7.164 0.000 0.000 -0.000 3/28350 430.0 3.292 3.383 6.989 0.000 0.000 -0.000 3/28350 440.0 3.213 3.303 6.822 0.000 0.000 -0.000 3/28350 450.0 3.138 3.227 6.664 0.000 0.000 -0.000 3/28350 460.0 3.066 3.154 6.512 0.000 0.000 -0.000 3/28350 470.0 2.997 3.085 6.368 0.000 0.000 -0.000 3/28350 480.0 2.932 3.018 6.230 0.000 0.000 -0.000 3/28350 490.0 2.869 2.955 6.098 0.000 0.000 -0.000 3/28350 500.0 2.809 2.894 5.971 0.000 0.000 -0.000 3/28350 510.0 2.752 2.836 5.850 0.000 0.000 -0.000 3/28350 520.0 2.697 2.780 5.734 0.000 0.000 -0.000 3/28350 530.0 2.644 2.726 5.622 0.000 0.000 -0.000 3/28350 540.0 2.593 2.674 5.515 0.000 0.000 -0.000 3/28350 550.0 2.544 2.624 5.412 0.000 0.000 -0.000 3/28350 560.0 2.497 2.576 5.312 0.000 0.000 -0.000 3/28350 570.0 2.452 2.530 5.217 0.000 0.000 -0.000 3/28350 580.0 2.408 2.486 5.124 0.000 0.000 -0.000 3/28350 590.0 2.366 2.443 5.035 0.000 0.000 -0.000 3/28350 600.0 2.325 2.401 4.949 0.000 0.000 -0.000 3/28350 610.0 2.286 2.361 4.866 0.000 0.000 -0.000 3/28350 620.0 2.248 2.322 4.786 0.000 0.000 -0.000 3/28350 630.0 2.211 2.285 4.708 0.000 0.000 -0.000 3/28350 640.0 2.176 2.249 4.633 0.000 0.000 -0.000 3/28350 650.0 2.142 2.213 4.561 0.000 0.000 -0.000 3/28350 660.0 2.108 2.179 4.490 0.000 0.000 -0.000 3/28350 670.0 2.076 2.146 4.422 0.000 0.000 -0.000 3/28350 680.0 2.045 2.114 4.356 0.000 0.000 -0.000 3/28350 690.0 2.015 2.083 4.291 0.000 0.000 -0.000 3/28350 700.0 1.985 2.053 4.229 0.000 0.000 -0.000 3/28350 710.0 1.957 2.024 4.169 0.000 0.000 -0.000 3/28350 720.0 1.929 1.995 4.110 0.000 0.000 -0.000 3/28350 730.0 1.902 1.968 4.053 0.000 0.000 -0.000 3/28350 740.0 1.876 1.941 3.997 0.000 0.000 -0.000 3/28350 750.0 1.850 1.915 3.943 0.000 0.000 -0.000 3/28350 760.0 1.825 1.889 3.890 0.000 0.000 -0.000 3/28350 770.0 1.801 1.864 3.839 0.000 0.000 -0.000 3/28350 780.0 1.778 1.840 3.789 0.000 0.000 -0.000 3/28350 790.0 1.755 1.817 3.741 0.000 0.000 -0.000 3/28350 800.0 1.733 1.794 3.693 0.000 0.000 -0.000 3/28350 810.0 1.711 1.771 3.647 0.000 0.000 -0.000 3/28350 820.0 1.690 1.750 3.602 0.000 0.000 -0.000 3/28350 830.0 1.669 1.728 3.558 0.000 0.000 -0.000 3/28350 840.0 1.649 1.708 3.515 0.000 0.000 -0.000 3/28350 850.0 1.629 1.687 3.474 0.000 0.000 -0.000 3/28350 860.0 1.610 1.667 3.433 0.000 0.000 -0.000 3/28350 870.0 1.591 1.648 3.393 0.000 0.000 -0.000 3/28350 880.0 1.573 1.629 3.354 0.000 0.000 -0.000 3/28350 890.0 1.555 1.611 3.316 0.000 0.000 -0.000 3/28350 900.0 1.537 1.593 3.279 0.000 0.000 -0.000 3/28350 910.0 1.520 1.575 3.242 0.000 0.000 -0.000 3/28350 920.0 1.504 1.558 3.207 0.000 0.000 -0.000 3/28350 930.0 1.487 1.541 3.172 0.000 0.000 -0.000 3/28350 940.0 1.471 1.525 3.138 0.000 0.000 -0.000 3/28350 950.0 1.456 1.508 3.105 0.000 0.000 -0.000 3/28350 960.0 1.440 1.493 3.072 0.000 0.000 -0.000 3/28350 970.0 1.425 1.477 3.040 0.000 0.000 -0.000 3/28350 980.0 1.411 1.462 3.009 0.000 0.000 -0.000 3/28350 990.0 1.396 1.447 2.978 0.000 0.000 -0.000 3/28350 1000.0 1.382 1.433 2.948 0.000 0.000 -0.000 3/28350 Thermal conductivity related properties were written into "kappa-m9515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:57:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|