----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:58:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.022779411041403 -4.521332085000000 0.000000000000000 b 4.022779411041403 4.521332085000000 0.000000000000000 c -1.365204185808149 0.000000000000000 7.358891437819151 Atomic positions (fractional): *1 P 0.69716310049387 0.30283689950613 0.75000000000000 30.974 2 P 0.30283689950613 0.69716310049387 0.25000000000000 30.974 *3 P 0.43023690675640 0.33745107683996 0.53278248570399 30.974 4 P 0.33745107683996 0.43023690675640 0.03278248570399 30.974 5 P 0.56976309324360 0.66254892316004 0.46721751429601 30.974 6 P 0.66254892316004 0.56976309324360 0.96721751429601 30.974 *7 Br 0.87503175782999 0.12496824217001 0.25000000000000 79.904 8 Br 0.12496824217001 0.87503175782999 0.75000000000000 79.904 *9 Cd 0.40110274411550 0.10361216873505 0.21001754127652 112.411 10 Cd 0.10361216873505 0.40110274411550 0.71001754127652 112.411 11 Cd 0.89638783126496 0.59889725588450 0.28998245872348 112.411 12 Cd 0.59889725588450 0.89638783126496 0.78998245872348 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.045558822082805 0.000000000000000 0.000000000000000 b 0.000000000000000 9.042664170000000 0.000000000000000 c -1.365204185808149 0.000000000000000 7.358891437819151 Atomic positions (fractional): *1 P 0.50000000000000 0.80283689950613 0.75000000000000 30.974 > 1 2 P 0.50000000000000 0.19716310049388 0.25000000000000 30.974 > 2 *3 P 0.38384399179818 0.95360708504178 0.53278248570399 30.974 > 3 4 P 0.38384399179818 0.04639291495822 0.03278248570399 30.974 > 4 5 P 0.61615600820182 0.04639291495822 0.46721751429601 30.974 > 5 6 P 0.61615600820182 0.95360708504178 0.96721751429601 30.974 > 6 7 P 0.00000000000000 0.30283689950613 0.75000000000000 30.974 > 1 8 P 0.00000000000000 0.69716310049387 0.25000000000000 30.974 > 2 9 P 0.88384399179818 0.45360708504178 0.53278248570399 30.974 > 3 10 P 0.88384399179818 0.54639291495822 0.03278248570399 30.974 > 4 11 P 0.11615600820182 0.54639291495822 0.46721751429601 30.974 > 5 12 P 0.11615600820182 0.45360708504178 0.96721751429601 30.974 > 6 *13 Br 0.50000000000000 0.62496824217001 0.25000000000000 79.904 > 7 14 Br 0.50000000000000 0.37503175782999 0.75000000000000 79.904 > 8 15 Br 0.00000000000000 0.12496824217001 0.25000000000000 79.904 > 7 16 Br 0.00000000000000 0.87503175782999 0.75000000000000 79.904 > 8 *17 Cd 0.25235745642527 0.85125471230977 0.21001754127652 112.411 > 9 18 Cd 0.25235745642527 0.14874528769023 0.71001754127652 112.411 > 10 19 Cd 0.74764254357473 0.85125471230977 0.28998245872348 112.411 > 11 20 Cd 0.74764254357473 0.14874528769023 0.78998245872348 112.411 > 12 21 Cd 0.75235745642527 0.35125471230977 0.21001754127652 112.411 > 9 22 Cd 0.75235745642527 0.64874528769023 0.71001754127652 112.411 > 10 23 Cd 0.24764254357473 0.35125471230977 0.28998245872348 112.411 > 11 24 Cd 0.24764254357473 0.64874528769023 0.78998245872348 112.411 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.091117644165610 0.000000000000000 0.000000000000000 b 0.000000000000000 9.042664170000000 0.000000000000000 c -2.730408371616298 0.000000000000000 14.717782875638301 Atomic positions (fractional): *1 P 0.25000000000000 0.80283689950613 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.80283689950613 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.80283689950613 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.80283689950613 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.19716310049388 0.12500000000000 30.974 > 2 6 P 0.75000000000000 0.19716310049388 0.12500000000000 30.974 > 2 7 P 0.25000000000000 0.19716310049388 0.62500000000000 30.974 > 2 8 P 0.75000000000000 0.19716310049388 0.62500000000000 30.974 > 2 *9 P 0.19192199589909 0.95360708504178 0.26639124285200 30.974 > 3 10 P 0.69192199589909 0.95360708504178 0.26639124285200 30.974 > 3 11 P 0.19192199589909 0.95360708504178 0.76639124285200 30.974 > 3 12 P 0.69192199589909 0.95360708504178 0.76639124285200 30.974 > 3 13 P 0.19192199589909 0.04639291495822 0.01639124285200 30.974 > 4 14 P 0.69192199589909 0.04639291495822 0.01639124285200 30.974 > 4 15 P 0.19192199589909 0.04639291495822 0.51639124285200 30.974 > 4 16 P 0.69192199589909 0.04639291495822 0.51639124285200 30.974 > 4 17 P 0.30807800410091 0.04639291495822 0.23360875714800 30.974 > 5 18 P 0.80807800410091 0.04639291495822 0.23360875714800 30.974 > 5 19 P 0.30807800410091 0.04639291495822 0.73360875714800 30.974 > 5 20 P 0.80807800410091 0.04639291495822 0.73360875714800 30.974 > 5 21 P 0.30807800410091 0.95360708504178 0.48360875714800 30.974 > 6 22 P 0.80807800410091 0.95360708504178 0.48360875714800 30.974 > 6 23 P 0.30807800410091 0.95360708504178 0.98360875714800 30.974 > 6 24 P 0.80807800410091 0.95360708504178 0.98360875714800 30.974 > 6 25 P 0.00000000000000 0.30283689950613 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.30283689950613 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.30283689950613 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.30283689950613 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.69716310049387 0.12500000000000 30.974 > 2 30 P 0.50000000000000 0.69716310049387 0.12500000000000 30.974 > 2 31 P 0.00000000000000 0.69716310049387 0.62500000000000 30.974 > 2 32 P 0.50000000000000 0.69716310049387 0.62500000000000 30.974 > 2 33 P 0.44192199589909 0.45360708504178 0.26639124285200 30.974 > 3 34 P 0.94192199589909 0.45360708504178 0.26639124285200 30.974 > 3 35 P 0.44192199589909 0.45360708504178 0.76639124285200 30.974 > 3 36 P 0.94192199589909 0.45360708504178 0.76639124285200 30.974 > 3 37 P 0.44192199589909 0.54639291495822 0.01639124285200 30.974 > 4 38 P 0.94192199589909 0.54639291495822 0.01639124285200 30.974 > 4 39 P 0.44192199589909 0.54639291495822 0.51639124285200 30.974 > 4 40 P 0.94192199589909 0.54639291495822 0.51639124285200 30.974 > 4 41 P 0.05807800410091 0.54639291495822 0.23360875714800 30.974 > 5 42 P 0.55807800410091 0.54639291495822 0.23360875714800 30.974 > 5 43 P 0.05807800410091 0.54639291495822 0.73360875714800 30.974 > 5 44 P 0.55807800410091 0.54639291495822 0.73360875714800 30.974 > 5 45 P 0.05807800410091 0.45360708504178 0.48360875714800 30.974 > 6 46 P 0.55807800410091 0.45360708504178 0.48360875714800 30.974 > 6 47 P 0.05807800410091 0.45360708504178 0.98360875714800 30.974 > 6 48 P 0.55807800410091 0.45360708504178 0.98360875714800 30.974 > 6 *49 Br 0.25000000000000 0.62496824217001 0.12500000000000 79.904 > 7 50 Br 0.75000000000000 0.62496824217001 0.12500000000000 79.904 > 7 51 Br 0.25000000000000 0.62496824217001 0.62500000000000 79.904 > 7 52 Br 0.75000000000000 0.62496824217001 0.62500000000000 79.904 > 7 53 Br 0.25000000000000 0.37503175782999 0.37500000000000 79.904 > 8 54 Br 0.75000000000000 0.37503175782999 0.37500000000000 79.904 > 8 55 Br 0.25000000000000 0.37503175782999 0.87500000000000 79.904 > 8 56 Br 0.75000000000000 0.37503175782999 0.87500000000000 79.904 > 8 57 Br 0.00000000000000 0.12496824217001 0.12500000000000 79.904 > 7 58 Br 0.50000000000000 0.12496824217001 0.12500000000000 79.904 > 7 59 Br 0.00000000000000 0.12496824217001 0.62500000000000 79.904 > 7 60 Br 0.50000000000000 0.12496824217001 0.62500000000000 79.904 > 7 61 Br 0.00000000000000 0.87503175782999 0.37500000000000 79.904 > 8 62 Br 0.50000000000000 0.87503175782999 0.37500000000000 79.904 > 8 63 Br 0.00000000000000 0.87503175782999 0.87500000000000 79.904 > 8 64 Br 0.50000000000000 0.87503175782999 0.87500000000000 79.904 > 8 *65 Cd 0.12617872821264 0.85125471230977 0.10500877063826 112.411 > 9 66 Cd 0.62617872821264 0.85125471230977 0.10500877063826 112.411 > 9 67 Cd 0.12617872821264 0.85125471230977 0.60500877063826 112.411 > 9 68 Cd 0.62617872821264 0.85125471230977 0.60500877063826 112.411 > 9 69 Cd 0.12617872821264 0.14874528769023 0.35500877063826 112.411 > 10 70 Cd 0.62617872821264 0.14874528769023 0.35500877063826 112.411 > 10 71 Cd 0.12617872821264 0.14874528769023 0.85500877063826 112.411 > 10 72 Cd 0.62617872821264 0.14874528769023 0.85500877063826 112.411 > 10 73 Cd 0.37382127178736 0.85125471230977 0.14499122936174 112.411 > 11 74 Cd 0.87382127178736 0.85125471230977 0.14499122936174 112.411 > 11 75 Cd 0.37382127178736 0.85125471230977 0.64499122936174 112.411 > 11 76 Cd 0.87382127178736 0.85125471230977 0.64499122936174 112.411 > 11 77 Cd 0.37382127178736 0.14874528769023 0.39499122936174 112.411 > 12 78 Cd 0.87382127178736 0.14874528769023 0.39499122936174 112.411 > 12 79 Cd 0.37382127178736 0.14874528769023 0.89499122936174 112.411 > 12 80 Cd 0.87382127178736 0.14874528769023 0.89499122936174 112.411 > 12 81 Cd 0.37617872821264 0.35125471230977 0.10500877063826 112.411 > 9 82 Cd 0.87617872821264 0.35125471230977 0.10500877063826 112.411 > 9 83 Cd 0.37617872821264 0.35125471230977 0.60500877063826 112.411 > 9 84 Cd 0.87617872821264 0.35125471230977 0.60500877063826 112.411 > 9 85 Cd 0.37617872821264 0.64874528769023 0.35500877063826 112.411 > 10 86 Cd 0.87617872821264 0.64874528769023 0.35500877063826 112.411 > 10 87 Cd 0.37617872821264 0.64874528769023 0.85500877063826 112.411 > 10 88 Cd 0.87617872821264 0.64874528769023 0.85500877063826 112.411 > 10 89 Cd 0.12382127178736 0.35125471230977 0.14499122936174 112.411 > 11 90 Cd 0.62382127178736 0.35125471230977 0.14499122936174 112.411 > 11 91 Cd 0.12382127178736 0.35125471230977 0.64499122936174 112.411 > 11 92 Cd 0.62382127178736 0.35125471230977 0.64499122936174 112.411 > 11 93 Cd 0.12382127178736 0.64874528769023 0.39499122936174 112.411 > 12 94 Cd 0.62382127178736 0.64874528769023 0.39499122936174 112.411 > 12 95 Cd 0.12382127178736 0.64874528769023 0.89499122936174 112.411 > 12 96 Cd 0.62382127178736 0.64874528769023 0.89499122936174 112.411 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5809945 0.0000000 0.0822800 0.0000000 9.2954614 0.0000000 0.0822808 0.0000000 10.5037942 -------------------------- Born effective charges -------------------------- 1 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 2 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 3 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 4 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 5 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 6 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 7 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 8 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 9 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 10 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 11 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 12 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.556 Solver_block: 200 / 400 - Time: 1.592 Solver_block: 300 / 400 - Time: 1.580 Solver_block: 400 / 400 - Time: 1.582 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.342 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 07:58:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:58:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.022779411041403 -4.521332085000000 0.000000000000000 b 4.022779411041403 4.521332085000000 0.000000000000000 c -1.365204185808149 0.000000000000000 7.358891437819151 Atomic positions (fractional): 1 P 0.69716310049387 0.30283689950613 0.75000000000000 30.974 2 P 0.30283689950613 0.69716310049387 0.25000000000000 30.974 3 P 0.43023690675640 0.33745107683996 0.53278248570399 30.974 4 P 0.33745107683996 0.43023690675640 0.03278248570399 30.974 5 P 0.56976309324360 0.66254892316004 0.46721751429601 30.974 6 P 0.66254892316004 0.56976309324360 0.96721751429601 30.974 7 Br 0.87503175782999 0.12496824217001 0.25000000000000 79.904 8 Br 0.12496824217001 0.87503175782999 0.75000000000000 79.904 9 Cd 0.40110274411550 0.10361216873505 0.21001754127652 112.411 10 Cd 0.10361216873505 0.40110274411550 0.71001754127652 112.411 11 Cd 0.89638783126496 0.59889725588450 0.28998245872348 112.411 12 Cd 0.59889725588450 0.89638783126496 0.78998245872348 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.091117644165610 0.000000000000000 0.000000000000000 b 0.000000000000000 9.042664170000000 0.000000000000000 c -2.730408371616298 0.000000000000000 14.717782875638301 Atomic positions (fractional): 1 P 0.25000000000000 0.80283689950613 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.80283689950613 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.80283689950613 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.80283689950613 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.19716310049388 0.12500000000000 30.974 > 5 6 P 0.75000000000000 0.19716310049388 0.12500000000000 30.974 > 5 7 P 0.25000000000000 0.19716310049388 0.62500000000000 30.974 > 5 8 P 0.75000000000000 0.19716310049388 0.62500000000000 30.974 > 5 9 P 0.19192199589909 0.95360708504178 0.26639124285200 30.974 > 9 10 P 0.69192199589909 0.95360708504178 0.26639124285200 30.974 > 9 11 P 0.19192199589909 0.95360708504178 0.76639124285200 30.974 > 9 12 P 0.69192199589909 0.95360708504178 0.76639124285200 30.974 > 9 13 P 0.19192199589909 0.04639291495822 0.01639124285200 30.974 > 13 14 P 0.69192199589909 0.04639291495822 0.01639124285200 30.974 > 13 15 P 0.19192199589909 0.04639291495822 0.51639124285200 30.974 > 13 16 P 0.69192199589909 0.04639291495822 0.51639124285200 30.974 > 13 17 P 0.30807800410091 0.04639291495822 0.23360875714800 30.974 > 17 18 P 0.80807800410091 0.04639291495822 0.23360875714800 30.974 > 17 19 P 0.30807800410091 0.04639291495822 0.73360875714800 30.974 > 17 20 P 0.80807800410091 0.04639291495822 0.73360875714800 30.974 > 17 21 P 0.30807800410091 0.95360708504178 0.48360875714800 30.974 > 21 22 P 0.80807800410091 0.95360708504178 0.48360875714800 30.974 > 21 23 P 0.30807800410091 0.95360708504178 0.98360875714800 30.974 > 21 24 P 0.80807800410091 0.95360708504178 0.98360875714800 30.974 > 21 25 P 0.00000000000000 0.30283689950613 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.30283689950613 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.30283689950613 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.30283689950613 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.69716310049387 0.12500000000000 30.974 > 5 30 P 0.50000000000000 0.69716310049387 0.12500000000000 30.974 > 5 31 P 0.00000000000000 0.69716310049387 0.62500000000000 30.974 > 5 32 P 0.50000000000000 0.69716310049387 0.62500000000000 30.974 > 5 33 P 0.44192199589909 0.45360708504178 0.26639124285200 30.974 > 9 34 P 0.94192199589909 0.45360708504178 0.26639124285200 30.974 > 9 35 P 0.44192199589909 0.45360708504178 0.76639124285200 30.974 > 9 36 P 0.94192199589909 0.45360708504178 0.76639124285200 30.974 > 9 37 P 0.44192199589909 0.54639291495822 0.01639124285200 30.974 > 13 38 P 0.94192199589909 0.54639291495822 0.01639124285200 30.974 > 13 39 P 0.44192199589909 0.54639291495822 0.51639124285200 30.974 > 13 40 P 0.94192199589909 0.54639291495822 0.51639124285200 30.974 > 13 41 P 0.05807800410091 0.54639291495822 0.23360875714800 30.974 > 17 42 P 0.55807800410091 0.54639291495822 0.23360875714800 30.974 > 17 43 P 0.05807800410091 0.54639291495822 0.73360875714800 30.974 > 17 44 P 0.55807800410091 0.54639291495822 0.73360875714800 30.974 > 17 45 P 0.05807800410091 0.45360708504178 0.48360875714800 30.974 > 21 46 P 0.55807800410091 0.45360708504178 0.48360875714800 30.974 > 21 47 P 0.05807800410091 0.45360708504178 0.98360875714800 30.974 > 21 48 P 0.55807800410091 0.45360708504178 0.98360875714800 30.974 > 21 49 Br 0.25000000000000 0.62496824217001 0.12500000000000 79.904 > 49 50 Br 0.75000000000000 0.62496824217001 0.12500000000000 79.904 > 49 51 Br 0.25000000000000 0.62496824217001 0.62500000000000 79.904 > 49 52 Br 0.75000000000000 0.62496824217001 0.62500000000000 79.904 > 49 53 Br 0.25000000000000 0.37503175782999 0.37500000000000 79.904 > 53 54 Br 0.75000000000000 0.37503175782999 0.37500000000000 79.904 > 53 55 Br 0.25000000000000 0.37503175782999 0.87500000000000 79.904 > 53 56 Br 0.75000000000000 0.37503175782999 0.87500000000000 79.904 > 53 57 Br 0.00000000000000 0.12496824217001 0.12500000000000 79.904 > 49 58 Br 0.50000000000000 0.12496824217001 0.12500000000000 79.904 > 49 59 Br 0.00000000000000 0.12496824217001 0.62500000000000 79.904 > 49 60 Br 0.50000000000000 0.12496824217001 0.62500000000000 79.904 > 49 61 Br 0.00000000000000 0.87503175782999 0.37500000000000 79.904 > 53 62 Br 0.50000000000000 0.87503175782999 0.37500000000000 79.904 > 53 63 Br 0.00000000000000 0.87503175782999 0.87500000000000 79.904 > 53 64 Br 0.50000000000000 0.87503175782999 0.87500000000000 79.904 > 53 65 Cd 0.12617872821264 0.85125471230977 0.10500877063826 112.411 > 65 66 Cd 0.62617872821264 0.85125471230977 0.10500877063826 112.411 > 65 67 Cd 0.12617872821264 0.85125471230977 0.60500877063826 112.411 > 65 68 Cd 0.62617872821264 0.85125471230977 0.60500877063826 112.411 > 65 69 Cd 0.12617872821264 0.14874528769023 0.35500877063826 112.411 > 69 70 Cd 0.62617872821264 0.14874528769023 0.35500877063826 112.411 > 69 71 Cd 0.12617872821264 0.14874528769023 0.85500877063826 112.411 > 69 72 Cd 0.62617872821264 0.14874528769023 0.85500877063826 112.411 > 69 73 Cd 0.37382127178736 0.85125471230977 0.14499122936174 112.411 > 73 74 Cd 0.87382127178736 0.85125471230977 0.14499122936174 112.411 > 73 75 Cd 0.37382127178736 0.85125471230977 0.64499122936174 112.411 > 73 76 Cd 0.87382127178736 0.85125471230977 0.64499122936174 112.411 > 73 77 Cd 0.37382127178736 0.14874528769023 0.39499122936174 112.411 > 77 78 Cd 0.87382127178736 0.14874528769023 0.39499122936174 112.411 > 77 79 Cd 0.37382127178736 0.14874528769023 0.89499122936174 112.411 > 77 80 Cd 0.87382127178736 0.14874528769023 0.89499122936174 112.411 > 77 81 Cd 0.37617872821264 0.35125471230977 0.10500877063826 112.411 > 65 82 Cd 0.87617872821264 0.35125471230977 0.10500877063826 112.411 > 65 83 Cd 0.37617872821264 0.35125471230977 0.60500877063826 112.411 > 65 84 Cd 0.87617872821264 0.35125471230977 0.60500877063826 112.411 > 65 85 Cd 0.37617872821264 0.64874528769023 0.35500877063826 112.411 > 69 86 Cd 0.87617872821264 0.64874528769023 0.35500877063826 112.411 > 69 87 Cd 0.37617872821264 0.64874528769023 0.85500877063826 112.411 > 69 88 Cd 0.87617872821264 0.64874528769023 0.85500877063826 112.411 > 69 89 Cd 0.12382127178736 0.35125471230977 0.14499122936174 112.411 > 73 90 Cd 0.62382127178736 0.35125471230977 0.14499122936174 112.411 > 73 91 Cd 0.12382127178736 0.35125471230977 0.64499122936174 112.411 > 73 92 Cd 0.62382127178736 0.35125471230977 0.64499122936174 112.411 > 73 93 Cd 0.12382127178736 0.64874528769023 0.39499122936174 112.411 > 77 94 Cd 0.62382127178736 0.64874528769023 0.39499122936174 112.411 > 77 95 Cd 0.12382127178736 0.64874528769023 0.89499122936174 112.411 > 77 96 Cd 0.62382127178736 0.64874528769023 0.89499122936174 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5809945 0.0000000 0.0822800 0.0000000 9.2954614 0.0000000 0.0822808 0.0000000 10.5037942 -------------------------- Born effective charges -------------------------- 1 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 2 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 3 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 4 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 5 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 6 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 7 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 8 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 9 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 10 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 11 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 12 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 9, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:58:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:58:38]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.022779411041403 -4.521332085000000 0.000000000000000 b 4.022779411041403 4.521332085000000 0.000000000000000 c -1.365204185808149 0.000000000000000 7.358891437819151 Atomic positions (fractional): 1 P 0.69716310049387 0.30283689950613 0.75000000000000 30.974 2 P 0.30283689950613 0.69716310049387 0.25000000000000 30.974 3 P 0.43023690675640 0.33745107683996 0.53278248570399 30.974 4 P 0.33745107683996 0.43023690675640 0.03278248570399 30.974 5 P 0.56976309324360 0.66254892316004 0.46721751429601 30.974 6 P 0.66254892316004 0.56976309324360 0.96721751429601 30.974 7 Br 0.87503175782999 0.12496824217001 0.25000000000000 79.904 8 Br 0.12496824217001 0.87503175782999 0.75000000000000 79.904 9 Cd 0.40110274411550 0.10361216873505 0.21001754127652 112.411 10 Cd 0.10361216873505 0.40110274411550 0.71001754127652 112.411 11 Cd 0.89638783126496 0.59889725588450 0.28998245872348 112.411 12 Cd 0.59889725588450 0.89638783126496 0.78998245872348 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.091117644165610 0.000000000000000 0.000000000000000 b 0.000000000000000 9.042664170000000 0.000000000000000 c -2.730408371616298 0.000000000000000 14.717782875638301 Atomic positions (fractional): 1 P 0.25000000000000 0.80283689950613 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.80283689950613 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.80283689950613 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.80283689950613 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.19716310049388 0.12500000000000 30.974 > 5 6 P 0.75000000000000 0.19716310049388 0.12500000000000 30.974 > 5 7 P 0.25000000000000 0.19716310049388 0.62500000000000 30.974 > 5 8 P 0.75000000000000 0.19716310049388 0.62500000000000 30.974 > 5 9 P 0.19192199589909 0.95360708504178 0.26639124285200 30.974 > 9 10 P 0.69192199589909 0.95360708504178 0.26639124285200 30.974 > 9 11 P 0.19192199589909 0.95360708504178 0.76639124285200 30.974 > 9 12 P 0.69192199589909 0.95360708504178 0.76639124285200 30.974 > 9 13 P 0.19192199589909 0.04639291495822 0.01639124285200 30.974 > 13 14 P 0.69192199589909 0.04639291495822 0.01639124285200 30.974 > 13 15 P 0.19192199589909 0.04639291495822 0.51639124285200 30.974 > 13 16 P 0.69192199589909 0.04639291495822 0.51639124285200 30.974 > 13 17 P 0.30807800410091 0.04639291495822 0.23360875714800 30.974 > 17 18 P 0.80807800410091 0.04639291495822 0.23360875714800 30.974 > 17 19 P 0.30807800410091 0.04639291495822 0.73360875714800 30.974 > 17 20 P 0.80807800410091 0.04639291495822 0.73360875714800 30.974 > 17 21 P 0.30807800410091 0.95360708504178 0.48360875714800 30.974 > 21 22 P 0.80807800410091 0.95360708504178 0.48360875714800 30.974 > 21 23 P 0.30807800410091 0.95360708504178 0.98360875714800 30.974 > 21 24 P 0.80807800410091 0.95360708504178 0.98360875714800 30.974 > 21 25 P 0.00000000000000 0.30283689950613 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.30283689950613 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.30283689950613 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.30283689950613 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.69716310049387 0.12500000000000 30.974 > 5 30 P 0.50000000000000 0.69716310049387 0.12500000000000 30.974 > 5 31 P 0.00000000000000 0.69716310049387 0.62500000000000 30.974 > 5 32 P 0.50000000000000 0.69716310049387 0.62500000000000 30.974 > 5 33 P 0.44192199589909 0.45360708504178 0.26639124285200 30.974 > 9 34 P 0.94192199589909 0.45360708504178 0.26639124285200 30.974 > 9 35 P 0.44192199589909 0.45360708504178 0.76639124285200 30.974 > 9 36 P 0.94192199589909 0.45360708504178 0.76639124285200 30.974 > 9 37 P 0.44192199589909 0.54639291495822 0.01639124285200 30.974 > 13 38 P 0.94192199589909 0.54639291495822 0.01639124285200 30.974 > 13 39 P 0.44192199589909 0.54639291495822 0.51639124285200 30.974 > 13 40 P 0.94192199589909 0.54639291495822 0.51639124285200 30.974 > 13 41 P 0.05807800410091 0.54639291495822 0.23360875714800 30.974 > 17 42 P 0.55807800410091 0.54639291495822 0.23360875714800 30.974 > 17 43 P 0.05807800410091 0.54639291495822 0.73360875714800 30.974 > 17 44 P 0.55807800410091 0.54639291495822 0.73360875714800 30.974 > 17 45 P 0.05807800410091 0.45360708504178 0.48360875714800 30.974 > 21 46 P 0.55807800410091 0.45360708504178 0.48360875714800 30.974 > 21 47 P 0.05807800410091 0.45360708504178 0.98360875714800 30.974 > 21 48 P 0.55807800410091 0.45360708504178 0.98360875714800 30.974 > 21 49 Br 0.25000000000000 0.62496824217001 0.12500000000000 79.904 > 49 50 Br 0.75000000000000 0.62496824217001 0.12500000000000 79.904 > 49 51 Br 0.25000000000000 0.62496824217001 0.62500000000000 79.904 > 49 52 Br 0.75000000000000 0.62496824217001 0.62500000000000 79.904 > 49 53 Br 0.25000000000000 0.37503175782999 0.37500000000000 79.904 > 53 54 Br 0.75000000000000 0.37503175782999 0.37500000000000 79.904 > 53 55 Br 0.25000000000000 0.37503175782999 0.87500000000000 79.904 > 53 56 Br 0.75000000000000 0.37503175782999 0.87500000000000 79.904 > 53 57 Br 0.00000000000000 0.12496824217001 0.12500000000000 79.904 > 49 58 Br 0.50000000000000 0.12496824217001 0.12500000000000 79.904 > 49 59 Br 0.00000000000000 0.12496824217001 0.62500000000000 79.904 > 49 60 Br 0.50000000000000 0.12496824217001 0.62500000000000 79.904 > 49 61 Br 0.00000000000000 0.87503175782999 0.37500000000000 79.904 > 53 62 Br 0.50000000000000 0.87503175782999 0.37500000000000 79.904 > 53 63 Br 0.00000000000000 0.87503175782999 0.87500000000000 79.904 > 53 64 Br 0.50000000000000 0.87503175782999 0.87500000000000 79.904 > 53 65 Cd 0.12617872821264 0.85125471230977 0.10500877063826 112.411 > 65 66 Cd 0.62617872821264 0.85125471230977 0.10500877063826 112.411 > 65 67 Cd 0.12617872821264 0.85125471230977 0.60500877063826 112.411 > 65 68 Cd 0.62617872821264 0.85125471230977 0.60500877063826 112.411 > 65 69 Cd 0.12617872821264 0.14874528769023 0.35500877063826 112.411 > 69 70 Cd 0.62617872821264 0.14874528769023 0.35500877063826 112.411 > 69 71 Cd 0.12617872821264 0.14874528769023 0.85500877063826 112.411 > 69 72 Cd 0.62617872821264 0.14874528769023 0.85500877063826 112.411 > 69 73 Cd 0.37382127178736 0.85125471230977 0.14499122936174 112.411 > 73 74 Cd 0.87382127178736 0.85125471230977 0.14499122936174 112.411 > 73 75 Cd 0.37382127178736 0.85125471230977 0.64499122936174 112.411 > 73 76 Cd 0.87382127178736 0.85125471230977 0.64499122936174 112.411 > 73 77 Cd 0.37382127178736 0.14874528769023 0.39499122936174 112.411 > 77 78 Cd 0.87382127178736 0.14874528769023 0.39499122936174 112.411 > 77 79 Cd 0.37382127178736 0.14874528769023 0.89499122936174 112.411 > 77 80 Cd 0.87382127178736 0.14874528769023 0.89499122936174 112.411 > 77 81 Cd 0.37617872821264 0.35125471230977 0.10500877063826 112.411 > 65 82 Cd 0.87617872821264 0.35125471230977 0.10500877063826 112.411 > 65 83 Cd 0.37617872821264 0.35125471230977 0.60500877063826 112.411 > 65 84 Cd 0.87617872821264 0.35125471230977 0.60500877063826 112.411 > 65 85 Cd 0.37617872821264 0.64874528769023 0.35500877063826 112.411 > 69 86 Cd 0.87617872821264 0.64874528769023 0.35500877063826 112.411 > 69 87 Cd 0.37617872821264 0.64874528769023 0.85500877063826 112.411 > 69 88 Cd 0.87617872821264 0.64874528769023 0.85500877063826 112.411 > 69 89 Cd 0.12382127178736 0.35125471230977 0.14499122936174 112.411 > 73 90 Cd 0.62382127178736 0.35125471230977 0.14499122936174 112.411 > 73 91 Cd 0.12382127178736 0.35125471230977 0.64499122936174 112.411 > 73 92 Cd 0.62382127178736 0.35125471230977 0.64499122936174 112.411 > 73 93 Cd 0.12382127178736 0.64874528769023 0.39499122936174 112.411 > 77 94 Cd 0.62382127178736 0.64874528769023 0.39499122936174 112.411 > 77 95 Cd 0.12382127178736 0.64874528769023 0.89499122936174 112.411 > 77 96 Cd 0.62382127178736 0.64874528769023 0.89499122936174 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5809945 0.0000000 0.0822800 0.0000000 9.2954614 0.0000000 0.0822808 0.0000000 10.5037942 -------------------------- Born effective charges -------------------------- 1 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 2 P -0.9215404 0.0000000 0.2203291 0.0000000 -0.5763830 0.0000000 0.5600878 0.0000000 -0.2386882 3 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 4 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 5 P -0.6172290 0.2801824 -0.1441019 0.0341132 -0.8111499 -0.3573511 -0.3430928 -0.1102558 -1.3499632 6 P -0.6172290 -0.2801824 -0.1441019 -0.0341132 -0.8111499 0.3573511 -0.3430928 0.1102558 -1.3499632 7 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 8 Br -2.4237579 0.0000000 -0.2174354 0.0000000 -2.2641685 0.0000000 -0.1003844 0.0000000 -1.2840295 9 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 10 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 11 Cd 2.2898782 -0.1652382 0.1426551 -0.2150519 2.2314257 -0.1089595 0.1132411 -0.0569493 2.1113220 12 Cd 2.2898782 0.1652382 0.1426551 0.2150519 2.2314257 0.1089595 0.1132411 0.0569493 2.1113220 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 14.008 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 9.471 -13.600 2.401) 16.745 0.447 ( 14.842 -12.551 6.458) 20.482 0.844 ( 25.664 -17.848 -2.783) 31.384 1.155 ( 12.594 -8.545 0.951) 15.249 1.391 ( 0.375 2.574 4.154) 4.901 1.523 ( -1.232 -0.959 -0.137) 1.567 1.628 ( 1.585 -2.518 0.462) 3.011 1.710 ( 6.528 0.755 -0.395) 6.583 2.003 ( -1.658 0.844 -0.028) 1.860 2.175 ( 2.479 -11.855 -1.357) 12.187 2.210 ( -5.137 -2.929 2.361) 6.367 2.429 ( 7.695 -0.197 -4.071) 8.708 2.620 ( 0.153 0.283 0.856) 0.915 2.968 ( 1.957 -1.122 -0.488) 2.308 3.129 ( 4.322 4.561 -1.095) 6.379 3.160 ( 4.219 3.202 6.880) 8.682 3.324 ( -0.773 -1.133 -0.586) 1.491 3.469 ( 1.289 -2.215 3.168) 4.074 3.726 ( -4.085 -6.376 -6.667) 10.089 5.066 ( -1.617 -3.101 -0.478) 3.530 5.338 ( 4.783 5.352 11.159) 13.268 6.077 ( 0.379 1.949 -2.792) 3.426 7.025 ( -7.781 0.381 1.229) 7.886 8.306 ( -4.893 4.281 -2.312) 6.900 8.573 ( 1.602 3.432 -1.222) 3.979 9.493 ( -7.606 -2.722 -6.594) 10.428 9.606 ( 0.461 7.819 0.599) 7.855 9.789 ( 6.091 -3.945 6.071) 9.462 10.053 ( 2.044 -4.301 -1.721) 5.063 10.460 ( 2.374 -1.195 -0.996) 2.838 13.086 ( -0.094 -0.288 0.073) 0.312 13.160 ( 0.009 0.883 1.271) 1.547 13.353 ( -0.247 -0.347 0.519) 0.671 13.482 ( 0.968 -1.753 -0.078) 2.004 13.912 ( -0.008 0.089 -0.351) 0.362 14.005 ( -0.281 0.207 0.185) 0.395 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 6.606 -9.658 1.649) 11.817 0.814 ( 9.979 -8.800 5.000) 14.214 1.246 ( 14.726 -3.049 0.586) 15.050 1.371 ( 1.797 3.349 2.012) 4.301 1.473 ( 8.575 -4.749 -6.122) 11.557 1.536 ( 0.446 -3.173 3.230) 4.550 1.697 ( 2.169 -1.468 2.137) 3.380 1.796 ( 0.234 -5.170 0.372) 5.189 1.962 ( -3.021 0.001 -0.846) 3.137 2.189 ( -2.213 -1.204 3.148) 4.032 2.458 ( 4.745 -6.927 5.138) 9.843 2.498 ( 5.561 0.232 -5.392) 7.749 2.792 ( 14.309 -16.748 -5.694) 22.752 3.004 ( -1.131 -0.171 1.726) 2.071 3.109 ( -0.623 -1.873 -0.343) 2.003 3.226 ( 6.443 3.137 3.371) 7.919 3.358 ( 2.830 -1.884 -3.061) 4.575 3.548 ( 2.688 -3.365 3.071) 5.290 3.737 ( -1.738 -4.446 -3.513) 5.927 5.094 ( -1.274 -3.937 0.538) 4.173 5.369 ( 3.527 3.885 5.995) 7.967 6.028 ( -0.125 3.799 -4.474) 5.871 6.855 ( -9.697 4.417 2.868) 11.035 8.146 ( -5.148 5.335 -2.680) 7.883 8.518 ( -0.458 5.144 -0.436) 5.182 9.420 ( -6.177 -4.963 -7.073) 10.621 9.511 ( 1.255 8.255 4.563) 9.515 9.954 ( 4.855 -4.676 4.586) 8.153 10.126 ( 1.547 -2.467 -1.464) 3.259 10.527 ( 3.340 -1.976 -1.524) 4.169 13.090 ( -0.085 -0.414 0.064) 0.428 13.152 ( 0.063 0.707 0.442) 0.836 13.358 ( -0.119 -0.526 0.819) 0.981 13.527 ( 1.099 -2.019 -0.111) 2.301 13.909 ( -0.019 0.078 -0.539) 0.545 13.996 ( -0.399 0.292 0.270) 0.563 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 2.816 -4.452 0.788) 5.327 0.995 ( 2.530 -1.759 2.574) 4.015 1.352 ( 1.750 1.310 0.726) 2.303 1.485 ( 9.764 -0.846 1.766) 9.958 1.548 ( 1.004 -2.815 -0.582) 3.045 1.640 ( 5.833 -0.736 -2.985) 6.594 1.737 ( 1.402 0.008 1.312) 1.921 1.856 ( -2.391 -4.812 1.805) 5.669 1.903 ( -4.413 -0.610 -1.183) 4.610 2.171 ( -1.717 0.143 2.216) 2.808 2.496 ( 0.687 -0.326 0.329) 0.828 2.635 ( 7.424 -1.134 -0.221) 7.514 2.923 ( -6.343 1.224 2.387) 6.887 3.124 ( 2.409 -3.831 -0.985) 4.632 3.271 ( 3.408 2.056 1.411) 4.223 3.328 ( 10.635 -13.024 -3.869) 17.254 3.420 ( 3.064 -0.850 -3.151) 4.476 3.643 ( 1.026 -2.929 1.991) 3.687 3.836 ( 6.808 -9.199 -1.851) 11.593 5.111 ( -2.520 -0.474 2.153) 3.348 5.365 ( 1.005 2.763 2.452) 3.828 5.954 ( -0.484 3.679 -3.693) 5.235 6.658 ( -7.507 4.116 2.826) 9.016 8.010 ( -3.043 3.433 -1.965) 4.991 8.437 ( -1.064 3.793 -0.285) 3.949 9.395 ( -4.599 -6.385 -7.248) 10.698 9.446 ( 2.436 7.783 6.416) 10.377 10.081 ( 1.929 -4.147 3.059) 5.503 10.161 ( 1.570 0.202 -1.378) 2.099 10.593 ( 2.179 -1.422 -1.112) 2.830 13.095 ( 0.031 -0.365 0.047) 0.370 13.145 ( -0.033 0.442 0.125) 0.461 13.367 ( 0.047 -0.459 0.624) 0.776 13.563 ( 0.617 -1.166 -0.063) 1.321 13.906 ( -0.009 0.005 -0.417) 0.417 13.988 ( -0.283 0.205 0.196) 0.401 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 -0.000 -0.000) 0.000 1.014 ( 0.000 -0.000 0.000) 0.000 1.361 ( 0.000 -0.000 -0.000) 0.000 1.578 ( 0.000 0.000 -0.000) 0.000 1.580 ( -0.000 -0.000 0.000) 0.000 1.697 ( 0.000 -0.000 -0.000) 0.000 1.748 ( 0.000 -0.000 0.000) 0.000 1.859 ( 0.000 -0.000 0.000) 0.000 1.870 ( 0.000 -0.000 -0.000) 0.000 2.159 ( 0.000 -0.000 -0.000) 0.000 2.505 ( 0.000 -0.000 0.000) 0.000 2.732 ( -0.000 -0.000 -0.000) 0.000 2.836 ( 0.000 -0.000 -0.000) 0.000 3.167 ( 0.000 -0.000 0.000) 0.000 3.280 ( 0.000 -0.000 -0.000) 0.000 3.446 ( 0.000 -0.000 -0.000) 0.000 3.480 ( 0.000 -0.000 0.000) 0.000 3.667 ( 0.000 -0.000 0.000) 0.000 4.033 ( 0.000 -0.000 0.000) 0.000 5.064 ( 0.000 -0.000 0.000) 0.000 5.361 ( 0.000 -0.000 -0.000) 0.000 5.915 ( 0.000 -0.000 -0.000) 0.000 6.569 ( 0.000 -0.000 0.000) 0.000 7.959 ( 0.000 -0.000 0.000) 0.000 8.399 ( 0.000 -0.000 -0.000) 0.000 9.407 ( -3.405 -7.208 -7.149) 10.708 9.407 ( 3.405 7.208 7.149) 10.708 10.134 ( 0.000 -0.000 -0.000) 0.000 10.167 ( 0.000 -0.000 0.000) 0.000 10.619 ( 0.000 -0.000 0.000) 0.000 13.099 ( 0.000 -0.000 0.000) 0.000 13.141 ( 0.000 -0.000 0.000) 0.000 13.372 ( 0.000 -0.000 0.000) 0.000 13.576 ( 0.000 -0.000 -0.000) 0.000 13.906 ( 0.000 -0.000 0.000) 0.000 13.984 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 17.402 0.000 7.233) 18.846 0.707 ( 24.124 0.000 -1.189) 24.153 1.225 ( 29.787 0.000 -2.802) 29.919 1.253 ( 9.566 0.000 1.826) 9.738 1.420 ( 0.200 0.000 3.138) 3.144 1.488 ( -1.911 -0.000 -0.174) 1.919 1.663 ( 5.393 0.000 1.515) 5.602 1.871 ( 7.140 0.000 -0.012) 7.140 2.029 ( 1.189 0.000 -3.323) 3.530 2.060 ( 6.946 0.000 -2.509) 7.385 2.162 ( -0.279 -0.000 4.530) 4.539 2.504 ( 2.492 0.000 -5.828) 6.338 2.660 ( 5.730 0.000 2.936) 6.438 3.008 ( 4.128 0.000 -1.127) 4.279 3.088 ( -5.955 -0.000 5.603) 8.177 3.329 ( 3.238 0.000 -2.544) 4.118 3.362 ( 5.467 0.000 -0.754) 5.519 3.456 ( 0.403 0.000 7.838) 7.848 3.632 ( 0.303 0.000 -5.864) 5.872 5.023 ( -0.952 -0.000 -0.033) 0.952 5.452 ( 2.050 0.000 8.866) 9.100 6.087 ( 0.417 0.000 -5.342) 5.358 6.904 ( -9.476 -0.000 3.368) 10.056 8.226 ( -7.422 -0.000 -3.283) 8.116 8.598 ( -1.663 -0.000 -0.976) 1.928 9.338 ( -5.985 -0.000 -7.615) 9.686 9.686 ( 1.011 0.000 -0.146) 1.021 9.839 ( 1.252 0.000 10.246) 10.323 10.089 ( 7.193 0.000 -3.165) 7.858 10.495 ( 3.482 0.000 -1.615) 3.838 13.085 ( 0.070 0.000 0.244) 0.254 13.165 ( -0.367 -0.000 0.701) 0.792 13.349 ( -0.208 -0.000 0.930) 0.953 13.495 ( 2.112 0.000 0.062) 2.113 13.910 ( -0.024 -0.000 -0.667) 0.668 14.000 ( -0.527 -0.000 0.413) 0.670 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 12.344 -1.706 5.128) 13.475 1.008 ( 21.983 7.620 0.582) 23.273 1.387 ( 4.580 -2.127 1.097) 5.167 1.415 ( -0.675 0.567 1.851) 2.050 1.478 ( 1.547 -1.696 -0.345) 2.321 1.537 ( 5.705 -3.969 -3.080) 7.602 1.806 ( 10.388 1.766 3.192) 11.010 1.861 ( 1.181 3.195 -2.895) 4.470 1.955 ( 4.034 7.860 -2.067) 9.073 2.163 ( -0.076 0.348 3.645) 3.663 2.459 ( 4.959 -3.652 2.565) 6.671 2.590 ( 16.268 -9.867 -7.138) 20.321 2.821 ( 12.455 -6.943 -1.501) 14.338 2.982 ( -5.545 2.468 5.438) 8.150 3.096 ( 3.528 -2.665 -0.032) 4.422 3.363 ( 2.879 3.353 1.685) 4.729 3.418 ( 6.477 1.008 -2.680) 7.081 3.534 ( 1.442 -4.435 2.955) 5.521 3.652 ( 0.403 -4.032 -1.942) 4.494 5.035 ( -0.011 -2.619 0.302) 2.637 5.481 ( 1.580 3.301 5.857) 6.907 6.053 ( -0.461 2.324 -6.789) 7.190 6.734 ( -11.998 1.319 4.680) 12.946 8.083 ( -7.487 1.525 -3.336) 8.338 8.523 ( -5.433 1.946 0.095) 5.771 9.259 ( -4.085 -2.897 -8.402) 9.781 9.658 ( 2.367 6.729 2.984) 7.732 9.918 ( -0.439 -5.784 7.911) 9.810 10.196 ( 7.362 0.906 -2.870) 7.953 10.552 ( 3.168 -1.098 -1.559) 3.698 13.090 ( 0.407 -0.074 0.340) 0.535 13.158 ( -0.275 0.360 0.105) 0.466 13.353 ( -0.035 -0.403 1.022) 1.099 13.537 ( 2.378 -0.551 0.274) 2.456 13.908 ( 0.057 0.052 -0.816) 0.820 13.992 ( -0.596 0.093 0.553) 0.818 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.785 2.313 2.795) 5.243 1.192 ( 20.019 13.033 0.739) 23.899 1.385 ( 0.195 1.826 -0.741) 1.980 1.463 ( -2.167 -4.676 0.820) 5.219 1.535 ( 0.422 -2.864 1.652) 3.333 1.622 ( 0.859 -2.993 -2.386) 3.923 1.783 ( -2.736 1.601 0.519) 3.212 1.901 ( 6.258 4.439 -4.786) 9.043 2.007 ( 12.947 6.984 1.890) 14.832 2.154 ( -0.801 0.041 2.584) 2.705 2.501 ( 1.721 -0.281 -2.378) 2.949 2.793 ( 8.296 3.985 0.748) 9.234 2.879 ( -3.532 2.530 4.504) 6.258 3.118 ( 3.760 -2.684 -0.897) 4.706 3.305 ( 6.410 -7.288 -1.224) 9.783 3.364 ( 5.072 -0.614 0.780) 5.168 3.480 ( 4.614 1.519 -2.142) 5.309 3.614 ( 0.999 -3.554 -0.161) 3.695 3.809 ( 8.414 -10.540 0.500) 13.496 5.076 ( -0.336 -1.668 1.707) 2.410 5.429 ( -1.443 5.459 2.793) 6.300 5.980 ( -1.044 3.187 -5.619) 6.544 6.563 ( -9.206 -0.332 4.110) 10.087 7.958 ( -5.524 -0.037 -2.760) 6.175 8.407 ( -6.574 0.474 1.075) 6.679 9.235 ( -2.828 -4.784 -8.443) 10.108 9.614 ( 3.286 7.412 4.979) 9.515 10.006 ( -1.269 -5.540 4.933) 7.526 10.262 ( 5.634 3.125 -2.424) 6.883 10.603 ( 1.600 -0.993 -0.891) 2.083 13.100 ( 0.725 0.070 0.351) 0.809 13.148 ( -0.266 0.417 -0.126) 0.511 13.363 ( 0.121 -0.531 0.685) 0.875 13.576 ( 1.849 0.026 0.460) 1.905 13.907 ( 0.264 0.079 -0.664) 0.719 13.984 ( -0.444 0.014 0.514) 0.679 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.492 3.218 0.783) 3.632 1.270 ( 17.216 18.274 0.638) 25.115 1.348 ( -1.109 2.450 -2.552) 3.707 1.433 ( -8.658 -3.977 -0.226) 9.531 1.575 ( -1.289 -0.865 1.090) 1.897 1.625 ( -1.721 -0.333 0.806) 1.930 1.749 ( -0.091 -0.075 -1.010) 1.016 1.940 ( 5.799 2.452 -3.724) 7.315 2.065 ( 8.518 8.353 1.847) 12.072 2.177 ( 3.232 1.229 0.170) 3.462 2.508 ( 0.812 0.841 -3.940) 4.109 2.736 ( -3.729 5.123 2.619) 6.857 2.922 ( 7.450 1.421 1.169) 7.674 3.162 ( 0.469 -0.256 0.193) 0.568 3.276 ( -3.476 2.297 2.529) 4.874 3.450 ( 0.765 0.914 -1.943) 2.279 3.536 ( 2.673 2.935 1.918) 4.409 3.667 ( 1.743 -1.169 -1.021) 2.334 4.022 ( -0.499 -0.451 1.205) 1.380 5.072 ( 1.222 -0.077 0.356) 1.275 5.362 ( -1.069 1.426 0.190) 1.792 5.918 ( -0.900 1.351 -1.697) 2.348 6.522 ( -1.528 -5.360 0.793) 5.630 7.911 ( -2.542 -3.397 -1.147) 4.395 8.335 ( -5.146 -3.223 1.692) 6.303 9.249 ( -2.186 -6.071 -7.641) 10.001 9.587 ( 4.310 7.093 5.428) 9.917 10.049 ( -2.922 -3.428 2.734) 5.270 10.272 ( 3.905 4.946 -2.325) 6.717 10.617 ( -0.495 0.221 0.209) 0.581 13.109 ( 0.710 0.530 0.302) 0.935 13.140 ( -0.209 0.122 -0.196) 0.311 13.371 ( 0.063 -0.185 0.061) 0.204 13.594 ( 1.143 0.975 0.496) 1.582 13.909 ( 0.338 0.191 -0.244) 0.459 13.982 ( -0.160 -0.187 0.314) 0.399 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.070 5.325 -0.835) 5.390 1.183 ( 3.421 17.132 -2.292) 17.620 1.289 ( -4.009 -1.340 -1.600) 4.520 1.335 ( -2.149 5.290 -0.589) 5.740 1.529 ( -2.136 1.916 4.436) 5.284 1.617 ( 2.267 3.400 -1.628) 4.399 1.742 ( 0.123 1.186 -1.332) 1.787 1.981 ( 3.827 1.454 -2.334) 4.712 2.066 ( 6.030 9.777 0.294) 11.491 2.196 ( 2.373 1.365 -1.042) 2.929 2.492 ( 0.876 0.944 -4.206) 4.399 2.604 ( -3.920 5.997 1.426) 7.305 3.014 ( 5.233 0.944 -1.235) 5.459 3.146 ( -0.372 2.594 0.875) 2.763 3.193 ( -5.094 0.945 2.520) 5.762 3.390 ( -9.140 16.063 5.168) 19.190 3.424 ( -0.617 2.602 1.808) 3.228 3.647 ( -3.326 3.638 -3.259) 5.909 3.858 ( -4.072 5.799 2.584) 7.542 5.147 ( 4.118 -1.359 -3.131) 5.349 5.320 ( -2.465 1.049 -0.330) 2.699 5.922 ( 0.094 -2.783 1.697) 3.261 6.657 ( 4.921 -9.387 -1.748) 10.742 7.966 ( 0.323 -6.964 0.613) 6.998 8.348 ( -2.849 -6.593 1.521) 7.342 9.290 ( -1.766 -7.107 -5.715) 9.289 9.587 ( 5.841 6.352 4.979) 9.963 10.013 ( -5.605 -0.111 0.387) 5.620 10.246 ( 3.240 5.589 -1.686) 6.677 10.582 ( -2.306 1.718 1.050) 3.062 13.108 ( 0.454 0.891 0.256) 1.032 13.138 ( -0.200 -0.248 -0.304) 0.441 13.370 ( 0.026 0.262 -0.417) 0.493 13.587 ( 0.499 2.052 0.390) 2.148 13.910 ( 0.181 0.236 0.139) 0.328 13.986 ( 0.088 -0.392 0.081) 0.410 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -5.653 13.327 -1.286) 14.533 0.948 ( -1.471 16.366 -3.840) 16.874 1.189 ( -2.520 6.741 -0.440) 7.210 1.297 ( 0.827 -0.505 -0.387) 1.044 1.468 ( 1.238 11.683 4.348) 12.527 1.581 ( 0.814 3.975 -2.784) 4.921 1.713 ( -0.026 2.598 -1.110) 2.825 1.933 ( -1.050 13.068 -0.690) 13.128 2.008 ( 1.245 1.584 -0.840) 2.183 2.221 ( 1.812 -0.434 -1.252) 2.245 2.454 ( -3.786 6.265 1.980) 7.583 2.509 ( 3.814 1.387 -5.754) 7.041 2.830 ( -15.873 20.754 7.045) 27.062 3.026 ( -0.792 3.147 -0.400) 3.270 3.122 ( -3.506 3.317 0.113) 4.828 3.161 ( 1.443 0.237 0.736) 1.637 3.387 ( 0.770 3.335 1.830) 3.882 3.530 ( -3.436 2.497 -2.888) 5.136 3.820 ( 1.656 2.198 2.160) 3.498 5.163 ( 1.354 3.369 -1.366) 3.880 5.268 ( -3.010 -0.465 -2.306) 3.820 5.985 ( 0.227 -4.162 1.970) 4.610 6.876 ( 5.405 -9.490 -1.360) 11.005 8.104 ( 1.911 -9.310 1.114) 9.569 8.420 ( -1.350 -7.315 0.672) 7.469 9.358 ( -1.365 -7.862 -2.484) 8.357 9.627 ( 7.861 4.925 3.851) 10.044 9.889 ( -7.275 2.687 -1.855) 7.974 10.203 ( 1.634 6.159 -0.526) 6.394 10.515 ( -2.369 2.452 0.947) 3.538 13.103 ( 0.293 0.868 0.164) 0.931 13.138 ( -0.316 -0.554 -0.395) 0.750 13.365 ( 0.099 0.434 -0.413) 0.607 13.556 ( -0.040 3.032 0.206) 3.039 13.910 ( 0.034 0.070 0.219) 0.232 13.994 ( 0.156 -0.482 -0.044) 0.509 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.000 18.368 -0.000) 18.368 0.682 ( -0.000 20.081 -0.000) 20.081 1.095 ( -0.000 5.484 -0.000) 5.484 1.097 ( -0.000 35.661 -0.000) 35.661 1.337 ( 0.000 -2.867 0.000) 2.867 1.547 ( -0.000 1.532 -0.000) 1.532 1.664 ( -0.000 3.743 -0.000) 3.743 1.735 ( -0.000 9.945 -0.000) 9.945 2.007 ( 0.000 -0.157 0.000) 0.157 2.246 ( -0.000 0.606 -0.000) 0.606 2.337 ( -0.000 5.058 -0.000) 5.058 2.419 ( -0.000 13.483 -0.000) 13.483 2.591 ( 0.000 -2.221 0.000) 2.221 2.977 ( -0.000 2.330 -0.000) 2.330 3.034 ( -0.000 3.994 -0.000) 3.994 3.169 ( -0.000 0.770 -0.000) 0.770 3.362 ( -0.000 2.357 -0.000) 2.357 3.468 ( -0.000 1.537 -0.000) 1.537 3.820 ( -0.000 1.156 -0.000) 1.156 5.126 ( -0.000 2.869 -0.000) 2.869 5.234 ( -0.000 0.175 -0.000) 0.175 6.041 ( 0.000 -3.290 0.000) 3.290 7.039 ( 0.000 -7.022 0.000) 7.022 8.256 ( 0.000 -8.672 0.000) 8.672 8.498 ( 0.000 -5.376 0.000) 5.376 9.450 ( 0.000 -7.704 0.000) 7.704 9.699 ( -0.000 3.099 -0.000) 3.099 9.733 ( -0.000 3.144 -0.000) 3.144 10.120 ( -0.000 6.887 -0.000) 6.887 10.465 ( -0.000 2.030 -0.000) 2.030 13.094 ( -0.000 0.667 -0.000) 0.667 13.144 ( 0.000 -0.847 0.000) 0.847 13.360 ( -0.000 0.380 -0.000) 0.380 13.511 ( -0.000 3.104 -0.000) 3.104 13.911 ( 0.000 -0.090 0.000) 0.090 14.002 ( 0.000 -0.404 0.000) 0.404 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 7.449 0.000 4.506) 8.706 1.295 ( 4.615 0.000 0.159) 4.617 1.437 ( 4.366 0.000 4.227) 6.077 1.442 ( 0.650 0.000 2.389) 2.476 1.488 ( 8.187 0.000 -1.683) 8.358 1.566 ( 2.343 0.000 -3.539) 4.244 1.804 ( -5.309 -0.000 -1.788) 5.602 2.027 ( 13.035 0.000 0.840) 13.062 2.075 ( 0.495 0.000 0.297) 0.577 2.254 ( 2.679 0.000 5.048) 5.715 2.563 ( 8.199 0.000 -10.506) 13.326 2.832 ( 29.104 0.000 -3.688) 29.337 2.934 ( -3.740 -0.000 8.018) 8.847 2.935 ( 8.281 0.000 0.856) 8.325 3.140 ( 4.156 0.000 -0.733) 4.220 3.420 ( -0.280 -0.000 -0.158) 0.322 3.512 ( 4.149 0.000 -0.200) 4.154 3.525 ( 3.187 0.000 -0.580) 3.239 3.658 ( 5.202 0.000 2.517) 5.779 5.032 ( 1.764 0.000 0.712) 1.902 5.532 ( -0.413 -0.000 4.754) 4.772 6.029 ( -1.835 -0.000 -8.612) 8.805 6.557 ( -13.245 -0.000 6.283) 14.660 7.957 ( -8.019 -0.000 -3.334) 8.685 8.416 ( -9.315 -0.000 0.802) 9.350 9.165 ( -2.337 -0.000 -8.865) 9.168 9.770 ( 3.992 0.000 -0.486) 4.022 9.877 ( -1.402 -0.000 10.487) 10.580 10.310 ( 6.689 0.000 -2.452) 7.124 10.583 ( 2.237 0.000 -1.191) 2.535 13.101 ( 0.938 0.000 0.468) 1.049 13.156 ( -0.279 -0.000 -0.181) 0.333 13.354 ( 0.156 0.000 1.009) 1.021 13.577 ( 2.621 0.000 0.646) 2.699 13.909 ( 0.373 0.000 -0.932) 1.003 13.985 ( -0.631 -0.000 0.726) 0.962 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.590 2.325 1.852) 3.031 1.317 ( -2.967 -3.102 0.809) 4.368 1.403 ( -0.164 4.081 0.819) 4.165 1.518 ( 1.425 -3.373 2.117) 4.230 1.565 ( -0.835 0.968 -2.327) 2.655 1.680 ( 13.412 2.921 1.907) 13.858 1.733 ( -1.951 -0.587 -1.987) 2.846 2.040 ( -0.044 3.131 -0.108) 3.133 2.207 ( 8.396 1.490 1.258) 8.620 2.281 ( 4.644 3.155 3.772) 6.764 2.621 ( 11.760 8.761 -11.015) 18.341 2.858 ( -3.544 2.620 6.380) 7.754 2.998 ( 6.667 3.981 1.804) 7.972 3.173 ( 4.376 1.436 -1.080) 4.731 3.299 ( 3.280 -3.877 -1.013) 5.178 3.414 ( 4.037 -2.804 -3.023) 5.770 3.574 ( 4.627 0.209 0.055) 4.632 3.603 ( 5.286 -1.921 0.338) 5.634 3.853 ( 12.964 -6.108 2.709) 14.584 5.077 ( 1.918 -0.542 2.177) 2.952 5.474 ( -3.668 5.053 2.734) 6.816 5.961 ( -2.569 0.543 -8.024) 8.443 6.398 ( -10.378 -2.693 5.929) 12.252 7.841 ( -6.361 -1.427 -2.901) 7.135 8.272 ( -9.634 -1.209 1.544) 9.832 9.128 ( -1.625 -2.376 -8.004) 8.506 9.771 ( 3.289 5.950 2.903) 7.393 9.936 ( -0.491 -4.566 5.129) 6.884 10.377 ( 4.676 2.261 -1.944) 5.546 10.610 ( 0.856 -0.445 -0.544) 1.107 13.119 ( 1.206 0.165 0.413) 1.285 13.149 ( -0.223 0.344 -0.221) 0.466 13.362 ( 0.267 -0.301 0.696) 0.804 13.613 ( 1.918 0.352 0.788) 2.103 13.915 ( 0.783 0.140 -0.753) 1.095 13.978 ( -0.479 -0.073 0.681) 0.836 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.165 1.796 0.526) 1.879 1.279 ( -5.918 -0.824 0.132) 5.976 1.332 ( -2.019 3.847 -0.790) 4.415 1.487 ( -4.940 1.768 -0.368) 5.260 1.577 ( 1.258 -1.259 1.336) 2.225 1.745 ( 1.423 -0.444 -1.428) 2.064 1.825 ( 12.427 6.367 3.216) 14.329 2.003 ( 0.000 1.126 -1.144) 1.605 2.258 ( 4.732 4.612 1.471) 6.769 2.328 ( 4.637 3.867 -0.011) 6.038 2.626 ( 10.516 11.040 -10.299) 18.400 2.779 ( -1.182 5.678 4.267) 7.200 3.046 ( 3.970 1.614 1.786) 4.642 3.196 ( 2.035 1.754 0.193) 2.694 3.248 ( -4.395 2.118 1.348) 5.062 3.475 ( 1.336 0.301 -1.562) 2.078 3.606 ( 0.904 1.824 -0.605) 2.124 3.719 ( 5.623 1.309 1.190) 5.895 4.058 ( 2.601 4.737 2.343) 5.890 5.107 ( 3.085 0.087 0.748) 3.175 5.367 ( -2.302 2.400 0.965) 3.463 5.899 ( -2.363 0.179 -3.634) 4.338 6.381 ( -3.596 -9.321 2.104) 10.210 7.798 ( -3.533 -4.679 -1.688) 6.101 8.185 ( -6.910 -4.648 1.903) 8.543 9.130 ( -1.350 -4.192 -6.098) 7.522 9.755 ( 3.985 5.617 3.595) 7.769 9.978 ( -2.061 -2.254 1.922) 3.609 10.387 ( 3.239 4.068 -1.599) 5.440 10.612 ( -0.688 0.427 0.283) 0.857 13.133 ( 1.005 0.542 0.237) 1.166 13.139 ( -0.182 0.503 -0.107) 0.545 13.371 ( 0.175 -0.180 0.194) 0.317 13.630 ( 1.144 0.956 0.645) 1.624 13.921 ( 0.745 0.490 -0.355) 0.960 13.976 ( -0.231 -0.268 0.441) 0.566 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.075 3.311 0.132) 3.314 1.170 ( -5.050 1.773 -0.546) 5.381 1.227 ( -3.307 4.461 -1.376) 5.721 1.387 ( -3.182 3.076 0.462) 4.450 1.602 ( 0.988 0.586 0.803) 1.401 1.749 ( 0.083 0.924 -0.482) 1.046 1.906 ( 10.855 9.743 2.980) 14.888 2.011 ( 1.093 -1.141 -1.996) 2.546 2.235 ( 0.033 5.643 -0.267) 5.649 2.301 ( 2.460 6.778 -0.699) 7.245 2.594 ( 5.989 8.032 -6.548) 11.969 2.685 ( 2.003 10.127 0.864) 10.359 3.082 ( 2.229 0.913 -0.645) 2.493 3.153 ( -3.766 2.560 2.701) 5.295 3.193 ( 0.535 2.117 0.312) 2.206 3.474 ( 1.100 3.471 3.278) 4.899 3.526 ( -2.194 13.033 1.749) 13.332 3.635 ( -7.090 10.281 -1.771) 12.614 3.901 ( -1.092 5.786 1.560) 6.091 5.195 ( 5.313 -0.813 -3.371) 6.344 5.309 ( -2.815 2.243 2.155) 4.195 5.883 ( -0.784 -2.638 -0.036) 2.752 6.538 ( 1.316 -14.038 -0.528) 14.109 7.850 ( -0.993 -8.157 -0.288) 8.223 8.200 ( -3.022 -7.802 1.279) 8.464 9.167 ( -0.903 -5.660 -3.310) 6.618 9.765 ( 5.348 4.732 3.050) 7.765 9.937 ( -4.704 0.841 -0.308) 4.789 10.364 ( 2.378 5.036 -1.047) 5.667 10.578 ( -1.567 1.861 0.666) 2.522 13.130 ( 0.118 0.709 0.283) 0.773 13.135 ( 0.219 0.611 -0.246) 0.694 13.373 ( 0.066 0.115 -0.117) 0.177 13.626 ( 0.535 1.774 0.336) 1.883 13.920 ( 0.299 0.701 -0.040) 0.763 13.981 ( -0.032 -0.469 0.160) 0.497 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 11.023 -0.000) 11.023 1.077 ( -0.000 9.257 -0.000) 9.257 1.169 ( 0.000 -1.027 0.000) 1.027 1.320 ( -0.000 2.553 -0.000) 2.553 1.596 ( -0.000 1.597 -0.000) 1.597 1.730 ( -0.000 2.075 -0.000) 2.075 1.851 ( -0.000 16.015 -0.000) 16.015 2.029 ( -0.000 0.171 -0.000) 0.171 2.093 ( -0.000 12.221 -0.000) 12.221 2.247 ( -0.000 3.097 -0.000) 3.097 2.543 ( -0.000 7.275 -0.000) 7.275 2.576 ( -0.000 5.695 -0.000) 5.695 3.007 ( -0.000 20.553 -0.000) 20.553 3.066 ( -0.000 3.854 -0.000) 3.854 3.148 ( -0.000 3.671 -0.000) 3.671 3.204 ( -0.000 7.556 -0.000) 7.556 3.467 ( -0.000 4.893 -0.000) 4.893 3.510 ( -0.000 1.102 -0.000) 1.102 3.864 ( -0.000 2.073 -0.000) 2.073 5.228 ( -0.000 3.918 -0.000) 3.918 5.243 ( -0.000 0.452 -0.000) 0.452 5.931 ( 0.000 -4.203 0.000) 4.203 6.752 ( 0.000 -13.566 0.000) 13.566 7.976 ( 0.000 -10.363 0.000) 10.363 8.297 ( 0.000 -8.561 0.000) 8.561 9.241 ( 0.000 -6.861 0.000) 6.861 9.798 ( -0.000 3.769 -0.000) 3.769 9.825 ( -0.000 3.122 -0.000) 3.122 10.306 ( -0.000 6.097 -0.000) 6.097 10.532 ( -0.000 2.545 -0.000) 2.545 13.121 ( -0.000 1.182 -0.000) 1.182 13.129 ( 0.000 -0.112 0.000) 0.112 13.370 ( -0.000 0.306 -0.000) 0.306 13.598 ( -0.000 2.752 -0.000) 2.752 13.914 ( -0.000 0.447 -0.000) 0.447 13.988 ( 0.000 -0.559 0.000) 0.559 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -3.068 -0.000 0.104) 3.070 1.258 ( -2.377 -0.000 1.033) 2.591 1.455 ( -3.320 -0.000 0.876) 3.433 1.488 ( 1.885 0.000 0.712) 2.015 1.517 ( -3.096 -0.000 -0.631) 3.160 1.734 ( 2.825 0.000 -1.659) 3.276 1.882 ( 8.496 0.000 1.017) 8.556 2.031 ( -1.589 -0.000 2.060) 2.602 2.312 ( -0.468 -0.000 2.437) 2.481 2.374 ( 8.362 0.000 0.746) 8.395 2.847 ( -2.352 -0.000 5.767) 6.228 2.871 ( 12.519 0.000 -9.904) 15.963 3.110 ( 2.904 0.000 1.488) 3.263 3.243 ( 1.968 0.000 -0.076) 1.969 3.279 ( -2.960 -0.000 -0.333) 2.979 3.427 ( 3.352 0.000 -5.417) 6.370 3.618 ( 2.625 0.000 -0.256) 2.637 3.735 ( 8.889 0.000 1.636) 9.039 4.087 ( 20.176 0.000 2.037) 20.279 5.122 ( 2.380 0.000 3.352) 4.111 5.440 ( -6.980 -0.000 2.709) 7.488 5.883 ( -3.109 -0.000 -9.771) 10.254 6.238 ( -8.897 -0.000 6.765) 11.177 7.730 ( -4.894 -0.000 -2.497) 5.494 8.116 ( -8.790 -0.000 1.518) 8.920 9.071 ( -1.125 -0.000 -6.030) 6.134 9.881 ( 2.923 0.000 -1.262) 3.183 9.899 ( -0.392 -0.000 6.712) 6.724 10.448 ( 2.939 0.000 -1.290) 3.209 10.614 ( 0.246 0.000 -0.210) 0.324 13.138 ( 0.692 0.000 -0.050) 0.693 13.152 ( 0.396 0.000 0.178) 0.434 13.367 ( 0.311 0.000 0.531) 0.615 13.642 ( 1.153 0.000 0.740) 1.370 13.930 ( 1.124 0.000 -0.567) 1.259 13.973 ( -0.365 -0.000 0.596) 0.698 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -2.247 -0.570 -0.315) 2.340 1.224 ( -1.965 0.959 0.528) 2.250 1.355 ( -3.283 3.557 -0.312) 4.850 1.460 ( -1.065 2.556 0.108) 2.771 1.560 ( 0.891 -3.260 0.435) 3.407 1.770 ( 1.786 0.637 -0.739) 2.035 1.943 ( -0.227 -1.556 -0.122) 1.577 2.058 ( 4.625 1.601 3.005) 5.743 2.298 ( -1.294 0.474 -0.262) 1.403 2.455 ( 4.358 3.201 0.331) 5.418 2.803 ( -0.733 4.358 2.066) 4.878 2.980 ( 10.269 6.122 -6.708) 13.709 3.111 ( 0.074 3.299 2.549) 4.170 3.219 ( -2.435 1.419 -0.085) 2.819 3.240 ( 0.258 1.769 0.028) 1.788 3.472 ( 0.836 -2.545 -1.828) 3.243 3.637 ( 0.731 1.579 -0.234) 1.756 3.836 ( 4.505 1.605 0.925) 4.871 4.289 ( 9.121 13.430 1.363) 16.291 5.164 ( 3.726 -0.804 1.011) 3.943 5.331 ( -5.803 -0.564 2.109) 6.200 5.834 ( -2.036 -1.418 -5.220) 5.780 6.199 ( -3.959 -7.759 3.192) 9.277 7.689 ( -2.285 -3.116 -1.327) 4.085 8.034 ( -4.830 -3.455 1.107) 6.041 9.057 ( -0.698 -2.087 -3.239) 3.916 9.876 ( 2.380 3.123 1.964) 4.390 9.934 ( -1.038 -1.100 0.743) 1.685 10.465 ( 1.572 1.989 -0.745) 2.642 10.611 ( -0.307 0.546 0.124) 0.639 13.139 ( -0.034 0.205 -0.201) 0.289 13.159 ( 0.678 0.591 0.273) 0.940 13.373 ( 0.167 -0.074 0.202) 0.272 13.654 ( 0.505 0.397 0.415) 0.765 13.940 ( 0.722 0.511 -0.241) 0.917 13.971 ( -0.166 -0.191 0.311) 0.401 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -1.811 0.000) 1.811 1.173 ( -0.000 3.708 -0.000) 3.708 1.274 ( -0.000 4.670 -0.000) 4.670 1.409 ( -0.000 3.302 -0.000) 3.302 1.602 ( 0.000 -1.636 0.000) 1.636 1.764 ( -0.000 1.265 -0.000) 1.265 1.974 ( 0.000 -2.884 0.000) 2.884 2.082 ( -0.000 2.921 -0.000) 2.921 2.264 ( -0.000 1.951 -0.000) 1.951 2.421 ( -0.000 6.424 -0.000) 6.424 2.720 ( -0.000 6.981 -0.000) 6.981 2.926 ( -0.000 13.581 -0.000) 13.581 3.093 ( 0.000 -1.046 0.000) 1.046 3.168 ( -0.000 3.115 -0.000) 3.115 3.219 ( -0.000 1.518 -0.000) 1.518 3.508 ( 0.000 -1.580 0.000) 1.580 3.598 ( -0.000 4.024 -0.000) 4.024 3.807 ( -0.000 10.780 -0.000) 10.780 4.045 ( -0.000 20.323 -0.000) 20.323 5.252 ( -0.000 0.096 -0.000) 0.096 5.284 ( 0.000 -1.354 0.000) 1.354 5.835 ( 0.000 -2.439 0.000) 2.439 6.338 ( 0.000 -14.413 0.000) 14.413 7.736 ( 0.000 -6.342 0.000) 6.342 8.071 ( 0.000 -6.762 0.000) 6.762 9.089 ( 0.000 -3.947 0.000) 3.947 9.888 ( -0.000 2.443 -0.000) 2.443 9.893 ( -0.000 1.691 -0.000) 1.691 10.440 ( -0.000 3.401 -0.000) 3.401 10.592 ( -0.000 1.603 -0.000) 1.603 13.134 ( -0.000 0.335 -0.000) 0.335 13.153 ( -0.000 1.045 -0.000) 1.045 13.374 ( -0.000 0.012 -0.000) 0.012 13.649 ( -0.000 0.952 -0.000) 0.952 13.935 ( -0.000 0.907 -0.000) 0.907 13.974 ( 0.000 -0.387 0.000) 0.387 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 -0.000 0.000) 0.000 1.221 ( 0.000 -0.000 0.000) 0.000 1.344 ( 0.000 -0.000 0.000) 0.000 1.485 ( 0.000 -0.000 0.000) 0.000 1.538 ( 0.000 -0.000 0.000) 0.000 1.793 ( 0.000 -0.000 0.000) 0.000 1.917 ( 0.000 -0.000 0.000) 0.000 2.114 ( 0.000 -0.000 0.000) 0.000 2.287 ( 0.000 -0.000 0.000) 0.000 2.514 ( 0.000 -0.000 0.000) 0.000 2.830 ( 0.000 -0.000 0.000) 0.000 3.076 ( 0.000 -0.000 0.000) 0.000 3.151 ( 0.000 -0.000 0.000) 0.000 3.206 ( 0.000 -0.000 0.000) 0.000 3.262 ( 0.000 -0.000 0.000) 0.000 3.449 ( 0.000 -0.000 0.000) 0.000 3.657 ( 0.000 -0.000 0.000) 0.000 3.884 ( 0.000 -0.000 0.000) 0.000 4.531 ( 0.000 -0.000 0.000) 0.000 5.172 ( 0.000 -0.000 0.000) 0.000 5.252 ( 0.000 -0.000 0.000) 0.000 5.802 ( 0.000 -0.000 0.000) 0.000 6.111 ( 0.000 -0.000 0.000) 0.000 7.646 ( 0.000 -0.000 0.000) 0.000 7.970 ( 0.000 -0.000 0.000) 0.000 9.033 ( 0.000 -0.000 0.000) 0.000 9.916 ( 0.000 -0.000 0.000) 0.000 9.923 ( 0.000 -0.000 0.000) 0.000 10.488 ( 0.000 -0.000 0.000) 0.000 10.614 ( 0.000 -0.000 0.000) 0.000 13.140 ( 0.000 -0.000 0.000) 0.000 13.170 ( 0.000 -0.000 0.000) 0.000 13.374 ( 0.000 -0.000 0.000) 0.000 13.660 ( 0.000 -0.000 0.000) 0.000 13.950 ( 0.000 -0.000 0.000) 0.000 13.969 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.221 0.000 19.210) 19.212 0.429 ( -8.634 -0.000 21.553) 23.218 0.744 ( -5.251 -0.000 35.318) 35.707 1.013 ( 2.463 0.000 1.322) 2.796 1.524 ( -0.287 -0.000 -0.425) 0.513 1.556 ( 2.990 0.000 -2.084) 3.645 1.624 ( -3.314 -0.000 1.871) 3.806 1.727 ( -3.167 -0.000 0.183) 3.172 1.999 ( -1.156 -0.000 -0.709) 1.356 2.103 ( 0.987 0.000 4.572) 4.678 2.236 ( 6.677 0.000 -2.132) 7.010 2.336 ( -6.618 -0.000 -1.427) 6.770 2.646 ( 1.598 0.000 1.481) 2.178 2.938 ( -1.020 -0.000 -0.523) 1.146 2.970 ( 12.615 0.000 -5.858) 13.909 3.100 ( 3.264 0.000 -3.865) 5.059 3.253 ( -1.162 -0.000 0.149) 1.171 3.327 ( 2.091 0.000 -0.660) 2.193 3.722 ( -4.029 -0.000 7.415) 8.439 5.004 ( 0.951 0.000 -4.728) 4.823 5.384 ( 10.807 0.000 1.894) 10.971 6.003 ( -1.935 -0.000 -8.149) 8.375 7.127 ( 0.434 0.000 7.497) 7.510 8.304 ( -1.085 -0.000 -8.038) 8.110 8.726 ( -4.482 -0.000 3.305) 5.569 9.459 ( -5.848 -0.000 -8.851) 10.608 9.628 ( -1.375 -0.000 1.902) 2.347 9.715 ( 7.376 0.000 3.067) 7.988 10.033 ( -1.412 -0.000 3.777) 4.032 10.422 ( -0.222 -0.000 -1.261) 1.281 13.095 ( -0.095 -0.000 1.088) 1.092 13.219 ( 0.389 0.000 1.242) 1.302 13.334 ( 0.867 0.000 -1.617) 1.835 13.449 ( 0.251 0.000 -1.201) 1.227 13.910 ( -0.398 -0.000 -0.286) 0.490 13.996 ( 0.479 0.000 -1.214) 1.305 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 3.876 -10.214 14.537) 18.184 0.728 ( 14.670 -11.153 11.447) 21.694 0.968 ( 9.539 -8.231 16.747) 20.957 1.173 ( 10.171 -5.548 1.900) 11.741 1.477 ( -1.528 4.518 1.285) 4.940 1.554 ( -1.454 -0.925 2.641) 3.154 1.660 ( 2.760 -4.880 2.275) 6.050 1.720 ( 4.524 0.260 1.138) 4.672 2.034 ( -3.171 -0.960 2.822) 4.352 2.109 ( 2.601 -10.167 -1.949) 10.674 2.251 ( -3.465 -0.813 0.272) 3.570 2.363 ( 6.392 -3.020 -2.010) 7.350 2.642 ( 0.996 3.536 0.993) 3.805 2.949 ( 1.884 -1.306 -1.430) 2.702 3.071 ( 5.009 -0.342 -4.869) 6.993 3.171 ( 6.145 2.449 -2.602) 7.108 3.334 ( -0.423 -2.151 0.325) 2.216 3.462 ( 7.652 -7.840 -5.801) 12.396 3.678 ( -4.010 -0.289 7.769) 8.747 5.014 ( 0.251 -2.239 -4.982) 5.468 5.467 ( 4.963 4.519 2.884) 7.306 5.940 ( -1.310 1.401 -10.281) 10.459 7.112 ( -5.104 1.388 7.794) 9.419 8.200 ( -4.645 4.044 -8.442) 10.450 8.636 ( -2.416 4.259 5.315) 7.227 9.350 ( -7.050 -2.578 -7.993) 10.965 9.623 ( 1.424 3.633 2.047) 4.406 9.864 ( 8.663 -1.847 1.067) 8.922 10.067 ( -0.134 -4.206 3.772) 5.651 10.435 ( 1.587 -0.947 -1.697) 2.509 13.098 ( -0.157 -0.160 1.150) 1.171 13.198 ( -0.983 1.325 1.903) 2.519 13.344 ( 0.599 -0.293 -1.457) 1.602 13.469 ( 1.181 -1.515 -1.222) 2.277 13.903 ( -0.315 -0.006 -0.512) 0.601 13.997 ( 0.219 0.217 -0.949) 0.998 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 4.416 -8.681 11.083) 14.755 1.044 ( 4.409 -6.774 14.971) 17.014 1.256 ( 13.268 -2.693 -0.304) 13.542 1.368 ( 8.199 -2.421 -3.443) 9.216 1.416 ( 0.803 2.878 2.519) 3.908 1.572 ( -0.613 -2.090 1.730) 2.782 1.726 ( 1.061 -0.842 -0.015) 1.354 1.818 ( -1.178 -6.121 0.486) 6.252 1.998 ( -3.260 -0.877 5.115) 6.129 2.225 ( -1.252 0.334 -0.098) 1.299 2.376 ( 6.781 -5.719 -5.939) 10.676 2.562 ( 3.356 -6.764 4.993) 9.052 2.692 ( 14.480 -10.778 -4.423) 18.585 3.017 ( 3.349 -2.257 -0.829) 4.123 3.116 ( -0.954 -0.913 1.785) 2.220 3.229 ( 6.567 3.129 -2.004) 7.546 3.355 ( 1.125 -1.426 1.692) 2.482 3.627 ( 3.473 -5.974 -5.311) 8.715 3.666 ( -0.724 -1.771 7.437) 7.679 5.050 ( 0.499 -4.069 -4.997) 6.464 5.471 ( 2.373 5.042 4.003) 6.861 5.871 ( -0.424 1.903 -10.543) 10.722 6.979 ( -8.817 4.920 9.096) 13.590 8.035 ( -4.554 4.734 -8.484) 10.730 8.550 ( -1.516 5.681 3.506) 6.846 9.276 ( -6.072 -4.787 -7.626) 10.860 9.589 ( 1.752 5.414 3.678) 6.776 10.015 ( 7.313 -0.954 0.180) 7.377 10.136 ( -1.037 -4.892 3.731) 6.239 10.487 ( 3.177 -1.855 -2.419) 4.403 13.102 ( -0.109 -0.186 1.159) 1.179 13.176 ( -0.685 0.763 1.800) 2.072 13.352 ( 0.383 -0.363 -1.447) 1.541 13.511 ( 1.536 -1.621 -1.510) 2.696 13.898 ( -0.171 -0.184 -0.473) 0.536 13.991 ( 0.033 0.421 -0.685) 0.805 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.736 -4.269 10.869) 11.701 1.122 ( -2.243 0.691 8.432) 8.753 1.375 ( 1.181 0.488 1.523) 1.989 1.495 ( 9.476 -0.662 -2.839) 9.914 1.525 ( 7.077 -2.337 -0.985) 7.518 1.590 ( -0.306 -1.031 1.412) 1.775 1.738 ( -0.296 -0.820 -0.698) 1.117 1.849 ( -3.666 -4.759 -1.061) 6.100 1.984 ( -3.080 -1.231 5.980) 6.838 2.185 ( -1.481 1.846 -0.839) 2.511 2.449 ( 0.087 -2.935 -3.791) 4.795 2.653 ( 6.529 0.811 0.393) 6.591 3.022 ( -5.751 2.504 7.608) 9.860 3.098 ( 3.970 -5.830 -1.457) 7.203 3.178 ( 8.671 -3.330 -6.367) 11.261 3.306 ( 7.945 -4.315 -0.274) 9.046 3.431 ( 3.343 -2.966 1.988) 4.891 3.668 ( -0.897 -2.909 -0.800) 3.147 3.823 ( 7.651 -7.743 2.389) 11.145 5.084 ( -0.791 -0.960 -4.879) 5.035 5.412 ( -1.010 5.059 1.926) 5.506 5.832 ( 1.113 0.247 -7.566) 7.651 6.787 ( -8.585 5.693 9.500) 14.013 7.909 ( -1.803 2.007 -8.184) 8.617 8.467 ( -0.701 4.519 3.304) 5.642 9.248 ( -4.842 -6.503 -7.807) 11.256 9.556 ( 2.270 5.659 4.969) 7.866 10.101 ( 4.623 1.926 -1.492) 5.226 10.191 ( -1.937 -4.580 4.664) 6.818 10.557 ( 2.964 -1.766 -2.494) 4.258 13.106 ( -0.011 -0.075 1.058) 1.061 13.164 ( -0.576 0.324 1.723) 1.846 13.355 ( 0.194 -0.092 -1.757) 1.770 13.545 ( 1.257 -0.745 -1.746) 2.277 13.901 ( 0.008 -0.443 -0.164) 0.472 13.983 ( 0.021 0.495 -0.585) 0.767 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -3.208 -0.492 10.795) 11.273 1.084 ( -1.974 1.547 6.148) 6.640 1.368 ( -1.726 -0.247 0.758) 1.901 1.555 ( -1.996 0.812 -3.362) 3.993 1.577 ( 1.226 1.738 -2.146) 3.021 1.653 ( 1.182 -3.918 1.722) 4.440 1.745 ( 0.939 0.770 -0.747) 1.425 1.848 ( -1.333 -1.604 0.587) 2.167 1.963 ( -1.623 0.982 5.063) 5.407 2.138 ( -0.613 1.765 -1.940) 2.693 2.467 ( -1.404 -2.407 -3.205) 4.247 2.718 ( 2.761 1.827 -1.642) 3.695 2.917 ( -3.207 2.954 7.460) 8.640 3.163 ( 0.432 -0.485 -0.407) 0.767 3.212 ( 2.175 1.829 -5.048) 5.793 3.443 ( 0.149 -1.639 -0.552) 1.736 3.527 ( 3.101 -1.152 3.105) 4.537 3.683 ( -1.400 -0.669 1.401) 2.091 4.030 ( 2.487 -1.321 0.334) 2.836 5.004 ( -1.406 3.157 -6.120) 7.029 5.363 ( -0.790 1.058 0.154) 1.330 5.861 ( 2.118 -3.481 -4.680) 6.205 6.656 ( -2.876 2.499 8.240) 9.078 7.889 ( 1.841 -2.255 -6.923) 7.510 8.437 ( 0.807 1.119 3.860) 4.099 9.257 ( -3.639 -7.741 -8.176) 11.832 9.532 ( 2.792 5.558 5.703) 8.439 10.104 ( 2.568 4.854 -1.849) 5.794 10.217 ( -3.661 -3.460 3.853) 6.342 10.602 ( 1.189 -0.633 -1.722) 2.187 13.107 ( -0.034 0.285 0.855) 0.902 13.160 ( -0.463 -0.162 1.895) 1.957 13.349 ( 0.028 0.423 -2.221) 2.261 13.558 ( 0.690 0.365 -1.853) 2.011 13.908 ( 0.068 -0.493 0.246) 0.555 13.977 ( 0.204 0.392 -0.714) 0.840 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -7.813 2.096 10.173) 12.997 1.043 ( -2.692 4.025 6.603) 8.189 1.349 ( -2.410 -1.948 0.442) 3.130 1.449 ( -9.227 0.817 -1.881) 9.452 1.515 ( -1.917 2.969 -3.935) 5.289 1.679 ( -3.813 -1.513 3.169) 5.183 1.722 ( -0.756 1.849 -0.269) 2.016 1.858 ( 2.276 3.288 1.630) 4.318 1.949 ( 0.179 0.565 1.865) 1.957 2.114 ( 1.476 1.251 -3.045) 3.608 2.444 ( -2.093 0.526 -3.495) 4.107 2.668 ( -5.410 0.409 1.459) 5.618 2.912 ( 4.126 2.175 0.887) 4.747 3.127 ( -0.896 3.727 -0.889) 3.935 3.203 ( -2.395 -0.982 -3.547) 4.391 3.363 ( -6.332 8.080 0.967) 10.311 3.538 ( -2.966 4.437 2.929) 6.088 3.645 ( -2.970 0.635 4.831) 5.706 3.863 ( -7.149 10.826 1.436) 13.053 5.003 ( 3.339 -0.738 -8.583) 9.240 5.333 ( -1.690 0.267 -0.725) 1.858 5.950 ( 1.707 -5.722 -3.549) 6.947 6.697 ( 5.221 -2.472 6.452) 8.660 7.977 ( 4.455 -5.336 -5.330) 8.759 8.482 ( 1.693 -2.669 4.325) 5.357 9.303 ( -2.053 -8.810 -8.250) 12.243 9.525 ( 3.730 5.049 6.027) 8.702 10.032 ( -0.430 7.265 -1.818) 7.501 10.201 ( -4.068 -1.876 2.586) 5.172 10.596 ( -1.278 0.892 -0.859) 1.780 13.103 ( -0.013 0.550 0.824) 0.991 13.164 ( -0.516 -0.510 2.041) 2.166 13.335 ( 0.193 0.732 -2.496) 2.608 13.546 ( 0.025 1.372 -1.850) 2.304 13.916 ( -0.063 -0.340 0.493) 0.602 13.976 ( 0.481 0.166 -0.987) 1.110 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -12.033 4.270 11.577) 17.235 0.872 ( -9.446 10.079 8.684) 16.317 1.248 ( -12.216 2.338 0.958) 12.475 1.338 ( -3.954 -0.467 -1.427) 4.230 1.458 ( -0.720 0.232 -3.011) 3.105 1.603 ( -4.772 3.656 6.642) 8.959 1.689 ( -1.181 1.330 1.152) 2.119 1.816 ( -1.529 3.469 2.315) 4.442 1.966 ( 1.157 -0.941 -0.983) 1.786 2.123 ( 2.627 1.659 -3.431) 4.629 2.362 ( -2.833 5.274 -4.145) 7.281 2.583 ( -6.998 -1.902 2.710) 7.742 2.884 ( -12.981 17.000 3.038) 21.604 2.965 ( 3.137 3.859 -2.270) 5.467 3.080 ( -2.018 4.097 -3.054) 5.494 3.178 ( -5.699 -0.958 0.017) 5.779 3.400 ( -3.909 3.893 -0.486) 5.538 3.590 ( -4.345 3.869 7.597) 9.569 3.739 ( 1.674 2.841 -2.463) 4.116 5.016 ( 2.373 1.600 -7.236) 7.782 5.295 ( -2.805 -0.024 -0.786) 2.913 6.025 ( -0.145 -4.405 -4.223) 6.105 6.885 ( 8.955 -4.055 5.621) 11.324 8.126 ( 5.483 -6.356 -4.963) 9.752 8.572 ( 0.824 -5.011 4.910) 7.064 9.393 ( 0.300 -9.452 -7.794) 12.255 9.548 ( 4.962 3.784 5.922) 8.603 9.884 ( -3.938 7.897 -2.140) 9.080 10.161 ( -3.109 0.678 2.030) 3.775 10.537 ( -3.209 1.787 -0.582) 3.719 13.098 ( 0.038 0.541 0.897) 1.048 13.169 ( -0.564 -0.719 2.238) 2.417 13.325 ( 0.723 0.589 -2.369) 2.546 13.512 ( -0.568 2.045 -1.699) 2.718 13.918 ( -0.258 -0.194 0.420) 0.530 13.981 ( 0.681 -0.044 -1.239) 1.415 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -13.731 3.357 16.846) 21.991 0.577 ( -11.720 9.015 14.329) 20.590 1.018 ( -12.438 8.984 11.925) 19.432 1.127 ( -13.095 8.700 1.178) 15.765 1.465 ( -0.196 -3.531 4.814) 5.974 1.543 ( 1.208 2.171 2.114) 3.262 1.660 ( -0.316 1.907 4.617) 5.005 1.733 ( -7.067 -1.690 1.718) 7.467 2.005 ( 2.418 -1.503 0.550) 2.900 2.111 ( 0.471 4.859 -4.710) 6.784 2.195 ( 1.442 8.150 -0.677) 8.304 2.477 ( -9.483 1.550 -0.317) 9.614 2.618 ( -0.058 1.343 0.958) 1.650 2.963 ( -0.280 1.532 -3.676) 3.992 2.991 ( -2.924 2.671 -3.937) 5.584 3.121 ( -4.042 -2.308 -1.600) 4.922 3.323 ( -0.478 1.789 -1.199) 2.206 3.435 ( -3.724 11.147 -2.107) 11.940 3.740 ( -0.222 -0.041 2.034) 2.046 5.008 ( 1.972 1.523 -5.743) 6.260 5.264 ( 0.554 0.309 3.299) 3.360 6.040 ( -1.676 -2.011 -5.886) 6.441 7.063 ( 6.218 -0.748 5.523) 8.350 8.268 ( 3.867 -4.696 -6.328) 8.778 8.671 ( 0.087 -6.271 5.836) 8.567 9.507 ( 1.303 -6.207 -9.192) 11.168 9.611 ( 5.424 1.236 5.165) 7.592 9.705 ( -5.156 5.217 -1.327) 7.454 10.093 ( -3.033 3.081 2.428) 4.958 10.460 ( -3.026 1.279 -1.040) 3.446 13.095 ( 0.000 0.293 0.995) 1.037 13.185 ( 0.299 -1.117 2.874) 3.098 13.327 ( 1.021 0.305 -1.983) 2.251 13.470 ( -0.582 1.738 -1.440) 2.330 13.916 ( -0.387 -0.083 0.091) 0.407 13.989 ( 0.680 -0.110 -1.330) 1.498 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 19.934 0.000 6.402) 20.937 0.911 ( 12.264 0.000 15.210) 19.539 1.205 ( 17.665 0.000 1.676) 17.745 1.300 ( 9.106 0.000 2.882) 9.551 1.485 ( -1.387 -0.000 -0.095) 1.391 1.520 ( -2.023 -0.000 5.259) 5.635 1.688 ( 4.451 0.000 -0.352) 4.465 1.891 ( 8.503 0.000 1.764) 8.684 1.958 ( 0.605 0.000 -3.589) 3.639 2.073 ( 7.047 0.000 5.715) 9.073 2.221 ( -0.331 -0.000 0.808) 0.874 2.409 ( 2.632 0.000 -3.239) 4.173 2.718 ( 4.634 0.000 2.953) 5.495 2.985 ( 4.306 0.000 -1.324) 4.505 3.089 ( 1.390 0.000 -4.850) 5.045 3.293 ( 3.214 0.000 -1.069) 3.387 3.344 ( 5.856 0.000 -0.989) 5.939 3.510 ( 5.786 0.000 -5.423) 7.930 3.644 ( -3.297 -0.000 11.277) 11.749 4.981 ( -0.118 -0.000 -4.479) 4.481 5.560 ( 2.453 0.000 3.058) 3.921 5.900 ( -0.756 -0.000 -12.651) 12.673 7.041 ( -8.734 -0.000 9.953) 13.241 8.108 ( -6.850 -0.000 -8.801) 11.152 8.635 ( -3.358 -0.000 4.285) 5.444 9.193 ( -6.846 -0.000 -7.234) 9.960 9.691 ( 2.033 0.000 0.920) 2.232 9.995 ( 8.752 0.000 1.008) 8.810 10.052 ( 0.634 0.000 4.184) 4.232 10.459 ( 3.075 0.000 -2.038) 3.689 13.100 ( 0.039 0.000 1.320) 1.320 13.191 ( -1.304 -0.000 1.616) 2.076 13.345 ( 0.393 0.000 -1.402) 1.457 13.485 ( 2.436 0.000 -1.013) 2.638 13.896 ( -0.225 -0.000 -0.714) 0.749 13.998 ( 0.016 0.000 -0.637) 0.637 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 17.034 5.393 5.209) 18.611 1.133 ( 8.456 -1.232 10.654) 13.658 1.406 ( 6.145 0.325 -3.681) 7.170 1.420 ( 2.678 -0.730 2.056) 3.454 1.470 ( 3.437 -1.291 1.700) 4.046 1.538 ( -0.457 -2.667 2.907) 3.972 1.765 ( 3.484 -1.260 -4.181) 5.587 1.854 ( 4.614 9.170 -0.432) 10.274 1.983 ( 2.262 0.684 3.439) 4.173 2.211 ( -0.082 0.872 0.824) 1.203 2.400 ( 2.958 -0.937 -6.031) 6.783 2.570 ( 18.574 -16.443 3.342) 25.031 2.811 ( 9.694 0.941 0.354) 9.746 3.053 ( 2.177 0.289 1.245) 2.524 3.100 ( 0.964 -1.594 0.745) 2.007 3.364 ( 6.219 -0.399 -0.416) 6.246 3.403 ( 4.143 3.364 0.177) 5.340 3.565 ( -0.663 -3.541 -2.650) 4.472 3.677 ( 2.711 -2.702 7.767) 8.659 4.997 ( 1.284 -2.870 -4.405) 5.412 5.569 ( 0.550 4.126 3.181) 5.239 5.849 ( -0.337 0.356 -12.659) 12.668 6.896 ( -11.520 2.055 11.007) 16.065 7.962 ( -6.623 1.325 -9.071) 11.309 8.560 ( -5.486 1.865 3.903) 6.987 9.101 ( -5.155 -3.205 -7.680) 9.789 9.700 ( 2.475 3.663 1.715) 4.742 10.082 ( -0.858 -2.733 8.101) 8.593 10.134 ( 8.150 0.546 -3.226) 8.783 10.514 ( 3.504 -1.012 -2.310) 4.317 13.106 ( 0.330 0.042 1.362) 1.402 13.176 ( -0.907 0.326 1.472) 1.759 13.348 ( 0.324 -0.258 -1.493) 1.550 13.529 ( 2.828 -0.362 -1.154) 3.076 13.893 ( -0.004 -0.120 -0.661) 0.672 13.994 ( -0.144 0.209 -0.339) 0.423 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.973 4.790 4.291) 7.085 1.272 ( 13.813 8.881 5.673) 17.373 1.390 ( -0.947 2.202 1.775) 2.982 1.467 ( -2.640 -3.885 -1.104) 4.825 1.572 ( 2.714 -1.720 0.436) 3.243 1.582 ( 1.254 -1.358 1.448) 2.348 1.777 ( -2.269 -1.468 -0.613) 2.771 1.837 ( 7.374 5.980 -1.559) 9.621 2.056 ( 8.533 3.786 2.074) 9.563 2.182 ( -0.822 1.837 0.147) 2.018 2.410 ( 0.042 -1.402 -5.748) 5.917 2.821 ( 8.229 4.916 1.458) 9.696 3.014 ( -3.044 2.977 8.458) 9.470 3.093 ( 6.103 -5.250 -1.224) 8.143 3.227 ( 8.049 -5.630 -4.469) 10.792 3.404 ( 3.259 2.170 1.073) 4.059 3.482 ( 6.803 -1.300 1.665) 7.124 3.603 ( -0.146 -4.099 -1.281) 4.297 3.845 ( 7.911 -7.298 4.027) 11.492 5.053 ( 1.470 -1.901 -4.244) 4.877 5.466 ( -3.263 7.077 0.578) 7.814 5.822 ( 0.530 -0.625 -8.758) 8.796 6.720 ( -10.408 1.924 10.992) 15.260 7.843 ( -4.147 -0.919 -8.879) 9.843 8.461 ( -5.996 0.436 4.586) 7.562 9.071 ( -3.484 -5.226 -8.310) 10.416 9.688 ( 3.143 5.113 2.810) 6.627 10.123 ( -1.925 -3.097 6.361) 7.332 10.212 ( 5.671 2.859 -2.419) 6.796 10.572 ( 2.531 -1.255 -2.120) 3.533 13.115 ( 0.572 0.253 1.210) 1.362 13.163 ( -0.666 0.295 1.545) 1.708 13.352 ( 0.267 -0.159 -1.825) 1.851 13.567 ( 2.327 0.265 -1.413) 2.735 13.897 ( 0.344 -0.290 -0.357) 0.574 13.987 ( -0.164 0.286 -0.243) 0.409 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.460 4.372 3.535) 5.641 1.299 ( 3.442 8.527 0.098) 9.196 1.364 ( 4.725 8.313 4.846) 10.720 1.422 ( -6.852 -2.181 -0.337) 7.199 1.583 ( 1.451 3.042 -3.246) 4.679 1.619 ( -0.568 -1.564 3.132) 3.547 1.764 ( -1.286 -0.374 1.610) 2.094 1.889 ( 5.300 1.215 -1.368) 5.607 2.103 ( 6.718 7.768 1.697) 10.409 2.164 ( 2.382 2.234 -1.490) 3.590 2.408 ( -1.011 -1.663 -5.521) 5.854 2.797 ( -1.400 7.086 3.061) 7.845 2.987 ( 3.461 3.204 4.948) 6.836 3.163 ( 1.251 -0.178 0.219) 1.282 3.260 ( -0.286 3.074 -3.397) 4.590 3.458 ( 1.733 0.637 1.320) 2.270 3.585 ( 2.686 -0.425 3.161) 4.170 3.652 ( 1.138 -0.945 -0.731) 1.650 4.048 ( 2.078 -0.926 2.033) 3.051 5.020 ( 0.007 3.391 -5.821) 6.737 5.365 ( -1.195 1.747 0.130) 2.120 5.829 ( 0.759 -2.447 -6.196) 6.705 6.628 ( -4.251 -2.207 9.284) 10.446 7.822 ( -0.766 -5.150 -7.808) 9.385 8.406 ( -4.865 -2.866 5.528) 7.902 9.086 ( -1.799 -6.545 -8.771) 11.090 9.677 ( 3.815 5.502 3.640) 7.621 10.130 ( -4.386 -1.631 5.371) 7.124 10.223 ( 4.300 4.844 -2.713) 7.022 10.604 ( 0.527 -0.312 -1.447) 1.571 13.121 ( 0.549 0.680 0.935) 1.280 13.156 ( -0.545 0.022 1.857) 1.936 13.349 ( 0.235 0.245 -2.234) 2.260 13.583 ( 1.523 1.163 -1.683) 2.550 13.907 ( 0.432 -0.231 0.027) 0.490 13.981 ( -0.020 0.181 -0.404) 0.443 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.007 7.803 3.125) 8.405 1.185 ( -3.219 10.261 1.255) 10.827 1.268 ( -6.759 -1.520 -0.174) 6.930 1.364 ( 1.118 6.504 3.018) 7.257 1.542 ( 3.927 6.772 -4.306) 8.935 1.628 ( -0.414 0.787 5.655) 5.725 1.749 ( 0.040 1.784 1.075) 2.084 1.942 ( 2.956 -0.252 -2.157) 3.668 2.072 ( 4.014 10.302 0.510) 11.068 2.165 ( 3.186 2.636 -1.835) 4.524 2.398 ( -0.946 -1.532 -4.531) 4.876 2.654 ( -4.326 7.183 3.039) 8.918 3.011 ( 2.823 2.864 0.382) 4.039 3.154 ( -1.494 1.948 -0.424) 2.491 3.196 ( 0.525 4.147 -0.713) 4.241 3.412 ( -2.190 7.889 0.588) 8.208 3.589 ( -4.961 9.706 1.065) 10.952 3.602 ( -3.068 -1.049 7.127) 7.830 3.891 ( -6.460 8.356 1.682) 10.695 5.029 ( 4.632 -0.366 -8.556) 9.736 5.326 ( -1.347 1.977 0.697) 2.491 5.881 ( 0.750 -5.124 -5.153) 7.306 6.714 ( 3.081 -7.489 7.106) 10.774 7.907 ( 1.546 -8.594 -6.539) 10.909 8.421 ( -3.443 -5.904 5.837) 8.987 9.148 ( 0.300 -7.773 -8.490) 11.514 9.680 ( 4.790 5.213 4.087) 8.175 10.044 ( -6.918 2.729 2.550) 7.862 10.217 ( 3.464 4.067 -1.130) 5.460 10.584 ( -1.779 1.294 -0.845) 2.356 13.119 ( 0.353 0.945 0.857) 1.324 13.155 ( -0.606 -0.234 2.081) 2.180 13.342 ( 0.489 0.515 -2.382) 2.485 13.573 ( 0.762 2.076 -1.902) 2.917 13.914 ( 0.124 -0.033 0.248) 0.280 13.980 ( 0.206 -0.047 -0.716) 0.747 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -3.012 12.615 5.449) 14.068 0.941 ( -4.633 14.091 2.366) 15.021 1.188 ( -4.520 2.933 0.153) 5.391 1.329 ( 1.435 1.281 3.285) 3.806 1.490 ( 3.180 9.075 -2.424) 9.917 1.608 ( -0.059 4.234 6.413) 7.684 1.727 ( 1.017 3.035 1.531) 3.548 1.933 ( -1.914 10.673 -0.364) 10.849 1.983 ( 3.006 1.583 -0.115) 3.400 2.179 ( 2.888 1.590 -2.881) 4.378 2.393 ( 1.475 1.962 -5.232) 5.780 2.505 ( -4.653 3.933 2.200) 6.478 2.922 ( -11.085 15.664 2.536) 19.356 3.019 ( -2.179 4.890 -0.400) 5.368 3.123 ( -2.447 7.694 -0.045) 8.074 3.188 ( 0.279 4.415 1.512) 4.675 3.415 ( -1.938 4.774 -0.310) 5.162 3.577 ( -3.512 0.685 9.331) 9.994 3.786 ( 0.258 3.259 -4.995) 5.970 5.059 ( 3.415 1.859 -7.845) 8.755 5.286 ( -0.584 1.400 2.668) 3.069 5.940 ( -0.508 -4.773 -5.861) 7.576 6.924 ( 4.956 -8.876 5.974) 11.792 8.050 ( 2.003 -9.981 -6.502) 12.079 8.484 ( -2.621 -7.224 5.579) 9.496 9.262 ( 2.237 -8.852 -7.141) 11.591 9.708 ( 5.890 4.369 3.857) 8.286 9.873 ( -8.000 5.260 0.472) 9.586 10.200 ( 1.804 4.628 0.207) 4.971 10.517 ( -2.758 2.398 -0.809) 3.743 13.112 ( 0.034 0.894 0.862) 1.242 13.158 ( -0.448 -0.606 2.331) 2.450 13.339 ( 0.862 0.472 -2.132) 2.348 13.540 ( 0.153 2.834 -1.910) 3.421 13.914 ( -0.213 0.031 0.170) 0.275 13.984 ( 0.368 -0.258 -0.999) 1.096 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.456 13.055 10.702) 16.888 0.738 ( 5.745 16.920 6.200) 18.914 1.089 ( -0.928 5.486 -0.008) 5.564 1.243 ( -2.137 22.957 11.465) 25.749 1.403 ( -1.172 -5.119 3.978) 6.588 1.573 ( -0.146 1.887 2.843) 3.415 1.700 ( 0.729 3.688 2.278) 4.396 1.748 ( -0.346 9.818 1.484) 9.936 2.021 ( 1.364 -1.341 2.623) 3.246 2.186 ( 3.090 3.454 -4.600) 6.530 2.339 ( 2.515 6.273 -1.378) 6.898 2.395 ( -4.231 7.308 -1.282) 8.541 2.612 ( -3.079 1.901 2.049) 4.159 2.967 ( -0.180 2.265 -0.721) 2.384 3.025 ( 1.715 4.747 -1.095) 5.165 3.157 ( 1.273 3.277 -1.561) 3.847 3.356 ( 0.287 2.170 -0.245) 2.203 3.522 ( -0.051 5.854 2.163) 6.241 3.730 ( -1.757 1.707 -2.404) 3.432 5.048 ( 1.993 2.668 -6.284) 7.112 5.318 ( 4.067 -1.657 5.220) 6.821 5.958 ( -1.479 -3.057 -7.721) 8.434 7.091 ( 0.279 -5.531 5.609) 7.883 8.177 ( -0.491 -8.371 -7.655) 11.354 8.567 ( -1.871 -7.335 5.601) 9.416 9.394 ( 1.345 -7.036 -6.612) 9.749 9.669 ( -7.596 4.120 -0.028) 8.642 9.772 ( 7.412 3.688 2.780) 8.733 10.139 ( -0.360 5.851 1.907) 6.164 10.451 ( -0.733 2.007 -1.330) 2.516 13.103 ( -0.194 0.545 0.958) 1.119 13.175 ( -0.018 -1.419 2.544) 2.913 13.341 ( 0.874 0.378 -1.735) 1.979 13.495 ( 0.147 2.784 -1.634) 3.232 13.909 ( -0.342 0.004 -0.153) 0.375 13.991 ( 0.364 -0.324 -1.097) 1.201 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 2.002 0.000 5.903) 6.233 1.309 ( 5.630 0.000 1.064) 5.730 1.452 ( 0.818 0.000 -0.760) 1.117 1.489 ( 2.611 0.000 -3.465) 4.339 1.525 ( 1.189 0.000 5.749) 5.871 1.534 ( 10.231 0.000 4.358) 11.120 1.746 ( -2.534 -0.000 -2.850) 3.814 2.055 ( 2.851 0.000 -2.693) 3.922 2.059 ( 10.373 0.000 1.522) 10.484 2.304 ( 8.750 0.000 -2.507) 9.102 2.391 ( -0.876 -0.000 -3.996) 4.090 2.790 ( 23.959 0.000 -0.713) 23.969 2.974 ( 8.290 0.000 3.207) 8.889 3.065 ( -1.537 -0.000 4.469) 4.726 3.132 ( 4.510 0.000 -0.148) 4.512 3.435 ( 1.385 0.000 1.869) 2.326 3.511 ( 4.369 0.000 0.142) 4.372 3.516 ( 2.051 0.000 -0.997) 2.280 3.739 ( 5.950 0.000 6.624) 8.904 5.002 ( 3.609 0.000 -4.096) 5.459 5.611 ( -1.194 -0.000 3.548) 3.744 5.794 ( -1.503 -0.000 -14.193) 14.272 6.750 ( -13.066 -0.000 12.376) 17.997 7.833 ( -6.878 -0.000 -9.438) 11.678 8.465 ( -9.071 -0.000 4.574) 10.159 8.994 ( -2.840 -0.000 -8.513) 8.975 9.772 ( 3.152 0.000 0.463) 3.186 10.070 ( -1.485 -0.000 9.102) 9.222 10.254 ( 7.299 0.000 -3.194) 7.967 10.551 ( 2.871 0.000 -2.051) 3.528 13.119 ( 0.734 0.000 1.362) 1.548 13.169 ( -0.698 -0.000 1.372) 1.539 13.348 ( 0.411 0.000 -1.600) 1.652 13.571 ( 3.010 0.000 -1.244) 3.257 13.893 ( 0.432 0.000 -0.629) 0.763 13.991 ( -0.314 -0.000 -0.053) 0.319 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.226 2.164 2.611) 4.056 1.337 ( -2.913 -1.631 1.085) 3.510 1.422 ( -0.575 3.953 1.088) 4.140 1.503 ( 0.700 0.058 -3.247) 3.322 1.570 ( -0.831 -2.256 2.684) 3.603 1.720 ( 2.453 -0.656 1.156) 2.790 1.727 ( 9.826 1.263 2.452) 10.206 2.028 ( 1.596 4.929 -1.221) 5.323 2.220 ( 9.070 1.489 0.007) 9.191 2.342 ( 2.157 4.742 2.117) 5.623 2.405 ( 10.315 6.386 -10.092) 15.781 2.976 ( -0.124 4.158 5.023) 6.522 3.071 ( 3.333 2.635 5.528) 6.972 3.146 ( 7.312 -1.194 -1.541) 7.568 3.249 ( 5.317 -4.827 -2.604) 7.638 3.411 ( -2.151 -2.445 1.118) 3.443 3.571 ( 3.161 -0.021 -0.199) 3.168 3.622 ( 8.473 -0.354 1.090) 8.550 3.922 ( 11.707 -4.034 5.012) 13.358 5.067 ( 4.134 -0.542 -3.569) 5.488 5.509 ( -4.629 7.553 0.302) 8.864 5.761 ( -1.518 -3.612 -10.239) 10.963 6.589 ( -11.508 -0.579 12.466) 16.976 7.722 ( -4.784 -1.876 -9.270) 10.599 8.338 ( -9.619 -1.580 5.404) 11.146 8.958 ( -0.953 -2.483 -9.083) 9.465 9.803 ( 3.493 2.977 1.053) 4.709 10.079 ( -2.427 -1.474 8.288) 8.761 10.329 ( 5.270 2.244 -3.035) 6.482 10.586 ( 1.641 -0.649 -1.748) 2.484 13.135 ( 0.907 0.237 1.176) 1.504 13.162 ( -0.488 0.244 1.489) 1.586 13.350 ( 0.439 -0.052 -1.863) 1.914 13.606 ( 2.177 0.432 -1.566) 2.717 13.903 ( 0.958 -0.056 -0.391) 1.036 13.985 ( -0.369 0.079 -0.000) 0.378 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -1.583 1.072 2.113) 2.849 1.274 ( -5.189 1.376 -0.470) 5.389 1.343 ( -2.614 4.545 1.781) 5.538 1.464 ( -3.134 1.180 -2.062) 3.932 1.591 ( -0.819 -2.233 0.798) 2.509 1.761 ( 1.505 -0.339 2.320) 2.786 1.866 ( 10.394 4.243 0.127) 11.227 1.984 ( 2.426 4.909 -0.247) 5.481 2.283 ( 4.801 5.278 0.888) 7.190 2.319 ( 2.064 3.396 -0.878) 4.070 2.433 ( 11.346 10.172 -8.102) 17.258 2.879 ( -2.892 7.440 5.530) 9.711 3.094 ( 2.570 2.895 2.321) 4.513 3.201 ( 1.799 1.427 0.627) 2.380 3.264 ( -1.732 0.773 0.307) 1.921 3.475 ( 0.936 -3.061 1.437) 3.508 3.593 ( 0.761 1.393 -0.567) 1.686 3.737 ( 5.891 1.844 0.256) 6.178 4.116 ( 3.999 4.056 3.862) 6.882 5.068 ( 1.822 3.616 -4.996) 6.431 5.379 ( -1.143 2.607 0.214) 2.854 5.766 ( -1.002 -3.912 -8.193) 9.135 6.521 ( -6.065 -5.600 10.877) 13.655 7.699 ( -1.573 -5.730 -8.318) 10.223 8.262 ( -7.736 -4.938 6.020) 10.975 8.978 ( 0.815 -4.337 -9.026) 10.047 9.814 ( 3.801 4.071 2.304) 6.028 10.064 ( -4.463 -0.394 6.375) 7.792 10.345 ( 3.988 4.102 -2.744) 6.344 10.601 ( -0.048 -0.030 -1.336) 1.337 13.144 ( 0.693 0.700 0.826) 1.285 13.156 ( -0.413 0.278 1.882) 1.946 13.351 ( 0.437 0.137 -2.164) 2.212 13.617 ( 1.265 1.030 -1.968) 2.556 13.917 ( 0.899 0.220 -0.092) 0.930 13.979 ( -0.269 -0.022 -0.205) 0.340 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.503 3.882 1.462) 4.412 1.171 ( -3.596 -0.315 0.570) 3.654 1.228 ( -1.991 7.038 1.778) 7.527 1.384 ( -2.988 2.346 -0.881) 3.900 1.598 ( -0.502 0.048 -0.198) 0.542 1.771 ( 0.166 1.329 1.495) 2.007 1.924 ( 6.315 6.141 -3.249) 9.389 1.981 ( 4.384 3.364 0.695) 5.570 2.250 ( 0.310 5.494 2.208) 5.929 2.289 ( 3.437 7.262 -0.551) 8.053 2.440 ( 9.621 8.370 -7.201) 14.645 2.729 ( -2.412 9.646 2.633) 10.286 3.079 ( 0.878 3.406 0.071) 3.518 3.174 ( -0.395 3.103 -0.392) 3.153 3.245 ( -0.988 0.766 4.128) 4.313 3.497 ( 0.505 4.130 0.506) 4.191 3.553 ( -2.485 2.136 -0.526) 3.319 3.690 ( -4.474 12.808 6.208) 14.920 3.927 ( -5.203 10.244 2.341) 11.726 5.095 ( 6.294 0.730 -7.213) 9.600 5.339 ( -1.572 1.962 1.119) 2.752 5.801 ( 0.336 -4.943 -7.165) 8.711 6.625 ( -0.253 -11.607 8.543) 14.414 7.775 ( 0.625 -8.976 -7.222) 11.537 8.270 ( -4.985 -7.733 5.702) 10.824 9.053 ( 2.805 -6.041 -7.920) 10.349 9.828 ( 4.216 3.971 2.854) 6.457 9.977 ( -6.780 2.436 4.196) 8.338 10.335 ( 3.406 4.668 -1.856) 6.069 10.574 ( -1.581 1.517 -1.070) 2.439 13.140 ( 0.152 1.068 0.650) 1.259 13.153 ( -0.366 0.171 2.199) 2.236 13.349 ( 0.588 0.242 -2.211) 2.300 13.606 ( 0.593 1.740 -2.344) 2.979 13.922 ( 0.319 0.544 0.119) 0.642 13.977 ( -0.076 -0.245 -0.543) 0.601 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.310 8.920 2.416) 9.247 1.113 ( 1.513 9.817 3.157) 10.422 1.173 ( 0.710 -0.320 0.577) 0.970 1.327 ( -0.637 0.771 0.794) 1.278 1.573 ( -0.732 2.303 -1.294) 2.741 1.745 ( -0.447 3.578 0.684) 3.670 1.848 ( -2.229 8.265 -2.027) 8.797 2.018 ( 4.344 2.580 1.527) 5.279 2.138 ( 0.122 11.573 2.546) 11.850 2.245 ( 1.213 4.253 0.521) 4.453 2.474 ( 7.970 3.782 -6.848) 11.167 2.565 ( -0.922 9.864 0.336) 9.912 3.016 ( -1.730 10.005 0.821) 10.187 3.100 ( 0.807 11.125 0.230) 11.157 3.185 ( -8.113 11.801 3.460) 14.733 3.220 ( -2.308 1.480 2.952) 4.029 3.454 ( -1.577 4.873 -0.099) 5.123 3.599 ( 1.523 1.935 8.513) 8.862 3.814 ( -0.954 3.848 -4.559) 6.041 5.135 ( 4.294 3.143 -7.183) 8.939 5.303 ( -0.582 0.163 3.450) 3.502 5.851 ( 0.000 -4.297 -7.249) 8.427 6.829 ( -0.098 -12.670 7.225) 14.585 7.904 ( 0.850 -10.192 -7.101) 12.451 8.343 ( -2.419 -8.708 4.554) 10.121 9.183 ( 4.405 -7.261 -5.835) 10.304 9.792 ( -6.944 4.457 0.924) 8.303 9.880 ( 3.598 3.588 3.845) 6.372 10.302 ( 1.397 5.466 -0.281) 5.649 10.517 ( -0.948 2.494 -1.444) 3.034 13.125 ( -0.380 1.038 0.707) 1.312 13.155 ( -0.145 -0.162 2.311) 2.322 13.350 ( 0.715 0.208 -1.929) 2.068 13.574 ( 0.122 2.502 -2.448) 3.503 13.915 ( -0.135 0.531 0.104) 0.557 13.980 ( 0.083 -0.451 -0.823) 0.942 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 3.509 11.339 6.336) 13.455 1.050 ( 7.929 9.558 4.260) 13.129 1.213 ( 6.382 4.968 1.157) 8.170 1.329 ( -3.103 -1.046 2.587) 4.174 1.424 ( -5.175 9.507 0.878) 10.860 1.618 ( -2.161 3.977 2.045) 4.966 1.753 ( -0.410 2.817 1.089) 3.048 1.963 ( 0.852 12.678 0.879) 12.737 2.040 ( -0.854 2.101 4.596) 5.125 2.222 ( -0.094 -0.546 -1.075) 1.210 2.424 ( 1.152 8.041 -1.738) 8.307 2.556 ( 3.802 -1.006 -3.564) 5.307 2.736 ( 7.838 22.969 1.062) 24.292 3.025 ( 1.856 4.239 -0.701) 4.680 3.116 ( 3.258 2.861 -0.569) 4.373 3.177 ( -2.634 -0.048 2.399) 3.563 3.380 ( -0.729 3.089 0.915) 3.303 3.626 ( 3.586 3.533 6.046) 7.868 3.729 ( -1.556 3.392 -5.156) 6.365 5.107 ( 1.538 3.953 -6.105) 7.434 5.355 ( 2.695 -3.040 4.820) 6.304 5.873 ( -0.641 -3.010 -8.508) 9.047 6.968 ( -4.733 -9.092 7.472) 12.685 8.014 ( -1.440 -8.470 -7.788) 11.596 8.452 ( -0.550 -8.228 3.644) 9.016 9.331 ( 3.463 -5.289 -5.612) 8.454 9.600 ( -7.932 3.778 1.770) 8.962 9.931 ( 6.159 2.394 2.125) 6.941 10.224 ( -0.936 6.102 1.723) 6.409 10.484 ( 1.691 2.353 -2.175) 3.623 13.109 ( -0.420 0.648 0.882) 1.173 13.166 ( -0.168 -0.715 2.212) 2.331 13.353 ( 0.604 0.249 -1.578) 1.708 13.533 ( 0.309 2.629 -2.108) 3.384 13.906 ( -0.235 0.320 -0.156) 0.426 13.986 ( 0.121 -0.519 -0.885) 1.033 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -4.286 -0.000 1.278) 4.472 1.290 ( -2.851 -0.000 2.160) 3.577 1.480 ( -2.139 -0.000 -2.718) 3.459 1.485 ( 1.808 0.000 -0.884) 2.013 1.487 ( -4.593 -0.000 2.376) 5.172 1.755 ( 3.440 0.000 3.397) 4.835 1.886 ( 5.701 0.000 -0.646) 5.737 2.054 ( 0.943 0.000 -0.147) 0.955 2.319 ( -1.981 -0.000 -1.970) 2.794 2.380 ( 8.092 0.000 -0.191) 8.095 2.710 ( 15.283 0.000 -5.897) 16.381 2.979 ( -4.057 -0.000 7.393) 8.433 3.164 ( 2.453 0.000 3.933) 4.635 3.246 ( 2.176 0.000 0.591) 2.255 3.252 ( 1.526 0.000 -2.480) 2.912 3.355 ( 1.316 0.000 -1.807) 2.236 3.620 ( 2.697 0.000 0.416) 2.729 3.758 ( 7.685 0.000 0.408) 7.696 4.140 ( 16.959 0.000 3.618) 17.340 5.130 ( 4.177 0.000 -2.937) 5.106 5.490 ( -7.809 -0.000 2.529) 8.208 5.653 ( -1.245 -0.000 -12.274) 12.337 6.441 ( -10.702 -0.000 12.957) 16.805 7.616 ( -2.891 -0.000 -9.105) 9.553 8.187 ( -9.440 -0.000 5.779) 11.069 8.917 ( 1.109 0.000 -9.189) 9.256 9.877 ( 3.051 0.000 0.718) 3.134 10.052 ( -3.052 -0.000 8.453) 8.987 10.408 ( 3.825 0.000 -2.884) 4.790 10.596 ( 0.762 0.000 -1.605) 1.777 13.153 ( 0.614 0.000 1.385) 1.515 13.163 ( -0.086 -0.000 1.159) 1.162 13.352 ( 0.467 0.000 -1.989) 2.043 13.631 ( 1.242 0.000 -1.935) 2.299 13.921 ( 1.364 0.000 -0.293) 1.395 13.978 ( -0.466 -0.000 0.005) 0.466 ======================= Grid point 95 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.364 -0.724 1.475) 2.879 1.242 ( -2.510 1.825 1.202) 3.328 1.376 ( -3.400 3.543 2.171) 5.369 1.443 ( -0.549 2.136 -1.574) 2.710 1.544 ( 0.371 -3.278 -1.267) 3.534 1.803 ( 1.599 1.140 3.065) 3.640 1.921 ( 0.221 -1.376 -1.797) 2.274 2.077 ( 1.911 1.198 -1.768) 2.866 2.293 ( -0.480 0.345 0.264) 0.648 2.453 ( 4.145 3.291 -0.539) 5.320 2.805 ( 8.773 11.489 -2.634) 14.694 2.936 ( 0.455 2.767 2.940) 4.063 3.170 ( 1.068 3.363 2.464) 4.304 3.225 ( -1.967 0.656 0.715) 2.194 3.248 ( -0.483 0.667 1.671) 1.863 3.443 ( 2.537 -4.304 -1.134) 5.123 3.641 ( 1.203 2.015 0.647) 2.434 3.839 ( 3.601 1.429 -0.688) 3.935 4.325 ( 7.849 10.497 2.436) 13.331 5.132 ( 1.727 2.332 -4.494) 5.350 5.365 ( -5.496 -0.289 1.389) 5.676 5.669 ( 1.910 -4.170 -9.508) 10.556 6.367 ( -7.135 -5.420 12.111) 15.065 7.595 ( 0.229 -3.535 -8.184) 8.918 8.101 ( -6.455 -3.564 5.734) 9.341 8.938 ( 2.957 -2.160 -8.425) 9.186 9.910 ( 2.467 1.677 1.879) 3.525 10.017 ( -4.400 0.583 6.603) 7.956 10.434 ( 2.656 2.098 -2.401) 4.150 10.597 ( -0.078 0.237 -1.572) 1.592 13.159 ( -0.187 0.222 2.183) 2.203 13.165 ( 0.287 0.496 0.354) 0.674 13.352 ( 0.385 0.020 -2.173) 2.206 13.634 ( 0.510 0.430 -2.361) 2.454 13.937 ( 0.946 0.409 -0.112) 1.036 13.972 ( -0.394 -0.098 -0.224) 0.464 ======================= Grid point 96 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.051 -1.493 1.715) 2.274 1.180 ( -0.064 3.496 0.817) 3.591 1.302 ( 0.147 4.506 2.552) 5.180 1.397 ( -0.020 3.046 -1.030) 3.215 1.577 ( -0.295 -1.834 -1.594) 2.448 1.795 ( -0.078 1.593 1.803) 2.407 1.948 ( 0.434 -0.880 -2.722) 2.894 2.043 ( -2.439 1.056 -2.839) 3.889 2.294 ( 0.691 1.152 2.298) 2.662 2.415 ( 0.014 6.108 -0.488) 6.128 2.717 ( 1.376 9.486 -0.163) 9.586 2.891 ( 4.643 11.935 -2.022) 12.965 3.139 ( 0.297 3.038 1.782) 3.534 3.207 ( -1.324 -0.037 3.670) 3.902 3.217 ( -1.646 1.444 0.872) 2.357 3.503 ( -0.271 -0.182 -0.441) 0.549 3.610 ( 0.746 3.950 1.152) 4.181 3.808 ( -1.403 6.587 -0.253) 6.739 4.076 ( -3.986 21.481 3.694) 22.158 5.183 ( 5.808 -0.372 -6.802) 8.952 5.298 ( -5.475 -1.367 1.172) 5.764 5.745 ( 3.858 -2.960 -7.444) 8.892 6.453 ( -2.717 -12.639 10.139) 16.430 7.666 ( 2.390 -6.397 -7.040) 9.808 8.119 ( -2.497 -6.610 4.785) 8.534 9.020 ( 4.772 -4.242 -6.634) 9.207 9.900 ( -3.722 3.118 2.227) 5.341 9.953 ( -0.285 1.566 4.667) 4.931 10.425 ( 1.561 3.215 -1.440) 3.853 10.575 ( -0.354 1.498 -1.693) 2.288 13.155 ( -0.327 0.927 0.904) 1.335 13.159 ( -0.232 0.334 1.745) 1.792 13.352 ( 0.371 -0.072 -2.188) 2.221 13.622 ( 0.037 0.942 -2.761) 2.918 13.937 ( 0.167 0.865 0.118) 0.889 13.968 ( -0.204 -0.314 -0.557) 0.671 ======================= Grid point 97 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.811 2.665 1.233) 3.047 1.196 ( 3.525 0.433 2.276) 4.218 1.268 ( 3.803 4.641 2.459) 6.484 1.374 ( 3.139 2.811 -0.751) 4.280 1.575 ( -0.998 0.482 -1.150) 1.597 1.769 ( -2.090 3.245 0.187) 3.864 1.843 ( -6.399 4.921 -2.951) 8.595 2.043 ( 0.025 -2.707 0.922) 2.860 2.239 ( -3.207 6.436 0.262) 7.196 2.322 ( -1.371 5.019 1.470) 5.407 2.618 ( 1.496 6.862 -1.622) 7.208 2.717 ( -3.528 13.114 1.335) 13.645 3.110 ( 0.784 2.834 0.671) 3.016 3.150 ( -3.914 1.265 3.621) 5.480 3.191 ( -2.032 2.155 0.197) 2.969 3.399 ( 3.069 13.234 -2.593) 13.831 3.532 ( -0.408 8.976 1.447) 9.101 3.706 ( 2.396 3.652 4.721) 6.432 3.862 ( 0.710 8.283 -1.569) 8.460 5.182 ( -2.797 -0.078 -6.050) 6.665 5.294 ( 1.832 -0.945 1.741) 2.698 5.807 ( 2.876 -1.155 -6.556) 7.252 6.637 ( -2.648 -13.921 8.509) 16.529 7.785 ( 2.711 -7.234 -6.719) 10.238 8.221 ( 0.759 -7.782 3.279) 8.479 9.160 ( 5.950 -5.819 -4.187) 9.316 9.743 ( -7.822 5.440 1.257) 9.610 9.977 ( 2.535 0.721 3.237) 4.174 10.376 ( -0.893 4.582 0.287) 4.677 10.549 ( 1.339 2.107 -2.287) 3.386 13.133 ( -0.705 1.038 0.534) 1.364 13.159 ( -0.215 0.105 2.232) 2.244 13.354 ( 0.380 -0.197 -1.971) 2.017 13.594 ( -0.285 1.566 -2.855) 3.269 13.923 ( -0.234 0.896 0.234) 0.955 13.971 ( -0.014 -0.515 -0.807) 0.958 ======================= Grid point 98 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.162 4.636 4.499) 6.563 1.268 ( 3.990 5.454 4.341) 8.031 1.306 ( 1.827 1.222 0.060) 2.198 1.391 ( 2.940 5.663 4.028) 7.546 1.455 ( -0.278 4.509 -2.444) 5.136 1.615 ( -2.706 0.995 0.156) 2.888 1.775 ( -0.969 1.695 0.629) 2.051 2.049 ( -5.245 5.720 3.306) 8.436 2.061 ( -4.101 4.236 0.538) 5.920 2.204 ( -3.333 2.461 0.315) 4.155 2.530 ( -2.086 6.307 -0.099) 6.644 2.591 ( 3.506 2.205 -1.390) 4.369 3.078 ( -5.554 0.158 4.505) 7.154 3.108 ( 4.599 1.888 -3.372) 6.007 3.129 ( 1.224 3.745 -0.913) 4.045 3.312 ( 9.711 14.346 -1.946) 17.433 3.443 ( 0.886 4.636 1.891) 5.084 3.711 ( -0.831 1.021 1.578) 2.055 3.808 ( 6.627 7.500 -0.296) 10.013 5.126 ( -2.438 -0.417 -5.232) 5.787 5.349 ( 1.373 -2.456 2.280) 3.622 5.830 ( 1.540 -0.185 -6.681) 6.859 6.766 ( -5.868 -10.183 8.478) 14.491 7.886 ( 0.939 -5.383 -7.329) 9.142 8.360 ( 1.932 -7.264 2.577) 7.946 9.315 ( 4.546 -4.062 -4.497) 7.576 9.546 ( -7.110 4.466 2.371) 8.725 10.025 ( 3.214 -0.429 1.250) 3.475 10.283 ( -2.106 5.302 2.233) 6.126 10.546 ( 2.704 2.060 -2.604) 4.282 13.113 ( -0.543 0.628 0.761) 1.126 13.162 ( -0.318 -0.207 2.045) 2.080 13.356 ( 0.306 -0.133 -1.756) 1.788 13.560 ( 0.026 1.650 -2.426) 2.934 13.909 ( -0.186 0.643 0.097) 0.676 13.977 ( 0.078 -0.588 -0.822) 1.013 ======================= Grid point 103 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.326 -0.000 2.181) 2.206 1.231 ( -1.077 -0.000 1.010) 1.476 1.368 ( -0.201 -0.000 2.173) 2.182 1.464 ( 0.350 -0.000 -1.236) 1.284 1.516 ( -0.136 0.000 -2.168) 2.172 1.841 ( -0.160 -0.000 3.869) 3.873 1.895 ( 0.173 -0.000 -2.113) 2.120 2.066 ( -2.561 -0.000 -4.444) 5.129 2.305 ( 0.572 -0.000 1.806) 1.894 2.504 ( -0.339 -0.000 -1.025) 1.080 2.862 ( -4.828 -0.000 2.954) 5.660 3.060 ( 7.038 -0.000 -1.426) 7.181 3.200 ( -2.206 -0.000 4.290) 4.824 3.210 ( 0.179 -0.000 0.402) 0.440 3.260 ( -0.172 -0.000 -0.215) 0.275 3.452 ( 3.101 -0.000 0.319) 3.117 3.668 ( -0.153 -0.000 1.116) 1.126 3.871 ( -0.637 -0.000 -1.350) 1.493 4.527 ( 0.175 -0.000 -0.098) 0.201 5.112 ( -2.680 -0.000 -5.796) 6.385 5.259 ( -2.668 -0.000 0.809) 2.788 5.704 ( 7.688 -0.000 -7.333) 10.624 6.256 ( -5.530 -0.000 12.011) 13.223 7.574 ( 3.185 -0.000 -7.209) 7.881 8.021 ( -2.287 -0.000 5.063) 5.556 8.960 ( 4.723 -0.000 -6.990) 8.436 9.950 ( 0.682 -0.000 2.711) 2.795 9.969 ( -4.831 -0.000 4.903) 6.884 10.471 ( 1.211 -0.000 -1.670) 2.063 10.596 ( 0.236 -0.000 -1.884) 1.899 13.164 ( -0.234 -0.000 2.273) 2.285 13.170 ( -0.264 -0.000 0.215) 0.340 13.350 ( 0.156 -0.000 -2.312) 2.317 13.633 ( -0.008 -0.000 -2.734) 2.734 13.951 ( 0.307 -0.000 0.024) 0.307 13.964 ( -0.328 -0.000 -0.451) 0.558 ======================= Grid point 105 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.696 -0.341 2.359) 2.926 1.223 ( 1.271 0.811 0.427) 1.567 1.384 ( 2.605 3.070 2.270) 4.622 1.443 ( 1.516 2.236 -1.406) 3.045 1.529 ( -0.792 -3.056 -2.010) 3.743 1.817 ( -1.434 1.398 2.634) 3.309 1.923 ( -0.383 -1.231 -1.852) 2.256 1.987 ( -3.784 0.578 -3.875) 5.446 2.304 ( -1.354 0.117 0.751) 1.553 2.441 ( -4.384 2.732 -1.023) 5.266 2.777 ( -2.588 3.331 -0.448) 4.242 3.076 ( -0.034 8.050 -0.489) 8.065 3.129 ( -5.905 1.423 6.904) 9.196 3.223 ( 1.693 1.570 0.299) 2.328 3.239 ( 0.095 1.732 -0.068) 1.736 3.510 ( 1.690 -0.667 2.021) 2.718 3.650 ( -0.729 1.106 1.127) 1.739 3.810 ( -4.818 1.791 -1.557) 5.371 4.280 ( -10.415 14.339 0.874) 17.744 5.092 ( -4.959 -4.430 -6.244) 9.121 5.293 ( 5.160 0.018 -1.528) 5.381 5.809 ( 7.701 0.598 -5.775) 9.644 6.293 ( -1.518 -8.386 10.568) 13.577 7.643 ( 5.263 -2.725 -5.880) 8.349 8.060 ( 2.486 -3.231 3.772) 5.554 9.044 ( 6.077 -2.284 -4.678) 8.001 9.872 ( -5.744 3.442 2.100) 7.018 9.968 ( -0.724 -1.179 3.458) 3.725 10.465 ( -0.250 1.690 -0.617) 1.816 10.591 ( 0.690 0.807 -1.996) 2.260 13.156 ( -0.982 0.387 0.082) 1.059 13.167 ( -0.157 0.378 2.507) 2.540 13.346 ( 0.006 -0.256 -2.394) 2.408 13.619 ( -0.392 0.381 -3.033) 3.082 13.946 ( -0.374 0.549 0.314) 0.735 13.960 ( -0.113 -0.216 -0.760) 0.798 ======================= Grid point 106 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.802 1.467 2.258) 2.810 1.277 ( 5.336 -1.309 0.079) 5.495 1.357 ( 0.644 2.771 1.399) 3.170 1.485 ( 6.378 1.787 -0.759) 6.667 1.547 ( -0.939 -1.857 -0.978) 2.299 1.759 ( -8.980 6.709 -1.188) 11.272 1.798 ( -3.121 0.464 1.014) 3.314 2.006 ( 1.058 -2.333 -1.122) 2.797 2.235 ( -5.721 3.528 -0.673) 6.755 2.324 ( -5.222 2.155 -0.202) 5.653 2.706 ( 0.849 4.005 -2.737) 4.925 2.799 ( -11.402 14.582 6.054) 19.475 3.058 ( -5.474 0.476 3.649) 6.596 3.186 ( -2.148 2.979 -0.771) 3.752 3.225 ( 2.902 3.181 -0.792) 4.378 3.520 ( 1.516 2.722 2.424) 3.948 3.611 ( -2.698 3.624 -0.033) 4.519 3.710 ( -3.804 -0.655 0.341) 3.875 4.030 ( -2.362 5.634 0.058) 6.109 5.044 ( -4.594 -2.889 -5.651) 7.835 5.345 ( 2.919 1.247 -1.314) 3.435 5.876 ( 5.690 2.771 -4.765) 7.922 6.457 ( -0.095 -10.906 8.530) 13.846 7.761 ( 5.835 -3.397 -5.374) 8.629 8.190 ( 5.398 -4.478 2.433) 7.424 9.180 ( 6.536 -4.229 -1.856) 8.003 9.710 ( -6.871 5.914 0.025) 9.066 9.987 ( -0.812 -2.262 2.366) 3.372 10.409 ( -2.117 3.520 0.837) 4.192 10.589 ( 1.483 0.974 -2.070) 2.726 13.131 ( -1.151 0.566 0.226) 1.303 13.166 ( -0.200 0.427 2.451) 2.496 13.345 ( 0.004 -0.593 -2.287) 2.362 13.593 ( -0.714 0.770 -3.002) 3.181 13.931 ( -0.506 0.739 0.538) 1.044 13.962 ( 0.128 -0.416 -0.974) 1.067 ======================= Grid point 107 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.745 1.818 3.862) 5.075 1.302 ( -8.626 7.925 2.755) 12.033 1.420 ( -6.525 7.504 4.265) 10.820 1.428 ( 8.534 -4.185 -0.639) 9.526 1.556 ( 1.054 -0.627 -4.522) 4.685 1.587 ( 4.121 -0.643 2.265) 4.746 1.773 ( -1.419 0.561 0.378) 1.572 2.019 ( -2.981 0.200 2.740) 4.054 2.043 ( -9.331 7.896 0.309) 12.227 2.170 ( -5.976 2.350 0.100) 6.422 2.548 ( -4.364 3.929 0.732) 5.918 2.683 ( 3.619 2.837 -3.847) 5.996 2.963 ( -7.437 -0.543 5.501) 9.267 3.142 ( 0.373 -0.308 -2.045) 2.101 3.215 ( 2.367 3.688 -2.259) 4.930 3.503 ( -1.279 4.506 -1.038) 4.797 3.512 ( 0.344 1.985 2.835) 3.478 3.695 ( -1.476 -1.103 1.565) 2.417 4.003 ( 2.344 0.881 -0.105) 2.506 5.010 ( -2.689 -2.918 -5.871) 7.086 5.357 ( 0.640 0.126 -0.311) 0.723 5.885 ( 3.572 4.113 -4.227) 6.895 6.599 ( -1.489 -7.416 7.856) 10.905 7.864 ( 4.508 -1.331 -5.939) 7.574 8.342 ( 5.019 -3.873 2.339) 6.757 9.331 ( 5.146 -3.253 -2.171) 6.463 9.515 ( -6.402 5.452 0.982) 8.466 10.025 ( 0.376 -3.549 0.067) 3.569 10.316 ( -3.206 4.202 2.393) 5.802 10.595 ( 1.606 0.864 -1.961) 2.678 13.111 ( -0.736 0.255 0.557) 0.958 13.163 ( -0.296 0.293 2.151) 2.191 13.348 ( 0.015 -0.647 -2.177) 2.272 13.565 ( -0.424 0.603 -2.483) 2.590 13.916 ( -0.236 0.640 0.482) 0.835 13.969 ( 0.262 -0.488 -0.956) 1.105 ======================= Grid point 113 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.516 0.000 2.078) 2.572 1.251 ( 2.011 0.000 0.175) 2.019 1.456 ( -1.889 -0.000 -2.541) 3.166 1.459 ( 0.295 0.000 1.386) 1.417 1.511 ( 5.607 0.000 -0.898) 5.679 1.790 ( -3.317 -0.000 3.090) 4.533 1.857 ( -8.070 -0.000 -1.229) 8.163 1.974 ( 3.531 0.000 -4.069) 5.388 2.264 ( -3.408 -0.000 -1.447) 3.702 2.355 ( -8.145 -0.000 -1.103) 8.219 2.761 ( -0.968 -0.000 -3.274) 3.414 3.055 ( -8.832 -0.000 8.182) 12.040 3.101 ( -3.562 -0.000 0.434) 3.588 3.249 ( -1.386 -0.000 0.618) 1.517 3.273 ( 2.456 0.000 -0.857) 2.601 3.543 ( 1.308 0.000 5.639) 5.788 3.628 ( -2.726 -0.000 0.721) 2.819 3.708 ( -9.162 -0.000 -0.823) 9.199 4.070 ( -23.031 -0.000 1.006) 23.053 5.016 ( -0.661 -0.000 -7.194) 7.225 5.381 ( 5.631 0.000 -3.338) 6.546 5.924 ( 7.499 0.000 -4.862) 8.937 6.274 ( 3.288 0.000 9.711) 10.253 7.712 ( 7.424 0.000 -4.394) 8.628 8.127 ( 7.243 0.000 2.640) 7.709 9.117 ( 6.616 0.000 -1.911) 6.887 9.820 ( -5.069 -0.000 -0.968) 5.160 9.929 ( -3.420 -0.000 3.629) 4.987 10.461 ( -1.764 -0.000 0.200) 1.776 10.601 ( 0.630 0.000 -1.604) 1.723 13.139 ( -1.395 -0.000 0.085) 1.398 13.175 ( -0.173 -0.000 2.636) 2.641 13.334 ( -0.209 -0.000 -2.635) 2.643 13.604 ( -0.828 -0.000 -3.146) 3.253 13.942 ( -0.739 -0.000 0.664) 0.993 13.956 ( 0.152 0.000 -1.047) 1.058 ======================= Grid point 114 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -2.480 1.951 1.898) 3.683 1.311 ( 3.250 -3.044 0.108) 4.454 1.389 ( -1.430 2.662 -0.847) 3.138 1.483 ( -1.926 -3.161 -1.256) 3.909 1.590 ( 4.243 0.283 0.172) 4.256 1.669 ( -12.010 4.434 0.973) 12.839 1.767 ( -0.540 -0.496 1.175) 1.385 2.021 ( 2.787 0.311 -2.630) 3.845 2.173 ( -6.582 2.418 -1.977) 7.285 2.225 ( -7.639 -0.797 -1.349) 7.798 2.746 ( 1.482 1.363 -4.968) 5.361 2.811 ( -14.015 12.989 7.886) 20.672 2.998 ( -6.411 2.581 1.730) 7.124 3.190 ( -2.960 2.957 0.808) 4.261 3.279 ( -1.022 -0.744 -1.948) 2.323 3.510 ( -10.188 -0.894 4.004) 10.983 3.589 ( -1.278 1.463 1.758) 2.620 3.618 ( -2.678 -3.856 2.659) 5.395 3.815 ( -14.971 -9.057 -0.121) 17.498 4.991 ( 0.216 0.041 -6.604) 6.607 5.411 ( 2.201 2.860 -3.591) 5.091 5.996 ( 5.468 2.631 -3.892) 7.209 6.420 ( 6.469 -4.321 7.628) 10.896 7.832 ( 8.302 -0.761 -3.802) 9.163 8.275 ( 9.076 -1.019 1.890) 9.326 9.234 ( 6.198 -2.260 1.442) 6.753 9.693 ( -5.018 5.715 -3.145) 8.230 9.910 ( -3.569 -4.269 1.710) 5.822 10.407 ( -3.724 1.961 1.231) 4.385 10.604 ( 0.222 -0.074 -1.206) 1.229 13.117 ( -1.274 0.127 0.264) 1.307 13.176 ( -0.247 0.417 2.547) 2.593 13.327 ( -0.140 -0.577 -2.650) 2.715 13.576 ( -1.245 0.214 -2.919) 3.181 13.931 ( -0.599 0.317 0.870) 1.103 13.959 ( 0.442 -0.203 -1.233) 1.326 ======================= Grid point 115 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -4.787 1.035 3.580) 6.067 1.234 ( -15.372 7.451 3.725) 17.484 1.404 ( -1.106 -0.209 0.862) 1.418 1.460 ( -0.959 -2.430 0.593) 2.678 1.501 ( -0.634 -1.966 -1.896) 2.804 1.647 ( 1.936 -2.003 0.691) 2.870 1.766 ( -0.400 1.301 -0.609) 1.491 1.990 ( -4.355 1.836 3.059) 5.629 2.004 ( -11.100 9.044 0.997) 14.353 2.098 ( -1.884 -1.233 -2.231) 3.170 2.505 ( -6.535 2.419 -0.519) 6.988 2.753 ( 1.477 3.043 -4.796) 5.869 2.874 ( -5.234 -0.170 3.842) 6.495 3.123 ( -2.193 -0.021 -0.186) 2.201 3.260 ( -1.708 0.084 -2.950) 3.410 3.393 ( -9.794 -4.740 1.671) 11.008 3.547 ( -2.643 0.124 1.702) 3.146 3.645 ( -1.649 -2.310 4.646) 5.445 3.809 ( -8.585 -13.144 1.163) 15.742 4.988 ( 1.939 -0.042 -7.199) 7.456 5.373 ( -0.441 2.489 -2.607) 3.631 5.999 ( 3.230 4.992 -3.173) 6.739 6.590 ( 6.305 -2.042 6.485) 9.272 7.944 ( 7.232 1.317 -4.245) 8.489 8.419 ( 7.022 0.060 2.396) 7.420 9.370 ( 5.165 -3.010 2.569) 6.507 9.509 ( -4.953 7.254 -3.219) 9.355 9.947 ( -1.243 -6.338 -1.062) 6.546 10.307 ( -5.174 2.780 2.233) 6.283 10.603 ( -0.491 -0.481 -0.971) 1.190 13.102 ( -0.689 -0.096 0.565) 0.897 13.172 ( -0.331 0.555 2.241) 2.332 13.329 ( 0.010 -0.858 -2.539) 2.680 13.549 ( -1.004 -0.242 -2.340) 2.558 13.921 ( -0.275 0.397 0.766) 0.905 13.967 ( 0.582 -0.270 -1.205) 1.365 ======================= Grid point 122 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -8.899 -0.000 2.612) 9.274 1.305 ( -4.630 -0.000 1.041) 4.746 1.360 ( -3.011 -0.000 -3.211) 4.402 1.423 ( -1.675 -0.000 0.061) 1.677 1.534 ( -8.158 -0.000 2.686) 8.589 1.616 ( -0.736 -0.000 1.494) 1.665 1.790 ( 2.462 0.000 -2.072) 3.218 2.044 ( -10.246 -0.000 1.589) 10.368 2.056 ( 0.905 0.000 -1.720) 1.944 2.144 ( -1.339 -0.000 -5.532) 5.692 2.754 ( -11.335 -0.000 8.737) 14.311 2.782 ( 3.756 0.000 -7.423) 8.319 2.920 ( -30.164 -0.000 4.623) 30.516 2.931 ( -8.279 -0.000 0.030) 8.279 3.165 ( -3.904 -0.000 1.963) 4.370 3.430 ( -1.605 -0.000 0.973) 1.877 3.518 ( -4.281 -0.000 0.328) 4.294 3.550 ( -9.016 -0.000 0.157) 9.018 3.640 ( 1.516 0.000 2.828) 3.209 4.975 ( 0.329 0.000 -5.253) 5.263 5.431 ( -0.913 -0.000 -5.171) 5.251 6.075 ( 3.418 0.000 -3.473) 4.873 6.559 ( 10.923 0.000 6.290) 12.604 7.960 ( 9.449 0.000 -3.183) 9.971 8.427 ( 9.614 0.000 1.924) 9.804 9.316 ( 4.997 0.000 5.310) 7.291 9.680 ( -1.535 -0.000 -8.718) 8.852 9.797 ( -5.421 -0.000 2.425) 5.939 10.351 ( -5.770 -0.000 1.821) 6.050 10.591 ( -1.308 -0.000 -0.588) 1.434 13.101 ( -0.936 -0.000 0.463) 1.045 13.182 ( -0.373 -0.000 2.501) 2.529 13.314 ( 0.108 0.000 -2.766) 2.768 13.546 ( -1.739 -0.000 -2.555) 3.091 13.927 ( -0.434 -0.000 0.961) 1.055 13.963 ( 0.744 0.000 -1.420) 1.603 ======================= Grid point 123 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -11.852 -3.168 5.547) 13.464 1.060 ( -19.322 4.975 5.224) 20.625 1.368 ( -3.091 -3.614 -0.816) 4.825 1.393 ( -3.282 0.003 -0.628) 3.341 1.468 ( -0.665 0.395 -0.671) 1.024 1.604 ( -3.554 -2.599 2.829) 5.234 1.755 ( -5.560 1.349 -0.392) 5.735 1.925 ( -5.846 3.488 3.162) 7.506 2.006 ( -3.746 6.915 1.746) 8.056 2.085 ( 0.589 -0.132 -4.005) 4.050 2.407 ( -10.886 0.512 -1.341) 10.981 2.722 ( -9.869 -0.822 4.611) 10.924 2.844 ( -2.383 -7.556 -3.970) 8.862 2.878 ( -7.967 -10.437 0.093) 13.131 3.102 ( -3.880 -0.221 0.863) 3.981 3.326 ( -4.451 5.934 -1.431) 7.555 3.436 ( -5.882 -2.235 -1.713) 6.521 3.552 ( -4.043 -8.053 3.657) 9.725 3.683 ( 1.941 -0.881 2.602) 3.363 4.982 ( 1.363 -1.337 -5.352) 5.682 5.369 ( -3.096 1.616 -4.598) 5.774 6.080 ( 1.191 2.767 -3.397) 4.540 6.746 ( 10.739 0.861 5.624) 12.153 8.083 ( 8.553 2.013 -3.615) 9.501 8.552 ( 6.406 1.922 3.030) 7.343 9.418 ( 3.861 -2.232 7.492) 8.719 9.554 ( -1.303 8.750 -7.977) 11.912 9.813 ( -2.084 -8.131 -2.217) 8.682 10.247 ( -6.770 1.109 2.463) 7.289 10.565 ( -2.521 -0.934 -0.438) 2.724 13.093 ( -0.383 -0.168 0.715) 0.828 13.179 ( -0.455 0.430 2.298) 2.382 13.315 ( 0.453 -0.508 -2.587) 2.675 13.516 ( -1.549 -0.664 -2.025) 2.634 13.923 ( -0.287 0.167 0.749) 0.819 13.972 ( 0.841 -0.065 -1.417) 1.649 ======================= Grid point 131 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -15.502 -0.000 10.428) 18.683 0.811 ( -19.469 -0.000 9.010) 21.453 1.232 ( -9.971 -0.000 -0.337) 9.977 1.269 ( -16.883 -0.000 1.980) 16.999 1.488 ( 2.032 0.000 -0.231) 2.045 1.501 ( -5.731 -0.000 8.809) 10.510 1.670 ( -4.424 -0.000 3.432) 5.599 1.897 ( -7.798 -0.000 2.580) 8.213 2.073 ( -3.005 -0.000 -1.904) 3.558 2.075 ( 3.196 0.000 -1.127) 3.388 2.087 ( -10.894 -0.000 0.202) 10.896 2.587 ( -1.699 -0.000 -0.463) 1.760 2.629 ( -9.207 -0.000 2.405) 9.515 2.917 ( 5.884 0.000 -10.052) 11.647 3.036 ( -4.858 -0.000 1.965) 5.240 3.330 ( -3.851 -0.000 -4.601) 6.000 3.351 ( -5.464 -0.000 -2.073) 5.844 3.373 ( -5.075 -0.000 0.392) 5.090 3.718 ( 1.434 0.000 4.664) 4.880 4.981 ( 1.745 0.000 -4.578) 4.899 5.304 ( -4.287 -0.000 -3.416) 5.482 6.090 ( -0.799 -0.000 -4.312) 4.385 6.930 ( 9.191 0.000 5.743) 10.838 8.220 ( 7.780 0.000 -4.394) 8.935 8.663 ( 3.901 0.000 4.641) 6.063 9.479 ( 3.642 0.000 6.409) 7.371 9.628 ( 1.000 0.000 -11.101) 11.146 9.685 ( -1.486 -0.000 0.122) 1.491 10.149 ( -7.044 -0.000 3.111) 7.701 10.508 ( -3.526 -0.000 -0.667) 3.588 13.091 ( -0.082 -0.000 0.887) 0.891 13.183 ( -0.272 -0.000 2.541) 2.556 13.315 ( 0.889 0.000 -2.297) 2.463 13.479 ( -1.490 -0.000 -1.656) 2.228 13.921 ( -0.342 -0.000 0.458) 0.572 13.982 ( 0.878 0.000 -1.466) 1.709 ======================= Grid point 132 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -2.258 -0.000 15.441) 15.605 0.819 ( -9.887 -0.000 17.770) 20.336 1.050 ( 5.444 0.000 2.742) 6.096 1.276 ( -0.150 -0.000 15.640) 15.640 1.516 ( -0.258 -0.000 -0.297) 0.394 1.540 ( -0.560 -0.000 0.909) 1.068 1.686 ( -1.421 -0.000 4.893) 5.096 1.750 ( -4.219 -0.000 4.374) 6.078 1.995 ( -1.928 -0.000 0.376) 1.964 2.186 ( 6.822 0.000 -4.303) 8.066 2.208 ( 1.965 0.000 5.585) 5.921 2.275 ( -4.729 -0.000 -3.368) 5.806 2.671 ( 1.681 0.000 0.697) 1.820 2.812 ( 5.266 0.000 -9.204) 10.603 2.933 ( -3.102 -0.000 0.085) 3.103 3.032 ( 4.195 0.000 -3.088) 5.209 3.258 ( -1.926 -0.000 0.360) 1.959 3.308 ( 2.988 0.000 -1.152) 3.202 3.917 ( -2.092 -0.000 12.666) 12.838 4.850 ( 2.120 0.000 -11.451) 11.646 5.439 ( 5.980 0.000 3.720) 7.043 5.819 ( -4.018 -0.000 -9.754) 10.549 7.316 ( 0.651 0.000 11.553) 11.571 8.100 ( -0.987 -0.000 -12.498) 12.537 8.810 ( -2.187 -0.000 5.385) 5.812 9.278 ( -3.333 -0.000 -9.602) 10.164 9.672 ( 0.027 0.000 2.406) 2.406 9.746 ( 4.295 0.000 0.469) 4.321 10.127 ( -0.428 -0.000 5.476) 5.493 10.385 ( -0.524 -0.000 -2.586) 2.639 13.127 ( -0.182 -0.000 2.169) 2.176 13.253 ( -0.758 -0.000 2.194) 2.321 13.292 ( 1.014 0.000 -2.625) 2.814 13.414 ( 0.853 0.000 -2.396) 2.544 13.905 ( -0.770 -0.000 -0.054) 0.772 13.965 ( 0.855 0.000 -1.777) 1.972 ======================= Grid point 133 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.054 -8.045 14.133) 16.263 0.889 ( 12.740 -4.556 7.574) 15.505 1.190 ( 10.396 0.230 2.999) 10.823 1.312 ( -3.611 -2.466 9.985) 10.901 1.491 ( -0.835 1.612 0.676) 1.938 1.598 ( 2.294 -4.130 0.456) 4.746 1.696 ( -3.334 0.001 3.551) 4.871 1.780 ( 5.704 -1.843 6.002) 8.483 2.018 ( -0.322 -7.657 -1.739) 7.858 2.180 ( -1.321 1.517 2.704) 3.370 2.214 ( -0.613 -1.468 -1.739) 2.357 2.349 ( 7.292 -5.003 0.140) 8.844 2.646 ( 0.795 4.699 -0.530) 4.795 2.925 ( 1.434 -1.779 -0.484) 2.335 2.959 ( 6.193 -8.126 -6.142) 11.921 3.121 ( 6.890 1.688 -2.386) 7.484 3.321 ( 1.352 -5.901 -1.357) 6.204 3.383 ( 5.117 -3.699 -2.175) 6.678 3.900 ( -3.153 1.762 14.143) 14.597 4.855 ( 1.817 -1.519 -11.822) 12.057 5.523 ( 4.822 2.089 3.542) 6.338 5.725 ( -3.123 0.476 -10.636) 11.095 7.306 ( -4.106 2.680 11.673) 12.660 7.992 ( -4.108 3.678 -12.485) 13.648 8.751 ( -2.921 4.681 6.638) 8.632 9.192 ( -4.823 -1.348 -8.124) 9.544 9.672 ( 0.513 2.064 2.552) 3.322 9.851 ( 6.310 -2.995 -1.765) 7.204 10.171 ( 0.985 -2.480 5.944) 6.516 10.390 ( 1.387 -0.846 -2.916) 3.338 13.131 ( -0.226 -0.072 2.222) 2.234 13.236 ( -1.138 0.744 2.111) 2.511 13.301 ( 0.721 -0.400 -2.738) 2.860 13.434 ( 1.583 -0.944 -2.400) 3.026 13.895 ( -0.556 -0.158 -0.139) 0.595 13.972 ( 0.691 0.161 -1.466) 1.629 ======================= Grid point 134 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.653 -7.880 12.308) 15.064 1.185 ( 14.126 -3.037 -1.493) 14.525 1.292 ( -3.018 -0.820 4.783) 5.715 1.367 ( 10.065 -0.493 1.786) 10.234 1.464 ( -0.042 1.563 2.384) 2.851 1.661 ( -2.198 -1.246 7.877) 8.272 1.701 ( 1.600 -3.150 -2.203) 4.164 1.828 ( -3.632 -3.453 1.244) 5.163 2.077 ( -2.932 -2.844 1.274) 4.278 2.178 ( 0.537 0.554 -4.098) 4.170 2.304 ( 3.974 -5.085 -1.181) 6.561 2.582 ( 9.271 4.435 -5.481) 11.647 2.672 ( 7.508 -15.882 4.488) 18.131 2.998 ( 3.687 -2.663 -0.382) 4.564 3.151 ( 4.562 -6.896 0.976) 8.325 3.190 ( 6.092 2.027 -1.839) 6.678 3.393 ( 1.164 -2.732 2.146) 3.664 3.518 ( 3.408 -5.166 -4.816) 7.842 3.879 ( -1.311 0.521 13.896) 13.967 4.888 ( 2.300 -3.375 -12.117) 12.787 5.521 ( -0.248 4.848 0.182) 4.858 5.683 ( 1.169 -0.807 -6.333) 6.491 7.186 ( -7.717 5.760 11.780) 15.215 7.830 ( -4.244 4.197 -12.247) 13.624 8.647 ( -2.190 6.519 6.394) 9.390 9.128 ( -4.872 -3.565 -7.570) 9.682 9.655 ( 1.042 3.094 2.963) 4.409 9.983 ( 5.423 -2.749 -2.464) 6.560 10.240 ( 0.528 -3.017 5.807) 6.565 10.433 ( 3.057 -1.484 -3.115) 4.610 13.134 ( -0.254 0.009 2.109) 2.124 13.217 ( -0.958 0.458 2.340) 2.570 13.308 ( 0.425 -0.433 -2.739) 2.805 13.468 ( 1.903 -0.888 -2.885) 3.568 13.893 ( -0.263 -0.502 -0.014) 0.567 13.973 ( 0.457 0.439 -1.114) 1.281 ======================= Grid point 135 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.476 -4.926 10.822) 11.900 1.238 ( -0.291 2.555 3.492) 4.337 1.396 ( 4.677 -2.006 0.047) 5.089 1.448 ( 1.381 1.004 0.911) 1.936 1.513 ( 6.852 0.932 -0.835) 6.965 1.681 ( 0.092 -1.832 5.222) 5.535 1.729 ( 0.644 0.964 0.635) 1.322 1.838 ( -4.196 -6.891 0.254) 8.072 2.063 ( -3.368 -1.817 1.684) 4.181 2.148 ( -0.887 1.766 -2.488) 3.177 2.383 ( -1.194 -5.042 -2.477) 5.743 2.620 ( 7.548 4.240 -3.891) 9.492 3.046 ( 8.834 -7.520 -4.037) 12.284 3.092 ( 2.937 -2.968 -0.129) 4.178 3.199 ( -2.701 2.310 6.543) 7.446 3.303 ( 6.767 -3.953 0.879) 7.887 3.471 ( 3.211 -3.098 2.247) 4.995 3.610 ( 2.187 -4.966 -4.111) 6.807 3.951 ( 3.321 -3.530 10.198) 11.291 4.919 ( 0.762 -0.665 -12.070) 12.112 5.426 ( -2.152 3.965 -0.651) 4.558 5.714 ( 2.159 -1.212 -3.458) 4.253 7.001 ( -8.221 6.684 12.156) 16.125 7.706 ( -1.304 1.176 -12.213) 12.339 8.561 ( -0.274 5.156 6.245) 8.103 9.095 ( -4.408 -5.345 -7.828) 10.453 9.638 ( 1.403 3.390 3.415) 5.012 10.062 ( 3.019 -0.060 -2.119) 3.689 10.295 ( -0.879 -2.493 5.540) 6.139 10.499 ( 3.472 -1.652 -3.357) 5.104 13.134 ( -0.270 0.206 1.743) 1.776 13.208 ( -0.673 0.030 2.623) 2.708 13.309 ( 0.086 -0.121 -2.608) 2.612 13.495 ( 1.708 -0.181 -3.345) 3.760 13.901 ( 0.011 -0.834 0.219) 0.862 13.968 ( 0.276 0.677 -0.929) 1.182 ======================= Grid point 136 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -4.195 -1.676 5.144) 6.846 1.246 ( -0.721 2.438 10.761) 11.057 1.402 ( -2.151 0.602 3.813) 4.419 1.472 ( -0.584 -0.657 -2.876) 3.008 1.546 ( -0.171 1.840 -1.656) 2.481 1.707 ( -1.922 -2.772 0.141) 3.376 1.750 ( 3.394 2.114 3.060) 5.035 1.867 ( -1.434 -3.021 1.145) 3.535 2.030 ( -2.775 0.415 1.916) 3.398 2.101 ( -0.780 1.871 -1.362) 2.442 2.410 ( -3.108 -4.601 -1.998) 5.901 2.655 ( 6.154 4.972 -5.076) 9.400 3.061 ( -4.761 4.384 3.152) 7.199 3.139 ( 1.096 1.498 0.820) 2.029 3.168 ( 0.348 -0.625 1.566) 1.722 3.429 ( 1.461 -1.716 -0.889) 2.423 3.561 ( 2.816 -0.915 0.542) 3.010 3.688 ( 0.776 -2.610 -1.726) 3.224 4.091 ( 2.460 -1.632 6.815) 7.427 4.832 ( -1.909 4.171 -11.244) 12.144 5.368 ( -1.076 1.589 0.357) 1.952 5.770 ( 2.089 -4.099 -4.083) 6.151 6.859 ( -3.779 3.794 12.133) 13.262 7.703 ( 3.039 -3.686 -11.792) 12.723 8.541 ( 1.778 2.029 6.550) 7.083 9.093 ( -3.581 -6.868 -8.588) 11.565 9.626 ( 1.804 3.416 3.815) 5.429 10.070 ( 1.632 3.303 -1.508) 3.981 10.303 ( -3.622 -1.497 4.751) 6.159 10.554 ( 2.102 -0.880 -3.101) 3.848 13.131 ( -0.181 0.398 1.551) 1.612 13.210 ( -0.441 -0.324 2.792) 2.845 13.299 ( -0.208 0.333 -2.354) 2.386 13.504 ( 1.145 0.683 -3.597) 3.836 13.915 ( 0.054 -0.838 0.412) 0.935 13.959 ( 0.278 0.726 -1.015) 1.279 ======================= Grid point 137 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -7.954 -0.027 7.538) 10.958 1.216 ( -1.550 4.004 10.599) 11.435 1.376 ( -2.270 -0.574 2.685) 3.563 1.417 ( -5.322 -0.150 -0.716) 5.372 1.455 ( -6.543 2.212 -1.541) 7.076 1.703 ( -0.126 1.537 -1.798) 2.369 1.761 ( -1.116 -0.388 4.238) 4.400 1.893 ( 1.520 -0.660 0.921) 1.895 1.974 ( -2.821 2.484 2.086) 4.299 2.072 ( 1.028 1.911 -1.150) 2.456 2.393 ( -3.507 -0.684 -1.323) 3.810 2.636 ( 0.454 2.999 -5.139) 5.967 2.947 ( -1.441 4.849 2.011) 5.444 3.109 ( -0.991 2.362 0.407) 2.594 3.160 ( -2.805 0.440 -1.374) 3.154 3.385 ( -4.539 5.362 1.279) 7.141 3.524 ( -3.758 5.864 -1.850) 7.207 3.705 ( 0.418 0.184 -1.869) 1.924 3.991 ( -8.397 9.613 12.818) 18.089 4.793 ( 3.470 -1.160 -12.820) 13.332 5.333 ( -0.821 1.260 0.665) 1.644 5.856 ( 1.122 -5.604 -5.309) 7.800 6.877 ( 3.642 -1.558 11.352) 12.024 7.815 ( 5.493 -6.595 -10.897) 13.871 8.594 ( 2.769 -1.364 6.772) 7.443 9.129 ( -1.878 -8.374 -9.483) 12.790 9.625 ( 2.590 3.153 4.103) 5.787 10.009 ( -0.382 6.819 -0.675) 6.863 10.262 ( -4.935 -1.026 3.634) 6.214 10.560 ( -0.537 0.683 -2.688) 2.825 13.128 ( -0.054 0.489 1.711) 1.780 13.218 ( -0.412 -0.606 3.096) 3.181 13.283 ( -0.036 0.568 -2.289) 2.359 13.491 ( 0.464 1.430 -3.681) 3.976 13.925 ( -0.199 -0.547 0.482) 0.756 13.952 ( 0.468 0.550 -1.306) 1.492 ======================= Grid point 138 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.025 1.961 10.532) 14.007 1.084 ( -11.368 5.379 12.911) 18.024 1.279 ( -9.788 2.499 1.654) 10.237 1.320 ( -1.725 3.015 -0.223) 3.481 1.427 ( 0.885 -3.459 -0.207) 3.576 1.654 ( -0.336 3.890 -1.168) 4.075 1.765 ( -2.430 -2.008 4.893) 5.820 1.895 ( -3.535 2.024 4.975) 6.430 1.947 ( 2.935 -1.608 0.433) 3.374 2.067 ( 1.812 1.932 -2.018) 3.330 2.305 ( -4.063 4.316 -1.455) 6.103 2.570 ( -4.996 -1.062 -4.514) 6.816 2.886 ( 1.805 7.455 -2.224) 7.987 2.953 ( -10.512 15.576 1.487) 18.850 3.059 ( -3.711 0.046 1.015) 3.848 3.189 ( -6.233 3.270 0.299) 7.045 3.376 ( -3.365 4.709 -1.062) 5.884 3.610 ( -3.688 9.227 -4.910) 11.084 3.863 ( -2.794 0.326 14.871) 15.135 4.829 ( 3.496 -0.500 -12.120) 12.624 5.317 ( 0.114 0.671 2.335) 2.432 5.907 ( -1.138 -4.041 -6.898) 8.075 7.047 ( 7.475 -3.944 10.467) 13.454 7.966 ( 5.428 -6.683 -10.885) 13.879 8.688 ( 1.809 -3.786 6.632) 7.848 9.213 ( 0.641 -8.994 -10.296) 13.686 9.645 ( 3.641 2.478 3.970) 5.929 9.870 ( -3.389 8.307 0.381) 8.980 10.209 ( -3.890 0.061 3.004) 4.916 10.506 ( -2.812 1.879 -2.455) 4.179 13.126 ( -0.052 0.457 1.946) 2.000 13.230 ( -0.659 -0.872 3.695) 3.853 13.275 ( 0.899 0.396 -2.585) 2.765 13.461 ( -0.055 1.841 -3.511) 3.965 13.926 ( -0.563 -0.239 0.403) 0.732 13.952 ( 0.717 0.274 -1.654) 1.823 ======================= Grid point 139 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -12.544 3.725 13.632) 18.896 0.915 ( -7.015 0.837 17.202) 18.596 1.094 ( -8.491 2.739 0.795) 8.957 1.272 ( 0.563 4.074 6.161) 7.408 1.490 ( 1.293 -2.430 -0.460) 2.791 1.586 ( -1.051 3.783 0.957) 4.041 1.761 ( -4.223 -2.101 2.883) 5.528 1.812 ( -8.490 0.582 8.682) 12.158 2.029 ( 1.764 0.869 0.068) 1.967 2.072 ( 5.057 -0.643 1.736) 5.385 2.175 ( 0.835 6.179 -0.779) 6.284 2.431 ( -9.711 4.244 -3.208) 11.073 2.648 ( -2.177 2.115 1.665) 3.462 2.838 ( 3.783 7.728 -6.537) 10.806 2.998 ( -4.967 -0.215 1.481) 5.187 3.077 ( -5.054 1.128 -2.887) 5.928 3.296 ( 0.330 2.406 -1.146) 2.686 3.387 ( -4.592 9.614 -2.057) 10.851 3.892 ( -1.087 -1.470 12.322) 12.457 4.846 ( 2.907 0.167 -11.368) 11.735 5.346 ( 3.289 -0.101 4.372) 5.472 5.891 ( -3.156 -1.786 -8.389) 9.139 7.225 ( 5.198 -1.995 10.629) 11.999 8.084 ( 3.266 -4.480 -11.901) 13.129 8.779 ( -0.006 -4.117 5.663) 7.001 9.303 ( 0.513 -5.118 -11.054) 12.192 9.690 ( 4.093 1.526 2.847) 5.213 9.715 ( -3.316 4.767 1.785) 6.075 10.155 ( -2.744 1.537 3.885) 4.999 10.427 ( -2.741 1.421 -2.332) 3.870 13.125 ( -0.127 0.240 2.087) 2.105 13.245 ( -0.441 -0.986 3.213) 3.390 13.282 ( 1.337 0.169 -2.462) 2.807 13.426 ( 0.018 1.444 -3.009) 3.338 13.918 ( -0.797 -0.037 0.184) 0.819 13.957 ( 0.875 0.046 -1.857) 2.054 ======================= Grid point 141 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 11.550 0.000 9.568) 14.998 1.111 ( 15.296 0.000 5.432) 16.232 1.300 ( 0.034 0.000 5.958) 5.958 1.354 ( 8.742 0.000 2.139) 9.000 1.486 ( -0.718 -0.000 0.294) 0.776 1.619 ( 3.419 0.000 0.467) 3.451 1.659 ( -2.525 -0.000 2.965) 3.894 1.907 ( -1.470 -0.000 -1.398) 2.029 1.940 ( 6.442 0.000 3.278) 7.228 2.183 ( 0.266 0.000 -4.441) 4.449 2.241 ( 8.018 0.000 9.611) 12.517 2.382 ( 2.347 0.000 0.058) 2.347 2.764 ( 6.117 0.000 1.036) 6.204 2.954 ( 6.415 0.000 -7.975) 10.235 2.962 ( 4.767 0.000 -0.437) 4.787 3.272 ( 7.366 0.000 -1.497) 7.516 3.325 ( 5.894 0.000 -0.991) 5.977 3.425 ( 4.275 0.000 -3.297) 5.399 3.901 ( -3.448 -0.000 15.286) 15.670 4.831 ( 1.365 0.000 -11.552) 11.633 5.619 ( 3.655 0.000 3.669) 5.178 5.648 ( -2.462 -0.000 -12.011) 12.261 7.267 ( -7.933 -0.000 12.920) 15.161 7.893 ( -6.571 -0.000 -13.015) 14.580 8.750 ( -4.127 -0.000 7.431) 8.500 9.060 ( -6.764 -0.000 -6.392) 9.307 9.714 ( 1.326 0.000 1.107) 1.727 9.936 ( 8.216 0.000 -4.048) 9.159 10.193 ( 1.274 0.000 7.235) 7.347 10.411 ( 3.087 0.000 -2.939) 4.263 13.135 ( -0.081 -0.000 2.229) 2.231 13.227 ( -1.325 -0.000 2.172) 2.544 13.299 ( 0.580 0.000 -3.093) 3.147 13.454 ( 2.503 0.000 -2.251) 3.366 13.886 ( -0.352 -0.000 -0.234) 0.422 13.979 ( 0.568 0.000 -1.135) 1.269 ======================= Grid point 142 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 11.433 0.540 5.550) 12.720 1.293 ( 1.307 -0.772 4.702) 4.941 1.350 ( 8.593 0.524 -1.254) 8.700 1.463 ( 1.335 -0.619 2.163) 2.617 1.502 ( 4.214 -0.920 1.133) 4.460 1.640 ( -1.309 -0.381 4.718) 4.911 1.698 ( 4.022 -2.442 -0.429) 4.725 1.850 ( 2.961 6.560 0.401) 7.208 2.018 ( 0.582 -2.149 0.112) 2.229 2.176 ( 0.432 0.198 -4.247) 4.274 2.339 ( 2.036 2.818 -0.158) 3.481 2.640 ( 14.967 -14.841 3.603) 21.383 2.810 ( 9.729 7.898 -1.372) 12.606 3.050 ( 5.463 -0.706 -0.262) 5.515 3.114 ( 4.754 -7.731 0.494) 9.090 3.355 ( 7.724 3.959 -1.559) 8.819 3.411 ( 4.055 -0.750 1.015) 4.247 3.498 ( 2.344 -3.237 -3.242) 5.146 3.902 ( -1.041 -0.289 14.772) 14.812 4.847 ( 2.809 -2.591 -11.627) 12.239 5.551 ( -1.930 3.930 -8.142) 9.245 5.684 ( 1.616 -1.440 0.441) 2.209 7.138 ( -10.616 2.794 13.508) 17.406 7.740 ( -6.432 0.835 -13.300) 14.797 8.674 ( -5.468 2.524 7.608) 9.703 8.964 ( -6.052 -3.177 -6.412) 9.372 9.725 ( 1.921 2.090 0.749) 2.936 10.054 ( 7.437 -0.278 -4.280) 8.585 10.239 ( 0.508 -1.275 7.277) 7.405 10.463 ( 3.752 -0.741 -2.812) 4.747 13.140 ( 0.040 0.144 1.944) 1.950 13.214 ( -0.928 0.217 2.538) 2.711 13.301 ( 0.450 -0.282 -3.138) 3.182 13.491 ( 2.793 -0.103 -2.745) 3.917 13.885 ( -0.009 -0.307 -0.137) 0.337 13.982 ( 0.320 0.279 -0.803) 0.908 ======================= Grid point 143 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.468 3.100 3.596) 4.771 1.340 ( 2.939 1.586 1.482) 3.654 1.425 ( 1.389 -0.250 -0.349) 1.454 1.476 ( 0.193 0.126 3.603) 3.610 1.569 ( 3.190 1.483 0.172) 3.522 1.650 ( -0.448 -0.382 3.360) 3.411 1.775 ( 1.182 -1.851 0.260) 2.212 1.847 ( 6.001 4.263 2.710) 7.844 2.064 ( 5.047 1.271 -1.047) 5.309 2.160 ( 0.886 2.121 -2.174) 3.164 2.324 ( -0.654 -0.422 -2.376) 2.500 2.832 ( 8.990 7.436 -0.718) 11.689 3.047 ( 8.004 -7.856 -2.444) 11.478 3.141 ( 5.192 -1.430 -0.667) 5.427 3.213 ( -1.041 1.459 6.614) 6.852 3.401 ( 6.106 1.053 -0.899) 6.261 3.516 ( 5.790 -1.609 1.460) 6.184 3.563 ( 1.852 -4.043 -2.553) 5.128 3.989 ( 4.161 -3.382 10.853) 12.106 4.898 ( 2.898 -1.092 -11.910) 12.306 5.434 ( -2.784 4.135 -3.661) 6.185 5.713 ( 0.069 -1.079 -1.625) 1.952 6.963 ( -10.233 3.330 13.663) 17.393 7.624 ( -3.545 -1.829 -13.163) 13.754 8.583 ( -5.226 0.922 7.677) 9.333 8.919 ( -4.777 -5.177 -7.134) 10.025 9.726 ( 2.736 3.321 1.064) 4.432 10.136 ( 5.607 1.502 -3.333) 6.694 10.271 ( -1.548 -0.875 6.541) 6.778 10.524 ( 3.138 -1.083 -2.814) 4.352 13.143 ( 0.172 0.389 1.474) 1.535 13.208 ( -0.545 0.123 3.009) 3.060 13.301 ( 0.267 -0.130 -3.050) 3.064 13.521 ( 2.328 0.458 -3.330) 4.089 13.894 ( 0.384 -0.586 0.055) 0.703 13.977 ( 0.101 0.512 -0.662) 0.843 ======================= Grid point 144 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.804 2.505 4.431) 5.153 1.306 ( -2.790 2.307 0.810) 3.710 1.397 ( -5.295 0.133 0.384) 5.311 1.467 ( -2.647 0.478 0.503) 2.736 1.561 ( 6.231 10.405 3.002) 12.495 1.674 ( 1.087 -1.863 1.659) 2.721 1.793 ( -0.664 0.156 1.596) 1.735 1.890 ( 2.979 1.395 0.978) 3.432 2.115 ( 6.678 5.432 -0.603) 8.629 2.142 ( 2.367 3.527 -0.094) 4.249 2.322 ( -1.113 -2.414 -2.692) 3.783 2.830 ( 3.718 8.722 -0.177) 9.484 3.069 ( -2.192 3.866 1.648) 4.740 3.174 ( 0.843 2.068 -0.852) 2.391 3.218 ( 2.228 2.034 2.771) 4.096 3.468 ( 3.052 1.930 -0.093) 3.612 3.623 ( 5.218 0.412 -0.277) 5.242 3.633 ( -0.873 -4.210 -1.008) 4.417 4.135 ( 3.019 -0.731 7.557) 8.171 4.847 ( 0.125 4.970 -11.715) 12.727 5.367 ( -0.982 0.860 -0.028) 1.305 5.723 ( -0.470 -3.033 -4.019) 5.057 6.850 ( -5.228 -0.223 13.024) 14.036 7.622 ( 0.434 -6.520 -12.386) 14.003 8.543 ( -4.125 -2.404 8.159) 9.454 8.917 ( -2.835 -6.538 -8.356) 10.982 9.728 ( 3.592 3.981 1.581) 5.590 10.167 ( 4.131 4.326 -2.912) 6.653 10.245 ( -4.328 -0.106 6.104) 7.484 10.563 ( 1.248 -0.434 -2.661) 2.971 13.144 ( 0.278 0.595 1.325) 1.479 13.210 ( -0.415 -0.050 3.414) 3.439 13.294 ( 0.195 0.251 -2.994) 3.011 13.529 ( 1.525 1.188 -3.760) 4.227 13.909 ( 0.428 -0.517 0.207) 0.703 13.968 ( 0.060 0.553 -0.785) 0.962 ======================= Grid point 145 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -2.722 4.788 4.067) 6.847 1.222 ( -6.088 3.723 2.736) 7.642 1.292 ( -6.060 -1.326 2.675) 6.756 1.390 ( -3.834 1.581 -1.665) 4.469 1.516 ( 5.996 10.792 2.815) 12.662 1.720 ( 2.122 -0.030 1.198) 2.437 1.765 ( -1.050 2.418 2.206) 3.437 1.913 ( 2.089 0.423 -0.493) 2.188 2.095 ( 3.709 8.956 1.913) 9.881 2.138 ( 3.336 3.849 -0.681) 5.138 2.333 ( -0.992 -1.845 -1.988) 2.888 2.690 ( -3.871 9.334 -0.057) 10.105 3.018 ( 1.486 3.405 0.291) 3.726 3.131 ( -1.664 3.322 -1.196) 3.903 3.200 ( 2.296 5.884 0.744) 6.360 3.428 ( -1.495 6.844 1.062) 7.086 3.548 ( -4.852 6.718 -2.052) 8.537 3.703 ( 1.885 -1.338 -0.870) 2.470 4.026 ( -9.410 10.292 13.323) 19.287 4.818 ( 5.491 0.444 -13.272) 14.370 5.346 ( -0.219 1.205 1.338) 1.814 5.765 ( -0.618 -5.552 -5.941) 8.155 6.901 ( 1.600 -5.754 11.492) 12.951 7.728 ( 2.416 -9.634 -11.342) 15.076 8.563 ( -3.466 -5.296 8.499) 10.597 8.970 ( 0.357 -7.927 -9.509) 12.385 9.739 ( 4.501 4.085 2.017) 6.404 10.084 ( -4.128 6.568 0.715) 7.790 10.223 ( 0.490 1.072 2.403) 2.677 10.551 ( -1.252 1.124 -2.420) 2.948 13.143 ( 0.187 0.702 1.539) 1.702 13.214 ( -0.663 -0.235 3.842) 3.906 13.286 ( 0.683 0.407 -3.054) 3.156 13.515 ( 0.790 1.854 -3.999) 4.478 13.919 ( 0.035 -0.189 0.287) 0.345 13.961 ( 0.213 0.379 -1.098) 1.181 ======================= Grid point 146 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -6.518 5.839 4.624) 9.898 1.042 ( -3.436 7.989 7.853) 11.717 1.197 ( -6.112 3.571 1.066) 7.159 1.383 ( 0.436 -3.856 0.584) 3.924 1.469 ( 4.565 8.823 1.851) 10.105 1.713 ( 0.597 4.130 -0.479) 4.200 1.745 ( 0.327 1.081 4.118) 4.270 1.920 ( 0.400 4.292 -0.317) 4.323 2.041 ( 3.819 5.158 4.666) 7.935 2.133 ( 3.062 3.544 -0.869) 4.764 2.310 ( -0.983 2.083 -3.280) 4.008 2.508 ( -4.918 5.403 -2.196) 7.629 2.959 ( -4.902 9.949 1.658) 11.215 3.023 ( -2.191 4.447 1.032) 5.064 3.112 ( 0.097 11.373 -1.127) 11.429 3.205 ( -3.874 8.865 0.173) 9.676 3.407 ( -1.228 5.049 0.199) 5.200 3.662 ( -2.398 7.541 -5.936) 9.892 3.854 ( -4.813 0.613 17.035) 17.713 4.860 ( 5.128 0.942 -13.023) 14.028 5.348 ( 1.395 0.318 3.485) 3.767 5.799 ( -1.934 -4.615 -7.683) 9.169 7.085 ( 3.881 -7.987 10.079) 13.433 7.871 ( 2.008 -9.995 -11.328) 15.240 8.619 ( -3.486 -6.852 8.049) 11.130 9.092 ( 3.553 -8.670 -9.946) 13.664 9.765 ( 4.792 3.690 2.023) 6.377 9.900 ( -6.794 7.149 1.754) 10.018 10.219 ( 1.350 2.857 2.036) 3.759 10.486 ( -2.660 2.376 -2.253) 4.219 13.138 ( -0.138 0.671 1.838) 1.961 13.219 ( -0.774 -0.586 3.736) 3.860 13.289 ( 1.305 0.270 -2.768) 3.072 13.482 ( 0.358 2.280 -3.870) 4.506 13.917 ( -0.420 0.082 0.251) 0.496 13.959 ( 0.450 0.103 -1.433) 1.506 ======================= Grid point 147 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.511 7.643 7.420) 10.664 0.964 ( -1.121 7.759 14.118) 16.149 1.084 ( 1.620 3.129 -0.611) 3.576 1.407 ( -0.727 6.244 3.103) 7.011 1.453 ( 0.654 -3.175 2.207) 3.922 1.655 ( 0.320 5.708 1.082) 5.818 1.733 ( -1.595 0.926 5.160) 5.479 1.802 ( -1.136 8.628 4.258) 9.688 2.084 ( 2.560 1.879 -0.617) 3.235 2.143 ( 3.046 0.874 3.491) 4.715 2.266 ( 3.218 4.019 -5.978) 7.889 2.363 ( -4.422 4.175 -2.190) 6.464 2.681 ( -4.200 8.984 5.253) 11.223 2.963 ( -1.330 2.810 0.538) 3.154 2.990 ( 2.529 7.102 -2.546) 7.957 3.108 ( 1.699 5.726 -3.246) 6.798 3.356 ( 1.728 3.199 0.241) 3.644 3.471 ( -1.489 10.643 -4.334) 11.587 3.872 ( -2.539 -2.504 13.835) 14.288 4.872 ( 3.445 1.607 -12.316) 12.889 5.411 ( 4.091 -1.475 4.557) 6.299 5.784 ( -3.056 -2.439 -9.232) 10.026 7.248 ( 0.378 -5.617 10.138) 11.596 7.981 ( -0.296 -7.925 -12.052) 14.427 8.689 ( -2.961 -7.205 6.971) 10.453 9.221 ( 2.236 -5.160 -10.182) 11.632 9.706 ( -5.733 3.443 2.958) 7.312 9.812 ( 5.524 4.125 0.954) 6.960 10.194 ( 0.608 3.962 3.698) 5.454 10.414 ( -1.140 1.963 -2.493) 3.372 13.132 ( -0.316 0.385 2.075) 2.133 13.229 ( -0.666 -1.037 2.880) 3.132 13.299 ( 1.185 0.286 -2.449) 2.736 13.447 ( 0.577 2.044 -3.236) 3.871 13.907 ( -0.621 0.187 0.075) 0.653 13.964 ( 0.639 -0.117 -1.593) 1.720 ======================= Grid point 150 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.717 -0.000 2.224) 2.810 1.324 ( 6.553 0.000 0.094) 6.554 1.439 ( 2.486 0.000 -1.469) 2.888 1.455 ( -1.317 -0.000 1.303) 1.852 1.606 ( 9.361 0.000 2.734) 9.752 1.633 ( -0.713 -0.000 2.478) 2.579 1.735 ( 1.543 0.000 3.301) 3.644 1.970 ( 4.222 0.000 -5.527) 6.955 2.075 ( 8.510 0.000 0.319) 8.516 2.195 ( 3.791 0.000 -5.571) 6.739 2.395 ( 1.039 0.000 1.413) 1.754 2.799 ( 17.868 0.000 1.494) 17.931 3.051 ( 8.942 0.000 3.812) 9.721 3.095 ( 3.751 0.000 -0.848) 3.845 3.135 ( 5.146 0.000 1.088) 5.260 3.450 ( -1.955 -0.000 -2.282) 3.005 3.499 ( 8.166 0.000 0.600) 8.188 3.516 ( 5.149 0.000 0.210) 5.154 3.942 ( 2.038 0.000 14.162) 14.308 4.856 ( 5.251 0.000 -11.502) 12.644 5.530 ( -1.068 -0.000 -11.688) 11.737 5.680 ( -1.626 -0.000 3.741) 4.079 7.016 ( -12.453 -0.000 14.761) 19.312 7.600 ( -6.384 -0.000 -14.164) 15.536 8.597 ( -8.935 -0.000 8.872) 12.591 8.839 ( -4.320 -0.000 -7.449) 8.611 9.778 ( 3.033 0.000 -0.038) 3.034 10.156 ( 6.492 0.000 -3.242) 7.256 10.257 ( 0.186 0.000 6.453) 6.456 10.507 ( 3.253 0.000 -2.409) 4.048 13.149 ( 0.291 0.000 1.470) 1.499 13.211 ( -0.635 -0.000 3.116) 3.180 13.297 ( 0.570 0.000 -3.333) 3.381 13.527 ( 2.807 0.000 -3.237) 4.284 13.886 ( 0.499 0.000 -0.120) 0.513 13.985 ( 0.030 0.000 -0.520) 0.521 ======================= Grid point 151 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -3.282 1.189 2.091) 4.069 1.356 ( -1.577 1.356 0.802) 2.229 1.431 ( -0.095 1.634 -0.629) 1.753 1.453 ( -1.185 -0.734 -1.584) 2.110 1.623 ( -2.058 -1.486 2.859) 3.823 1.753 ( 7.758 1.950 1.299) 8.104 1.774 ( 2.923 -0.578 2.277) 3.750 1.978 ( 2.214 2.466 -4.355) 5.472 2.214 ( 9.770 2.100 -0.412) 10.002 2.244 ( 4.590 0.578 -5.115) 6.897 2.388 ( 5.988 8.647 2.210) 10.748 3.047 ( 5.412 4.148 2.384) 7.223 3.095 ( 7.386 -0.463 -2.088) 7.690 3.185 ( 3.702 -1.816 1.579) 4.415 3.243 ( 1.522 -0.150 4.286) 4.551 3.420 ( -0.892 -4.002 -0.451) 4.125 3.572 ( 3.308 1.411 0.287) 3.608 3.632 ( 8.032 -0.073 -0.179) 8.035 4.069 ( 7.725 -1.979 10.359) 13.073 4.924 ( 5.884 0.031 -11.428) 12.854 5.442 ( -1.972 4.399 -6.492) 8.086 5.661 ( -3.724 -2.380 0.241) 4.426 6.859 ( -11.644 0.520 15.000) 18.996 7.491 ( -3.756 -2.546 -14.045) 14.760 8.482 ( -9.495 -1.441 9.188) 13.291 8.785 ( -2.196 -2.672 -8.563) 9.235 9.819 ( 3.954 2.050 0.453) 4.476 10.221 ( 1.644 0.152 3.246) 3.642 10.273 ( 1.592 1.395 0.186) 2.124 10.546 ( 2.002 -0.553 -2.330) 3.121 13.157 ( 0.459 0.275 0.996) 1.131 13.212 ( -0.419 0.112 3.636) 3.662 13.297 ( 0.564 0.008 -3.329) 3.376 13.553 ( 2.015 0.447 -3.825) 4.347 13.899 ( 1.000 -0.202 -0.056) 1.022 13.980 ( -0.222 0.230 -0.420) 0.528 ======================= Grid point 152 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.610 -0.033 2.816) 3.840 1.273 ( -4.388 3.117 0.417) 5.398 1.378 ( -1.659 4.284 1.165) 4.740 1.419 ( -2.447 0.560 -2.239) 3.363 1.628 ( -2.516 -2.646 2.973) 4.709 1.787 ( 2.375 2.070 -0.299) 3.165 1.837 ( 4.622 3.104 -1.786) 5.847 1.972 ( 2.849 2.215 -2.293) 4.276 2.284 ( 2.740 0.499 -1.414) 3.124 2.298 ( 6.539 4.218 0.274) 7.786 2.369 ( 10.065 12.941 1.327) 16.448 2.972 ( -2.752 9.323 3.534) 10.343 3.116 ( 1.258 3.421 0.193) 3.650 3.212 ( -0.359 2.661 -0.080) 2.686 3.285 ( 3.668 -0.090 2.458) 4.416 3.508 ( -0.145 -4.924 1.381) 5.116 3.588 ( 1.587 2.084 0.096) 2.622 3.724 ( 5.228 1.915 -1.538) 5.776 4.225 ( 4.547 2.563 7.725) 9.323 4.909 ( 2.518 5.541 -11.188) 12.737 5.373 ( 0.264 1.320 -1.022) 1.690 5.637 ( -3.374 -3.790 -4.213) 6.595 6.768 ( -6.975 -3.465 14.050) 16.064 7.487 ( -0.123 -6.867 -12.980) 14.685 8.413 ( -8.140 -4.845 9.264) 13.250 8.795 ( 0.471 -4.562 -9.568) 10.610 9.849 ( 4.549 3.363 1.381) 5.824 10.197 ( -5.340 1.541 6.557) 8.595 10.284 ( 4.741 3.130 -3.108) 6.476 10.564 ( 0.240 -0.175 -2.442) 2.460 13.161 ( 0.388 0.530 0.922) 1.132 13.215 ( -0.443 0.173 3.999) 4.027 13.295 ( 0.613 0.190 -3.306) 3.368 13.555 ( 1.144 1.002 -4.279) 4.541 13.917 ( 0.913 -0.002 0.013) 0.913 13.971 ( -0.284 0.274 -0.549) 0.676 ======================= Grid point 153 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -2.897 4.370 1.429) 5.434 1.183 ( -2.576 0.144 0.657) 2.662 1.288 ( -0.938 5.005 3.444) 6.148 1.358 ( -1.977 1.858 -1.544) 3.122 1.621 ( -1.865 0.136 2.641) 3.236 1.782 ( 0.499 1.596 -0.248) 1.691 1.824 ( 2.309 4.323 -4.730) 6.811 1.992 ( 3.325 1.142 -1.613) 3.868 2.289 ( 3.453 7.640 0.574) 8.404 2.308 ( 1.095 2.425 2.750) 3.826 2.355 ( 10.744 11.966 -0.534) 16.091 2.765 ( -4.950 11.061 0.768) 12.142 3.086 ( 1.005 3.783 0.774) 3.990 3.165 ( -0.302 3.673 -0.445) 3.712 3.311 ( 1.720 3.104 2.454) 4.315 3.500 ( -3.584 4.526 -0.506) 5.796 3.549 ( -0.598 4.713 0.747) 4.809 3.740 ( 1.922 2.123 -1.435) 3.203 4.078 ( -9.222 13.601 13.324) 21.155 4.901 ( 7.421 2.108 -12.856) 14.993 5.363 ( -0.276 0.736 1.501) 1.694 5.655 ( -0.856 -5.465 -7.013) 8.932 6.832 ( -1.463 -9.236 12.149) 15.331 7.585 ( 1.759 -9.710 -11.790) 15.374 8.413 ( -6.433 -7.491 8.842) 13.254 8.876 ( 3.893 -6.461 -9.982) 12.512 9.876 ( 4.451 3.867 2.149) 6.275 10.068 ( -7.056 4.650 4.119) 9.401 10.304 ( 3.815 3.118 -0.723) 4.980 10.539 ( -1.540 1.233 -2.478) 3.168 13.158 ( -0.006 0.700 1.202) 1.391 13.215 ( -0.671 0.220 4.083) 4.143 13.295 ( 0.976 0.130 -3.110) 3.262 13.537 ( 0.557 1.545 -4.557) 4.844 13.924 ( 0.332 0.394 0.140) 0.534 13.962 ( -0.137 0.110 -0.845) 0.863 ======================= Grid point 154 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.096 6.063 2.251) 6.468 1.143 ( 3.063 4.003 -0.112) 5.042 1.225 ( -0.608 5.967 4.134) 7.285 1.343 ( 0.367 -2.193 0.262) 2.239 1.577 ( -1.435 3.814 2.257) 4.658 1.758 ( -1.119 1.634 1.104) 2.267 1.778 ( -0.140 2.617 -4.051) 4.825 2.023 ( 2.969 1.500 -2.867) 4.392 2.196 ( -0.128 8.698 3.698) 9.453 2.285 ( 2.371 6.481 2.950) 7.505 2.362 ( 8.070 7.139 -3.459) 11.316 2.549 ( -3.100 10.196 -2.287) 10.900 3.037 ( -0.381 5.942 1.326) 6.100 3.100 ( 1.378 6.934 0.081) 7.070 3.213 ( -8.095 12.737 1.271) 15.146 3.293 ( -0.463 6.638 1.905) 6.922 3.475 ( -0.004 5.595 2.172) 6.002 3.709 ( -0.831 4.778 -5.429) 7.279 3.853 ( -4.759 4.457 17.040) 18.245 4.938 ( 5.774 2.904 -13.351) 14.833 5.373 ( 0.555 -1.323 3.694) 3.963 5.693 ( -0.310 -3.843 -8.153) 9.018 7.005 ( -0.546 -11.308 10.493) 15.436 7.718 ( 1.456 -9.989 -11.538) 15.330 8.464 ( -4.549 -8.585 7.657) 12.370 9.029 ( 6.293 -7.490 -9.565) 13.682 9.836 ( -6.247 5.187 3.244) 8.744 9.944 ( 2.724 4.804 2.195) 5.943 10.306 ( 2.338 3.803 1.053) 4.587 10.477 ( -1.615 2.302 -2.646) 3.861 13.148 ( -0.484 0.709 1.631) 1.843 13.214 ( -0.649 -0.043 3.577) 3.635 13.303 ( 1.129 0.003 -2.617) 2.850 13.506 ( 0.347 1.947 -4.428) 4.850 13.918 ( -0.179 0.620 0.232) 0.686 13.959 ( 0.124 -0.161 -1.146) 1.164 ======================= Grid point 155 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 8.024 4.698 2.534) 9.637 1.129 ( 1.774 9.193 6.773) 11.555 1.210 ( 9.104 1.810 -0.477) 9.294 1.378 ( -1.924 -1.135 0.977) 2.438 1.474 ( -3.572 4.426 3.513) 6.685 1.700 ( -3.839 1.015 5.966) 7.167 1.738 ( 0.467 2.893 -2.236) 3.686 1.965 ( -0.488 9.168 -0.340) 9.187 2.131 ( -0.119 1.370 1.982) 2.412 2.215 ( -1.792 4.889 1.858) 5.528 2.362 ( 1.997 7.656 -4.697) 9.202 2.439 ( 8.045 2.599 -5.780) 10.241 2.828 ( -0.979 16.938 6.137) 18.042 3.017 ( 1.115 5.215 0.344) 5.344 3.097 ( 3.593 2.630 -1.294) 4.637 3.220 ( 0.937 6.264 1.146) 6.436 3.419 ( 0.028 3.392 2.961) 4.502 3.587 ( 0.783 7.614 -5.574) 9.469 3.849 ( -1.313 -0.680 13.883) 13.961 4.926 ( 3.428 3.264 -12.778) 13.627 5.438 ( 1.662 -3.609 3.840) 5.526 5.699 ( -0.332 -1.288 -8.415) 8.519 7.145 ( -4.028 -8.968 10.424) 14.328 7.819 ( -0.854 -7.978 -11.807) 14.276 8.551 ( -2.323 -8.615 6.454) 11.012 9.175 ( 3.424 -3.761 -9.504) 10.779 9.667 ( -5.905 2.927 4.207) 7.818 9.958 ( 4.815 4.025 0.519) 6.297 10.274 ( 0.344 4.334 3.428) 5.536 10.432 ( 1.099 2.034 -3.105) 3.872 13.137 ( -0.529 0.386 1.978) 2.084 13.216 ( -0.705 -0.423 2.819) 2.937 13.311 ( 0.800 0.164 -2.424) 2.558 13.476 ( 0.798 1.775 -3.724) 4.202 13.906 ( -0.345 0.617 0.164) 0.725 13.964 ( 0.367 -0.387 -1.262) 1.370 ======================= Grid point 159 (79/129) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.111 -0.000 2.018) 4.580 1.336 ( -3.277 -0.000 2.347) 4.031 1.423 ( -1.329 -0.000 -2.797) 3.097 1.458 ( 1.347 0.000 -1.918) 2.344 1.557 ( -4.581 -0.000 4.691) 6.557 1.825 ( 3.330 0.000 3.034) 4.505 1.860 ( 2.919 0.000 -1.993) 3.534 1.997 ( 1.538 0.000 -5.785) 5.986 2.279 ( 2.345 0.000 -0.827) 2.487 2.370 ( 7.743 0.000 -0.740) 7.778 2.641 ( 13.466 0.000 -1.692) 13.572 3.110 ( -2.658 -0.000 5.514) 6.121 3.199 ( 5.162 0.000 -2.601) 5.781 3.219 ( 1.934 0.000 0.790) 2.090 3.302 ( 2.312 0.000 5.858) 6.298 3.341 ( -1.495 -0.000 -0.110) 1.499 3.634 ( 2.883 0.000 0.980) 3.045 3.749 ( 6.641 0.000 -1.233) 6.754 4.240 ( 11.907 0.000 7.016) 13.820 4.997 ( 5.852 0.000 -10.639) 12.143 5.444 ( 0.465 0.000 -8.613) 8.626 5.543 ( -8.303 -0.000 3.005) 8.830 6.720 ( -11.393 -0.000 15.456) 19.201 7.387 ( -1.298 -0.000 -14.101) 14.161 8.339 ( -9.973 -0.000 9.679) 13.898 8.730 ( 0.776 0.000 -9.846) 9.877 9.900 ( 4.176 0.000 1.336) 4.384 10.213 ( -3.669 -0.000 7.898) 8.709 10.337 ( 4.450 0.000 -4.399) 6.258 10.556 ( 0.744 0.000 -2.323) 2.439 13.168 ( 0.461 0.000 0.606) 0.761 13.218 ( -0.349 -0.000 4.059) 4.074 13.297 ( 0.629 0.000 -3.355) 3.413 13.569 ( 1.155 0.000 -4.316) 4.467 13.917 ( 1.376 0.000 -0.161) 1.385 13.975 ( -0.488 -0.000 -0.323) 0.585 ======================= Grid point 160 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.772 -0.544 2.898) 3.440 1.269 ( -2.894 2.916 1.481) 4.368 1.385 ( -1.677 1.390 -1.739) 2.787 1.434 ( -0.083 3.312 -0.050) 3.313 1.548 ( -2.295 -3.750 2.840) 5.234 1.836 ( 0.102 2.317 -0.651) 2.409 1.894 ( 1.911 -0.344 -0.618) 2.038 1.995 ( 0.227 0.105 -5.476) 5.482 2.319 ( 2.283 0.227 2.171) 3.159 2.438 ( 3.755 2.804 -0.845) 4.762 2.759 ( 13.062 11.563 -1.538) 17.512 3.013 ( -6.242 4.735 3.626) 8.633 3.189 ( 1.350 3.611 0.345) 3.870 3.232 ( -0.520 1.523 0.160) 1.617 3.326 ( -0.138 -0.877 4.966) 5.045 3.429 ( 2.253 -5.566 -0.157) 6.007 3.661 ( 1.910 2.315 1.398) 3.311 3.811 ( 2.996 1.595 -2.030) 3.955 4.394 ( 6.289 6.340 5.058) 10.263 4.989 ( 1.890 3.659 -9.850) 10.676 5.389 ( -3.611 1.407 0.852) 3.968 5.509 ( 0.384 -4.807 -6.204) 7.857 6.632 ( -8.164 -4.232 14.717) 17.354 7.384 ( 2.196 -4.113 -13.112) 13.916 8.250 ( -7.677 -3.445 9.374) 12.597 8.751 ( 3.758 -2.342 -10.375) 11.280 9.956 ( 3.692 1.601 2.691) 4.841 10.151 ( -5.959 1.423 6.518) 8.946 10.377 ( 3.823 1.713 -3.097) 5.210 10.554 ( -0.273 0.036 -2.735) 2.748 13.173 ( 0.109 0.292 0.567) 0.647 13.223 ( -0.383 0.238 4.285) 4.309 13.297 ( 0.576 0.007 -3.278) 3.328 13.565 ( 0.484 0.463 -4.670) 4.718 13.935 ( 1.037 0.270 -0.152) 1.083 13.965 ( -0.553 0.049 -0.424) 0.699 ======================= Grid point 161 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.217 0.761 2.118) 2.261 1.206 ( 0.788 2.366 1.599) 2.962 1.335 ( 0.275 3.043 -0.126) 3.058 1.386 ( -0.145 3.361 -0.013) 3.365 1.575 ( -1.444 -2.929 2.215) 3.946 1.802 ( -0.257 1.646 -0.994) 1.940 1.881 ( -0.375 3.825 -3.344) 5.095 1.992 ( -0.343 -2.269 -2.905) 3.702 2.338 ( -0.140 1.246 2.180) 2.515 2.408 ( 0.044 4.978 -0.246) 4.984 2.725 ( 4.025 12.579 1.148) 13.257 2.858 ( 1.121 10.755 -1.783) 10.959 3.162 ( 1.448 3.938 1.004) 4.314 3.206 ( 0.300 2.125 -0.467) 2.196 3.318 ( -4.109 -0.740 5.321) 6.764 3.493 ( 0.362 1.434 -0.670) 1.624 3.639 ( 1.009 4.200 1.855) 4.701 3.786 ( -0.720 3.117 -2.088) 3.820 4.208 ( -6.762 17.820 10.036) 21.540 4.998 ( 5.143 0.521 -11.929) 13.000 5.328 ( -4.373 -2.035 1.993) 5.219 5.596 ( 5.090 -2.647 -7.336) 9.313 6.683 ( -4.004 -10.495 12.974) 17.161 7.478 ( 4.139 -6.700 -11.887) 14.259 8.249 ( -4.543 -6.178 8.347) 11.335 8.853 ( 6.761 -4.721 -10.095) 13.035 9.964 ( -2.183 3.702 4.025) 5.889 10.048 ( -2.723 2.374 4.299) 5.616 10.395 ( 2.906 2.446 -1.244) 3.997 10.528 ( -0.775 1.214 -3.093) 3.412 13.166 ( -0.463 0.517 0.855) 1.102 13.223 ( -0.542 0.539 4.119) 4.190 13.299 ( 0.659 -0.275 -2.906) 2.992 13.546 ( 0.146 0.900 -4.882) 4.967 13.939 ( 0.356 0.723 0.062) 0.808 13.956 ( -0.395 -0.107 -0.686) 0.799 ======================= Grid point 162 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 2.714 2.731 1.010) 3.980 1.246 ( 3.773 -0.127 2.061) 4.301 1.307 ( 1.926 4.434 1.123) 4.963 1.361 ( 2.454 1.466 -0.531) 2.908 1.588 ( -1.236 0.017 3.199) 3.429 1.752 ( -3.725 4.285 -1.373) 5.841 1.795 ( -0.885 1.904 -2.106) 2.974 2.020 ( 0.240 -2.733 -3.450) 4.408 2.259 ( -4.246 5.398 1.577) 7.047 2.348 ( -1.042 2.668 0.955) 3.019 2.579 ( -1.085 9.471 -2.314) 9.810 2.720 ( 2.294 14.468 -0.313) 14.652 3.122 ( 0.563 5.197 0.819) 5.292 3.168 ( -1.235 2.677 -0.927) 3.091 3.244 ( -4.602 2.513 3.229) 6.158 3.401 ( 1.201 9.673 2.398) 10.038 3.571 ( -0.713 7.014 2.385) 7.443 3.728 ( -1.257 2.097 -2.931) 3.817 3.955 ( -1.136 10.437 12.045) 15.978 4.998 ( 0.928 0.893 -12.336) 12.403 5.336 ( -0.752 -3.425 2.239) 4.160 5.672 ( 4.456 -0.280 -6.666) 8.023 6.834 ( -3.270 -12.652 11.288) 17.268 7.605 ( 3.881 -6.733 -11.435) 13.827 8.321 ( -1.367 -7.398 6.802) 10.142 9.022 ( 8.220 -5.986 -9.314) 13.790 9.802 ( -8.484 5.711 4.097) 11.018 10.043 ( 1.720 1.771 3.152) 4.004 10.384 ( 0.715 3.350 0.927) 3.549 10.491 ( 0.878 2.055 -3.569) 4.211 13.151 ( -0.844 0.546 1.316) 1.656 13.217 ( -0.606 0.461 3.466) 3.549 13.307 ( 0.603 -0.440 -2.352) 2.468 13.519 ( 0.138 1.212 -4.719) 4.874 13.929 ( -0.085 0.969 0.307) 1.020 13.953 ( -0.099 -0.382 -0.960) 1.038 ======================= Grid point 163 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 2.810 0.558 4.081) 4.987 1.282 ( 5.116 3.764 0.001) 6.352 1.338 ( 3.409 0.035 1.942) 3.924 1.402 ( 5.782 1.485 -0.906) 6.038 1.490 ( -5.420 6.661 4.083) 9.509 1.665 ( -1.964 -0.812 4.205) 4.711 1.761 ( -0.779 1.670 -1.654) 2.476 2.015 ( -2.574 3.342 -3.645) 5.575 2.132 ( -3.525 2.048 3.032) 5.080 2.228 ( -6.576 6.291 1.738) 9.265 2.487 ( 3.010 5.598 -4.953) 8.058 2.548 ( -0.992 5.900 -1.093) 6.082 3.042 ( 2.472 5.986 -1.611) 6.674 3.118 ( 1.530 4.224 -0.164) 4.496 3.194 ( -0.438 1.041 3.471) 3.650 3.319 ( 3.461 9.286 3.346) 10.460 3.488 ( 0.526 4.767 2.815) 5.561 3.661 ( 0.546 4.243 -4.318) 6.078 3.923 ( 3.041 4.173 10.493) 11.695 4.957 ( -0.151 0.373 -11.989) 11.996 5.389 ( -0.517 -4.070 1.470) 4.358 5.705 ( 3.191 1.341 -5.367) 6.386 6.959 ( -5.664 -10.262 11.101) 16.144 7.698 ( 1.683 -4.597 -11.657) 12.643 8.442 ( 0.954 -7.444 5.789) 9.479 9.166 ( 3.939 -1.879 -9.453) 10.412 9.632 ( -5.246 2.511 4.998) 7.669 10.048 ( 1.148 1.438 0.955) 2.074 10.337 ( -0.639 3.677 3.317) 4.993 10.484 ( 2.890 2.001 -3.645) 5.064 13.137 ( -0.710 0.220 1.676) 1.833 13.212 ( -0.668 0.171 2.838) 2.921 13.312 ( 0.303 -0.213 -2.249) 2.279 13.496 ( 0.697 0.987 -4.040) 4.217 13.914 ( -0.149 0.964 0.358) 1.039 13.958 ( 0.186 -0.621 -1.062) 1.244 ======================= Grid point 168 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.953 -0.000 4.134) 4.242 1.254 ( -1.919 -0.000 1.183) 2.254 1.384 ( 0.744 -0.000 -1.046) 1.283 1.460 ( -0.503 -0.000 -3.449) 3.485 1.495 ( -0.948 -0.000 4.868) 4.959 1.844 ( -0.130 -0.000 -3.226) 3.229 1.906 ( -0.056 -0.000 2.276) 2.277 1.969 ( -1.728 -0.000 -4.669) 4.979 2.352 ( 0.233 -0.000 2.826) 2.836 2.480 ( -0.574 -0.000 -1.356) 1.473 2.923 ( -8.669 -0.000 2.784) 9.105 3.026 ( 9.870 -0.000 -1.909) 10.053 3.220 ( 0.205 -0.000 0.636) 0.668 3.254 ( -0.100 -0.000 -0.396) 0.409 3.295 ( -3.007 -0.000 5.103) 5.923 3.459 ( 5.494 -0.000 0.223) 5.499 3.699 ( -0.086 -0.000 1.959) 1.961 3.836 ( -0.726 -0.000 -2.142) 2.262 4.544 ( 0.541 -0.000 2.367) 2.428 4.967 ( -2.949 -0.000 -8.672) 9.160 5.285 ( -5.505 -0.000 1.927) 5.833 5.562 ( 8.980 -0.000 -7.079) 11.435 6.519 ( -6.711 -0.000 14.568) 16.039 7.380 ( 5.644 -0.000 -12.396) 13.620 8.158 ( -4.124 -0.000 8.804) 9.722 8.786 ( 6.595 -0.000 -10.450) 12.357 10.021 ( 1.822 -0.000 4.268) 4.640 10.077 ( -7.239 -0.000 5.371) 9.014 10.431 ( 2.654 -0.000 -2.069) 3.365 10.544 ( 0.082 -0.000 -3.383) 3.384 13.174 ( -0.440 -0.000 0.501) 0.667 13.233 ( -0.317 -0.000 4.505) 4.517 13.293 ( 0.258 -0.000 -3.243) 3.253 13.558 ( 0.059 -0.000 -4.883) 4.883 13.950 ( 0.594 -0.000 -0.115) 0.605 13.954 ( -0.619 -0.000 -0.490) 0.789 ======================= Grid point 170 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.432 0.714 3.861) 4.179 1.240 ( 0.863 0.179 1.287) 1.560 1.401 ( 3.357 2.019 -1.527) 4.205 1.415 ( -0.684 2.004 -1.612) 2.661 1.528 ( -0.130 -2.695 3.317) 4.276 1.824 ( 0.523 2.100 -2.122) 3.031 1.894 ( -2.897 2.451 -1.487) 4.076 1.926 ( -2.004 -3.105 -1.509) 3.992 2.333 ( -3.235 0.652 2.116) 3.921 2.420 ( -4.292 1.908 -1.056) 4.814 2.774 ( -6.129 3.860 -0.233) 7.247 3.069 ( 2.925 7.917 -0.209) 8.442 3.220 ( -1.781 1.116 0.656) 2.202 3.229 ( 0.314 1.442 0.264) 1.500 3.261 ( -2.181 1.371 3.919) 4.690 3.541 ( 3.471 0.719 0.831) 3.641 3.679 ( -1.351 0.994 1.760) 2.431 3.778 ( -4.037 1.680 -1.868) 4.755 4.344 ( -10.579 12.588 6.154) 17.556 4.937 ( -3.589 -4.404 -9.387) 10.973 5.274 ( 1.808 -1.003 -0.317) 2.092 5.682 ( 8.764 0.571 -6.581) 10.974 6.532 ( -3.123 -7.009 13.476) 15.508 7.473 ( 7.675 -2.555 -11.323) 13.916 8.173 ( 0.164 -2.872 7.561) 8.090 8.896 ( 8.915 -2.577 -9.870) 13.548 9.940 ( -7.951 3.682 4.195) 9.714 10.052 ( -1.005 -0.897 4.828) 5.012 10.449 ( 1.219 1.233 -0.625) 1.843 10.535 ( 0.948 0.895 -3.706) 3.929 13.163 ( -0.973 0.235 0.751) 1.251 13.236 ( -0.445 0.643 4.242) 4.313 13.290 ( 0.115 -0.573 -2.815) 2.875 13.540 ( -0.141 0.362 -4.954) 4.970 13.945 ( -0.440 -0.146 -0.726) 0.861 13.951 ( 0.032 0.487 0.168) 0.516 ======================= Grid point 171 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.659 1.178 3.948) 4.173 1.287 ( 3.525 -1.410 1.147) 3.966 1.369 ( -0.164 1.631 -0.576) 1.737 1.445 ( 4.701 1.468 -2.834) 5.682 1.574 ( 0.603 -1.844 3.858) 4.318 1.749 ( -6.460 6.087 0.076) 8.876 1.797 ( -0.952 1.270 -1.225) 2.006 1.962 ( 0.197 -3.803 -3.064) 4.888 2.235 ( -6.475 2.906 0.562) 7.120 2.324 ( -5.187 0.581 0.110) 5.220 2.642 ( -1.913 5.137 -4.026) 6.801 2.887 ( -7.697 14.370 3.686) 16.713 3.143 ( -4.833 1.473 1.508) 5.272 3.190 ( -3.387 2.050 3.084) 5.019 3.218 ( 1.033 3.100 0.495) 3.305 3.551 ( 3.265 4.682 0.603) 5.740 3.617 ( -4.060 3.543 0.777) 5.444 3.706 ( -2.346 -0.729 -1.537) 2.898 4.101 ( -3.920 6.252 8.016) 10.896 4.895 ( -4.477 -3.343 -9.502) 11.023 5.321 ( 1.970 -0.881 -0.946) 2.356 5.767 ( 6.899 2.560 -5.752) 9.340 6.662 ( -1.487 -9.900 12.009) 15.634 7.599 ( 7.630 -2.411 -10.897) 13.519 8.274 ( 3.562 -4.242 6.051) 8.204 9.064 ( 9.482 -4.027 -9.131) 13.766 9.757 ( -8.547 5.202 3.956) 10.759 10.051 ( -2.416 -1.161 3.814) 4.662 10.427 ( -0.865 2.507 1.122) 2.879 10.533 ( 2.196 1.334 -3.692) 4.498 13.145 ( -1.126 0.264 1.160) 1.638 13.227 ( -0.579 0.851 3.223) 3.383 13.296 ( 0.042 -0.900 -1.889) 2.093 13.517 ( -0.130 0.525 -4.711) 4.742 13.940 ( -0.197 0.459 0.020) 0.499 13.943 ( -0.113 -0.065 -0.539) 0.554 ======================= Grid point 172 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.287 -0.074 6.485) 6.612 1.341 ( -2.514 1.803 0.617) 3.154 1.408 ( 6.674 -2.948 -0.983) 7.362 1.477 ( 1.096 0.920 -2.037) 2.489 1.513 ( -5.392 6.446 4.628) 9.593 1.658 ( 1.958 -1.957 3.966) 4.837 1.762 ( -1.070 1.377 -1.247) 2.144 1.986 ( -1.854 0.150 -3.480) 3.946 2.094 ( -5.874 1.935 2.189) 6.560 2.192 ( -8.319 4.401 1.574) 9.542 2.569 ( -1.850 3.319 -3.465) 5.142 2.577 ( -3.304 7.211 -0.995) 7.994 3.078 ( -3.320 -0.991 0.704) 3.536 3.131 ( -3.415 -0.205 5.953) 6.866 3.192 ( 0.999 3.255 -0.534) 3.446 3.480 ( -1.182 5.170 -1.053) 5.407 3.557 ( 0.715 2.500 1.522) 3.013 3.696 ( 0.683 0.060 -2.047) 2.159 4.063 ( 1.373 1.987 7.130) 7.528 4.851 ( -3.280 -3.489 -10.270) 11.331 5.352 ( 0.122 -1.617 -0.155) 1.629 5.792 ( 4.473 4.236 -4.743) 7.775 6.793 ( -2.392 -7.755 11.613) 14.167 7.693 ( 5.854 0.094 -11.250) 12.683 8.420 ( 4.695 -4.361 5.506) 8.449 9.190 ( 4.054 0.446 -9.835) 10.647 9.601 ( -4.431 1.764 5.459) 7.249 10.041 ( -1.879 -1.800 1.306) 2.912 10.369 ( -2.416 2.681 3.020) 4.706 10.542 ( 2.506 1.241 -3.463) 4.452 13.131 ( -0.772 -0.015 1.487) 1.675 13.216 ( -0.547 0.608 2.683) 2.805 13.301 ( -0.162 -0.661 -1.798) 1.923 13.500 ( 0.343 0.142 -4.088) 4.105 13.927 ( -0.152 0.921 0.551) 1.084 13.948 ( 0.214 -0.674 -1.106) 1.313 ======================= Grid point 178 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.701 0.000 4.486) 4.540 1.260 ( 1.898 0.000 0.555) 1.977 1.399 ( -1.665 -0.000 -2.926) 3.367 1.465 ( 2.525 0.000 -1.651) 3.017 1.534 ( 2.188 0.000 4.418) 4.930 1.836 ( -4.289 -0.000 1.667) 4.601 1.842 ( -5.866 -0.000 -0.736) 5.912 1.878 ( 3.724 0.000 -4.923) 6.173 2.269 ( -5.991 -0.000 1.712) 6.230 2.331 ( -7.733 -0.000 -1.387) 7.856 2.708 ( -4.218 -0.000 -2.419) 4.862 3.111 ( -3.522 -0.000 0.882) 3.630 3.175 ( -5.703 -0.000 3.450) 6.665 3.250 ( 0.585 0.000 -1.285) 1.412 3.273 ( -1.114 -0.000 2.010) 2.298 3.605 ( 2.812 0.000 0.377) 2.837 3.646 ( -3.368 -0.000 1.166) 3.564 3.698 ( -6.839 -0.000 -0.896) 6.897 4.169 ( -21.855 -0.000 9.852) 23.973 4.850 ( -0.272 -0.000 -9.742) 9.746 5.318 ( 3.822 0.000 -2.816) 4.747 5.806 ( 8.216 0.000 -6.238) 10.316 6.506 ( 1.232 0.000 13.271) 13.328 7.565 ( 9.860 0.000 -10.364) 14.305 8.216 ( 4.942 0.000 6.325) 8.027 9.001 ( 10.377 0.000 -9.299) 13.934 9.850 ( -8.461 -0.000 3.037) 8.989 10.017 ( -4.008 -0.000 5.312) 6.655 10.463 ( -0.556 -0.000 0.205) 0.593 10.552 ( 1.548 0.000 -3.468) 3.798 13.149 ( -1.263 -0.000 0.979) 1.598 13.247 ( -0.525 -0.000 4.728) 4.757 13.275 ( -0.170 -0.000 -3.177) 3.181 13.524 ( -0.370 -0.000 -4.872) 4.886 13.935 ( -0.219 -0.000 -0.988) 1.012 13.953 ( -0.292 -0.000 0.481) 0.563 ======================= Grid point 179 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.904 1.191 5.055) 5.531 1.315 ( 2.866 -2.208 0.018) 3.618 1.364 ( -1.422 0.210 -1.123) 1.824 1.475 ( -0.940 -0.578 -0.049) 1.104 1.598 ( 3.060 -0.673 1.675) 3.553 1.703 ( -8.754 3.575 1.884) 9.641 1.781 ( -2.091 0.123 0.316) 2.118 1.940 ( 3.587 -1.462 -4.909) 6.253 2.155 ( -7.445 1.808 -0.030) 7.662 2.213 ( -7.585 -1.624 -0.256) 7.762 2.650 ( -0.622 1.238 -5.125) 5.309 2.924 ( -13.069 14.083 4.086) 19.642 3.052 ( -7.687 -0.150 2.837) 8.196 3.211 ( -1.856 3.504 1.253) 4.159 3.247 ( -1.992 -0.326 -0.724) 2.144 3.553 ( -8.196 1.601 1.501) 8.485 3.599 ( -4.742 -0.329 -0.577) 4.788 3.637 ( -0.156 -2.828 -2.544) 3.807 3.949 ( -13.944 -7.223 13.826) 20.923 4.825 ( 0.915 0.591 -10.414) 10.471 5.346 ( 1.396 0.848 -2.845) 3.280 5.890 ( 6.257 1.941 -5.869) 8.796 6.622 ( 4.332 -3.635 12.267) 13.508 7.696 ( 10.075 0.030 -9.968) 14.173 8.344 ( 7.698 -1.151 5.088) 9.299 9.153 ( 10.262 -1.591 -8.905) 13.680 9.701 ( -7.952 3.603 3.222) 9.305 9.972 ( -5.386 -2.469 4.212) 7.269 10.430 ( -2.770 1.395 1.260) 3.347 10.562 ( 1.175 0.228 -3.119) 3.340 13.132 ( -1.124 0.052 1.350) 1.757 13.240 ( -0.567 1.033 2.756) 2.997 13.275 ( -0.239 -1.103 -1.265) 1.695 13.503 ( -0.500 0.051 -4.548) 4.576 13.933 ( 0.162 -0.274 -1.268) 1.307 13.947 ( -0.376 0.394 0.718) 0.902 ======================= Grid point 180 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.832 -0.331 7.447) 7.974 1.292 ( -6.627 1.398 1.740) 6.992 1.417 ( 0.684 -3.148 0.504) 3.260 1.460 ( -2.120 -1.707 -0.177) 2.728 1.505 ( -6.348 3.833 2.786) 7.922 1.664 ( 1.106 -2.571 0.774) 2.904 1.767 ( 0.296 0.795 0.702) 1.101 1.969 ( -0.652 1.968 -3.638) 4.187 2.027 ( -4.991 0.554 0.819) 5.088 2.106 ( -7.620 1.157 1.724) 7.898 2.528 ( -11.606 7.632 3.179) 14.250 2.626 ( 2.296 1.758 -7.508) 8.045 2.957 ( -7.345 -2.586 3.380) 8.489 3.134 ( -2.001 2.771 2.105) 4.014 3.213 ( -2.655 -0.024 -2.084) 3.375 3.425 ( -7.850 -1.830 1.673) 8.232 3.535 ( -4.831 -2.806 -1.700) 5.840 3.681 ( 0.615 -2.896 -2.328) 3.767 3.949 ( -8.477 -9.563 13.178) 18.357 4.804 ( 2.186 1.305 -11.609) 11.885 5.336 ( -0.511 0.024 -1.102) 1.215 5.906 ( 3.566 4.330 -5.385) 7.775 6.773 ( 4.623 -2.182 11.574) 12.653 7.799 ( 8.541 2.590 -10.381) 13.690 8.495 ( 7.222 -0.874 5.102) 8.885 9.249 ( 3.997 3.286 -10.554) 11.754 9.576 ( -2.957 0.715 5.876) 6.617 9.956 ( -3.613 -4.690 1.684) 6.155 10.352 ( -4.669 1.872 2.495) 5.615 10.564 ( 0.358 -0.148 -2.929) 2.954 13.123 ( -0.609 -0.157 1.639) 1.756 13.226 ( -0.384 0.843 2.382) 2.556 13.282 ( -0.334 -0.868 -1.230) 1.542 13.487 ( -0.197 -0.519 -3.992) 4.031 13.935 ( -0.227 0.485 0.409) 0.674 13.941 ( 0.370 -0.408 -1.107) 1.236 ======================= Grid point 187 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -6.111 -0.000 6.983) 9.280 1.311 ( -3.781 -0.000 -0.894) 3.885 1.343 ( 0.675 0.000 1.959) 2.072 1.432 ( -3.481 -0.000 0.928) 3.603 1.584 ( -9.627 -0.000 2.287) 9.894 1.626 ( 0.415 0.000 -0.143) 0.439 1.771 ( 1.057 0.000 0.440) 1.145 1.983 ( 4.092 0.000 -5.332) 6.721 2.056 ( -8.174 -0.000 -0.316) 8.180 2.087 ( -4.274 -0.000 -0.366) 4.290 2.646 ( 1.665 0.000 -6.643) 6.849 2.893 ( -12.213 -0.000 4.922) 13.167 2.927 ( -8.617 -0.000 0.079) 8.618 2.993 ( -22.501 -0.000 2.821) 22.678 3.216 ( -3.383 -0.000 3.281) 4.713 3.462 ( -6.835 -0.000 1.920) 7.099 3.486 ( -7.047 -0.000 -5.359) 8.853 3.522 ( -4.582 -0.000 0.084) 4.583 3.819 ( -2.457 -0.000 14.318) 14.527 4.824 ( 1.872 0.000 -10.382) 10.550 5.350 ( -0.708 -0.000 -2.863) 2.949 5.967 ( 4.031 0.000 -6.244) 7.432 6.744 ( 8.637 0.000 11.756) 14.588 7.833 ( 10.492 0.000 -9.652) 14.256 8.488 ( 9.289 0.000 4.271) 10.224 9.279 ( 9.962 0.000 -9.284) 13.617 9.624 ( -6.298 -0.000 3.031) 6.989 9.864 ( -6.781 -0.000 4.389) 8.077 10.384 ( -4.868 -0.000 1.704) 5.158 10.558 ( -0.624 -0.000 -2.796) 2.864 13.121 ( -0.806 -0.000 1.669) 1.854 13.251 ( -0.952 -0.000 4.479) 4.579 13.257 ( 0.335 0.000 -2.921) 2.941 13.479 ( -0.842 -0.000 -4.220) 4.303 13.933 ( 0.547 0.000 -1.582) 1.674 13.945 ( -0.487 -0.000 0.821) 0.954 ======================= Grid point 188 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.154 -2.463 10.346) 13.401 1.185 ( -11.420 0.927 7.195) 13.529 1.363 ( -3.424 -2.115 0.069) 4.025 1.377 ( -4.788 -1.434 -0.315) 5.008 1.463 ( -2.992 1.918 0.072) 3.555 1.628 ( -1.221 -2.015 -0.488) 2.406 1.791 ( 0.235 0.577 3.264) 3.323 1.957 ( -3.689 -0.028 -0.352) 3.706 1.998 ( -0.292 3.925 -2.480) 4.652 2.041 ( -1.446 -0.199 -0.056) 1.461 2.443 ( -16.410 8.705 5.237) 19.300 2.658 ( 1.632 1.922 -8.455) 8.823 2.814 ( -5.978 -3.538 0.265) 6.952 2.930 ( -16.233 -17.827 3.375) 24.345 3.139 ( -4.100 2.847 2.925) 5.786 3.310 ( -6.736 4.329 -1.018) 8.071 3.392 ( -5.364 -3.234 -2.056) 6.592 3.550 ( -4.084 -9.487 -2.676) 10.670 3.845 ( -1.296 -0.806 13.351) 13.438 4.824 ( 2.507 0.465 -10.932) 11.225 5.322 ( -1.389 0.182 -0.435) 1.467 5.973 ( 1.125 2.310 -6.479) 6.970 6.916 ( 9.134 0.878 11.128) 14.423 7.945 ( 8.964 2.425 -10.228) 13.814 8.630 ( 7.369 1.090 4.662) 8.788 9.338 ( 3.268 5.364 -11.861) 13.422 9.569 ( -0.048 -0.523 6.268) 6.290 9.820 ( -4.733 -5.654 2.245) 7.708 10.294 ( -6.088 0.995 2.507) 6.659 10.533 ( -2.079 -0.900 -2.707) 3.530 13.119 ( -0.349 -0.165 1.895) 1.934 13.240 ( -0.414 0.838 2.908) 3.054 13.265 ( 0.262 -0.666 -1.497) 1.659 13.459 ( -0.703 -0.741 -3.744) 3.881 13.937 ( -0.430 0.242 0.424) 0.651 13.941 ( 0.647 -0.238 -1.485) 1.638 ======================= Grid point 196 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -11.329 -0.000 14.991) 18.791 1.022 ( -11.949 -0.000 11.553) 16.621 1.239 ( -10.200 -0.000 1.153) 10.265 1.290 ( -4.933 -0.000 -0.660) 4.977 1.477 ( 2.070 0.000 -0.887) 2.252 1.583 ( -2.028 -0.000 0.416) 2.070 1.801 ( -1.201 -0.000 6.241) 6.355 1.937 ( -0.286 -0.000 0.445) 0.529 2.023 ( -0.127 -0.000 -1.229) 1.236 2.054 ( 2.430 0.000 -3.087) 3.929 2.187 ( -23.286 -0.000 12.649) 26.500 2.552 ( -10.285 -0.000 -1.782) 10.438 2.683 ( -4.635 -0.000 1.987) 5.043 2.728 ( 4.959 0.000 -9.345) 10.580 3.087 ( -6.074 -0.000 3.133) 6.834 3.236 ( -9.413 -0.000 -5.831) 11.073 3.298 ( -2.510 -0.000 -1.708) 3.036 3.377 ( -4.676 -0.000 0.077) 4.676 3.874 ( -0.023 -0.000 11.639) 11.639 4.835 ( 2.625 0.000 -10.622) 10.941 5.309 ( -0.051 -0.000 2.463) 2.464 5.966 ( -1.504 -0.000 -7.452) 7.602 7.098 ( 8.445 0.000 10.980) 13.852 8.063 ( 7.292 0.000 -11.120) 13.298 8.753 ( 4.801 0.000 4.563) 6.624 9.381 ( 0.315 0.000 -12.331) 12.335 9.611 ( 3.708 0.000 5.105) 6.309 9.710 ( -3.549 -0.000 2.450) 4.312 10.211 ( -6.105 -0.000 3.298) 6.939 10.473 ( -3.346 -0.000 -2.621) 4.250 13.119 ( -0.144 -0.000 2.047) 2.052 13.248 ( -0.560 -0.000 3.845) 3.886 13.268 ( 1.274 0.000 -2.473) 2.782 13.430 ( -0.689 -0.000 -3.325) 3.396 13.930 ( -0.766 -0.000 0.448) 0.887 13.947 ( 0.945 0.000 -1.917) 2.137 ======================= Grid point 197 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.106 -0.000 7.263) 7.900 1.011 ( -1.090 -0.000 1.092) 1.543 1.190 ( -1.846 -0.000 11.387) 11.536 1.351 ( 5.162 0.000 -3.841) 6.434 1.516 ( 0.210 0.000 0.460) 0.506 1.538 ( -1.316 -0.000 -1.577) 2.054 1.820 ( -3.799 -0.000 9.174) 9.929 1.917 ( -2.433 -0.000 8.561) 8.900 1.990 ( 0.371 0.000 -3.336) 3.356 2.039 ( 3.070 0.000 -8.330) 8.878 2.262 ( -1.510 -0.000 1.593) 2.195 2.285 ( 1.246 0.000 1.162) 1.704 2.665 ( 0.849 0.000 -1.100) 1.390 2.672 ( 2.747 0.000 -3.620) 4.544 2.944 ( -4.596 -0.000 1.158) 4.740 2.979 ( 4.454 0.000 -2.362) 5.042 3.268 ( -2.418 -0.000 0.705) 2.518 3.285 ( 2.850 0.000 -1.104) 3.057 4.213 ( -2.141 -0.000 17.471) 17.602 4.563 ( 2.557 0.000 -17.481) 17.667 5.527 ( 5.339 0.000 5.367) 7.570 5.650 ( -5.223 -0.000 -7.440) 9.091 7.563 ( 0.688 0.000 13.679) 13.697 7.837 ( -0.750 -0.000 -14.188) 14.208 8.935 ( -0.920 -0.000 7.400) 7.457 9.095 ( -0.918 -0.000 -9.004) 9.051 9.714 ( -0.180 -0.000 1.831) 1.840 9.741 ( 1.612 0.000 -0.874) 1.833 10.232 ( 0.499 0.000 5.137) 5.161 10.321 ( -0.730 -0.000 -3.960) 4.027 13.177 ( -0.316 -0.000 2.913) 2.930 13.236 ( 0.649 0.000 -3.047) 3.115 13.302 ( -1.367 -0.000 2.825) 3.139 13.360 ( 1.391 0.000 -3.003) 3.309 13.911 ( -1.016 -0.000 0.688) 1.227 13.932 ( 1.049 0.000 -1.489) 1.821 ======================= Grid point 198 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 6.876 -0.510 4.819) 8.412 1.064 ( 3.094 -4.296 5.798) 7.851 1.245 ( 5.229 -0.444 3.450) 6.280 1.382 ( -0.147 1.330 -2.023) 2.426 1.512 ( -0.867 -0.305 1.490) 1.751 1.540 ( 1.245 -3.701 -4.081) 5.648 1.829 ( -2.756 -2.816 7.922) 8.848 1.913 ( -0.335 2.374 5.249) 5.771 2.005 ( 0.427 -3.740 0.456) 3.791 2.064 ( 1.384 -1.648 -8.564) 8.830 2.277 ( 2.410 1.502 3.755) 4.708 2.339 ( 7.315 -0.059 -2.413) 7.703 2.654 ( -1.994 -3.234 2.279) 4.430 2.836 ( 6.150 -10.991 -6.656) 14.246 2.945 ( 2.432 -2.772 2.439) 4.421 3.078 ( 7.372 0.813 -2.123) 7.714 3.296 ( 1.216 -5.133 -0.985) 5.366 3.360 ( 3.757 -3.447 -0.494) 5.123 4.216 ( -3.052 1.236 17.935) 18.235 4.556 ( 2.688 -1.070 -18.221) 18.449 5.543 ( -4.389 1.034 -6.282) 7.733 5.620 ( 4.763 0.638 4.605) 6.656 7.551 ( -4.025 3.989 13.002) 14.183 7.734 ( -3.750 2.870 -13.392) 14.200 8.899 ( -2.496 4.773 8.652) 10.191 9.039 ( -2.316 0.157 -7.480) 7.832 9.712 ( -0.451 0.672 1.381) 1.601 9.809 ( 4.148 -3.876 -2.423) 6.172 10.278 ( 1.560 -1.268 4.437) 4.871 10.325 ( 1.748 -1.249 -3.260) 3.905 13.180 ( -0.454 -0.015 2.699) 2.737 13.235 ( 0.411 0.064 -3.083) 3.111 13.292 ( -1.161 -0.342 2.833) 3.080 13.379 ( 1.761 -0.311 -3.211) 3.675 13.900 ( -0.752 -0.245 0.701) 1.057 13.944 ( 1.003 0.076 -1.256) 1.609 ======================= Grid point 199 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.621 -0.549 -0.036) 8.639 1.227 ( 5.680 -5.016 5.127) 9.150 1.340 ( 0.850 -1.065 0.554) 1.471 1.379 ( 7.484 1.053 -0.611) 7.583 1.516 ( -0.358 -0.769 3.302) 3.409 1.616 ( 1.801 -4.480 -5.688) 7.461 1.828 ( -0.978 1.768 5.642) 5.993 1.874 ( -4.688 -2.223 3.322) 6.160 2.056 ( -1.655 -3.264 -2.208) 4.274 2.087 ( 0.876 -2.460 -4.602) 5.291 2.327 ( 1.738 -1.730 3.590) 4.348 2.452 ( 10.672 4.012 -7.140) 13.453 2.762 ( 2.236 -11.892 4.304) 12.843 3.003 ( 4.042 -3.676 0.336) 5.474 3.144 ( 8.322 -1.184 -1.931) 8.625 3.164 ( 5.703 -7.877 -0.218) 9.727 3.413 ( 3.309 -6.330 -1.462) 7.291 3.469 ( 2.535 -3.586 1.089) 4.525 4.194 ( -3.026 1.758 17.761) 18.103 4.582 ( 3.684 -3.233 -18.496) 19.134 5.452 ( -3.123 1.097 -4.890) 5.905 5.682 ( 3.460 1.637 3.899) 5.464 7.408 ( -7.089 7.042 7.974) 12.784 7.595 ( -4.362 3.269 -8.444) 10.051 8.793 ( -2.634 7.146 8.112) 11.127 8.987 ( -2.733 -1.254 -6.517) 7.178 9.697 ( -0.271 1.025 1.256) 1.644 9.933 ( 4.043 -4.733 -2.512) 6.713 10.327 ( 2.230 -1.217 0.868) 2.684 10.385 ( 2.537 -1.882 0.359) 3.179 13.178 ( -0.687 0.127 2.255) 2.360 13.229 ( 0.108 0.195 -2.488) 2.498 13.294 ( -0.663 -0.859 2.803) 3.006 13.402 ( 1.956 -0.231 -3.707) 4.197 13.900 ( -0.397 -0.654 0.708) 1.043 13.952 ( 0.731 0.377 -0.983) 1.282 ======================= Grid point 200 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 2.091 -0.213 -0.221) 2.114 1.333 ( 1.743 -0.388 1.110) 2.103 1.408 ( 3.537 -2.564 0.930) 4.467 1.482 ( 5.912 0.994 -1.565) 6.196 1.539 ( 0.305 -0.369 6.117) 6.136 1.679 ( 1.693 -2.289 -3.400) 4.434 1.790 ( -0.700 2.019 3.024) 3.703 1.869 ( -2.246 -3.007 1.518) 4.049 2.058 ( -2.608 -3.073 -1.039) 4.162 2.104 ( -0.563 -0.722 -2.261) 2.440 2.381 ( -2.531 -5.515 2.987) 6.763 2.515 ( 8.378 5.149 -6.213) 11.632 2.990 ( 5.528 -6.011 -1.672) 8.336 3.104 ( 2.558 -2.787 1.144) 3.952 3.223 ( 5.826 -2.457 -2.235) 6.706 3.371 ( 2.624 -3.661 3.664) 5.806 3.519 ( 0.976 -1.699 0.144) 1.965 3.548 ( 2.547 -5.146 0.916) 5.815 4.203 ( -0.182 -0.470 15.204) 15.213 4.631 ( 2.644 -2.303 -16.947) 17.306 5.394 ( -1.430 0.429 -2.156) 2.622 5.703 ( 1.445 1.702 1.754) 2.839 7.228 ( -6.363 6.325 8.270) 12.202 7.473 ( -2.567 1.689 -8.722) 9.247 8.697 ( -0.558 5.471 6.957) 8.868 8.952 ( -2.790 -2.611 -6.254) 7.329 9.684 ( 0.110 1.170 1.202) 1.681 10.025 ( 1.926 -2.309 -1.572) 3.393 10.387 ( 1.533 -1.455 2.084) 2.968 10.439 ( 2.178 -1.067 -1.072) 2.652 13.170 ( -0.638 0.189 1.962) 2.072 13.220 ( 0.072 0.251 -2.187) 2.203 13.306 ( -0.621 -0.907 3.053) 3.244 13.421 ( 1.746 0.162 -3.978) 4.347 13.909 ( -0.099 -0.981 0.667) 1.190 13.950 ( 0.383 0.734 -0.827) 1.170 ======================= Grid point 201 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.173 -0.897 1.551) 2.141 1.335 ( -0.453 0.729 0.512) 0.999 1.451 ( -0.400 0.313 0.500) 0.713 1.512 ( -0.146 0.734 -1.316) 1.514 1.561 ( -0.793 0.225 8.034) 8.076 1.689 ( -1.392 -0.287 -1.235) 1.883 1.795 ( 1.892 0.446 0.713) 2.070 1.877 ( -0.529 -0.712 -0.277) 0.929 2.056 ( -1.965 -1.692 1.103) 2.818 2.085 ( -0.276 1.478 -0.739) 1.675 2.415 ( -5.320 -6.786 2.951) 9.114 2.532 ( 7.235 7.367 -6.684) 12.300 3.045 ( -0.334 0.949 -1.067) 1.467 3.151 ( 0.019 -0.847 0.040) 0.848 3.288 ( -3.897 4.333 6.251) 8.546 3.406 ( 2.686 -2.658 -1.588) 4.099 3.563 ( 0.769 0.008 0.049) 0.771 3.630 ( 1.458 -2.024 -2.940) 3.856 4.281 ( 1.821 -2.027 11.335) 11.658 4.589 ( -1.710 3.069 -12.616) 13.096 5.374 ( -0.514 0.820 0.214) 0.991 5.715 ( 0.830 -1.804 -1.448) 2.458 7.105 ( -3.295 3.753 11.891) 12.897 7.458 ( 3.077 -3.728 -11.995) 12.932 8.673 ( 1.898 2.275 5.886) 6.590 8.938 ( -2.507 -4.070 -6.423) 8.007 9.677 ( 0.619 1.149 1.382) 1.901 10.049 ( 0.549 1.135 -0.632) 1.411 10.394 ( -3.088 -0.095 4.364) 5.347 10.486 ( 2.583 -0.636 -3.744) 4.593 13.166 ( -0.301 0.144 2.061) 2.088 13.214 ( 0.385 0.237 -2.186) 2.233 13.314 ( -1.047 -0.645 3.424) 3.638 13.426 ( 1.115 0.734 -4.001) 4.218 13.924 ( -0.045 -0.916 0.555) 1.072 13.940 ( 0.192 0.871 -0.830) 1.219 ======================= Grid point 202 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -4.569 -0.060 2.041) 5.005 1.329 ( -0.441 -0.201 1.233) 1.325 1.404 ( -4.112 1.587 1.010) 4.521 1.451 ( -5.924 0.699 0.995) 6.048 1.533 ( -4.139 1.865 9.184) 10.245 1.651 ( -0.905 1.979 -3.238) 3.901 1.820 ( 0.754 -0.693 1.303) 1.657 1.878 ( 0.936 -0.203 -1.245) 1.571 2.044 ( -0.854 1.475 3.668) 4.044 2.059 ( 0.750 2.332 -0.378) 2.478 2.410 ( -6.645 -4.022 3.233) 8.413 2.499 ( 3.724 6.466 -7.615) 10.661 2.971 ( -3.576 5.169 0.669) 6.321 3.128 ( -2.725 1.016 -0.998) 3.075 3.162 ( -4.072 3.398 3.255) 6.223 3.404 ( -3.789 4.430 0.175) 5.832 3.498 ( -3.452 5.043 -0.243) 6.116 3.629 ( -0.269 2.273 -4.821) 5.337 4.292 ( -4.885 5.122 17.135) 18.539 4.512 ( 2.484 -0.873 -15.772) 15.990 5.356 ( 0.299 1.109 1.625) 1.990 5.763 ( -0.166 -4.237 -4.097) 5.897 7.117 ( 2.657 -1.349 12.731) 13.075 7.578 ( 6.211 -6.790 -12.646) 15.640 8.723 ( 3.669 -0.661 5.398) 6.560 8.953 ( -1.615 -5.870 -7.373) 9.562 9.681 ( 1.293 1.025 1.566) 2.275 10.006 ( -1.011 4.707 0.401) 4.831 10.337 ( -4.824 0.335 3.978) 6.262 10.496 ( 0.063 0.781 -3.807) 3.887 13.168 ( -0.067 0.149 2.425) 2.431 13.215 ( 0.891 0.148 -2.256) 2.430 13.312 ( -1.402 -0.477 3.660) 3.948 13.412 ( 0.411 1.258 -3.910) 4.128 13.926 ( 0.254 0.720 -0.972) 1.236 13.937 ( -0.291 -0.540 0.450) 0.761 ======================= Grid point 203 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -7.565 -0.547 2.959) 8.142 1.269 ( -9.614 2.693 0.829) 10.018 1.307 ( -5.666 -0.690 4.009) 6.975 1.346 ( -1.520 4.041 2.527) 5.003 1.476 ( -1.663 1.536 6.029) 6.440 1.601 ( 0.315 2.886 -3.749) 4.742 1.844 ( -0.785 -1.882 3.258) 3.843 1.911 ( 1.232 -1.637 -0.964) 2.264 2.019 ( 1.249 3.131 3.438) 4.815 2.044 ( 1.619 2.373 -0.812) 2.986 2.330 ( -8.063 -0.135 4.459) 9.215 2.440 ( -2.090 0.478 -7.428) 7.732 2.834 ( 0.842 9.497 -3.122) 10.033 2.990 ( -8.019 9.556 1.723) 12.593 3.098 ( -5.154 -1.347 2.487) 5.879 3.178 ( -7.656 8.034 -1.235) 11.166 3.377 ( -3.248 5.165 1.278) 6.233 3.523 ( -3.321 6.683 -3.756) 8.355 4.199 ( -3.984 2.997 19.004) 19.647 4.545 ( 3.831 -1.603 -16.660) 17.170 5.373 ( 2.070 0.196 3.350) 3.943 5.780 ( -2.503 -3.150 -5.937) 7.172 7.275 ( 6.324 -4.403 12.502) 14.686 7.728 ( 5.502 -6.137 -12.884) 15.295 8.818 ( 3.191 -2.003 6.185) 7.242 9.012 ( 0.469 -7.392 -9.601) 12.126 9.698 ( 1.961 0.852 1.321) 2.514 9.891 ( -3.364 6.766 1.736) 7.753 10.276 ( -3.704 0.279 3.670) 5.221 10.447 ( -2.212 2.010 -3.612) 4.688 13.172 ( -0.127 0.220 2.788) 2.799 13.223 ( 1.159 0.060 -2.375) 2.644 13.309 ( -1.239 -0.596 3.574) 3.829 13.385 ( 0.082 1.470 -3.695) 3.977 13.920 ( 0.570 0.524 -1.361) 1.565 13.936 ( -0.749 -0.267 0.601) 0.997 ======================= Grid point 204 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -8.075 -0.702 4.251) 9.153 1.080 ( -7.896 2.071 0.973) 8.221 1.231 ( -6.378 0.331 11.734) 13.359 1.310 ( 3.439 3.811 -1.116) 5.253 1.486 ( 1.623 -0.976 0.703) 2.020 1.563 ( 0.277 1.930 -2.655) 3.294 1.857 ( -2.933 -1.310 6.474) 7.227 1.935 ( -1.583 -1.602 3.345) 4.032 2.014 ( 2.552 4.688 -6.269) 8.234 2.027 ( 0.512 0.521 -0.701) 1.013 2.251 ( -3.985 -2.426 6.033) 7.626 2.361 ( -5.906 0.660 -4.346) 7.362 2.706 ( -3.334 10.350 4.026) 11.595 2.731 ( 1.898 8.122 -3.395) 9.005 3.005 ( -4.451 1.707 -3.027) 5.647 3.040 ( -6.295 0.345 1.433) 6.465 3.286 ( -0.074 3.432 0.031) 3.433 3.361 ( -3.991 5.783 -0.652) 7.057 4.191 ( -2.070 0.115 17.945) 18.064 4.566 ( 3.209 -0.494 -17.012) 17.319 5.434 ( 4.094 -0.272 4.845) 6.349 5.738 ( -4.396 -1.425 -7.091) 8.464 7.459 ( 4.798 -3.047 13.117) 14.295 7.829 ( 3.142 -3.874 -13.846) 14.717 8.897 ( 0.843 -2.129 6.599) 6.985 9.091 ( 1.243 -4.686 -10.511) 11.575 9.721 ( 1.948 0.768 0.450) 2.141 9.760 ( -3.013 4.276 2.558) 5.823 10.237 ( -1.779 0.788 4.361) 4.775 10.369 ( -2.476 1.596 -3.639) 4.682 13.175 ( -0.261 0.160 2.945) 2.961 13.232 ( 0.948 0.018 -2.621) 2.788 13.310 ( -1.077 -0.518 3.271) 3.483 13.360 ( 0.549 1.018 -3.452) 3.641 13.922 ( 0.741 0.144 -1.359) 1.555 13.926 ( -0.906 0.026 0.484) 1.028 ======================= Grid point 206 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 5.265 0.000 8.357) 9.877 1.182 ( 12.485 0.000 2.221) 12.681 1.355 ( 8.312 0.000 -2.851) 8.787 1.367 ( -2.454 -0.000 0.909) 2.616 1.508 ( 0.008 0.000 2.229) 2.229 1.527 ( 2.813 0.000 -6.004) 6.630 1.810 ( -0.919 -0.000 8.369) 8.419 1.906 ( -3.414 -0.000 0.982) 3.552 1.999 ( 0.960 0.000 2.147) 2.352 2.059 ( 1.692 0.000 -7.822) 8.003 2.407 ( 9.382 0.000 7.159) 11.801 2.410 ( 2.524 0.000 2.949) 3.882 2.718 ( 8.753 0.000 -6.170) 10.709 2.809 ( 8.164 0.000 -6.322) 10.326 3.001 ( 5.373 0.000 4.419) 6.957 3.224 ( 8.887 0.000 -3.376) 9.507 3.306 ( 5.358 0.000 -0.906) 5.434 3.385 ( 3.239 0.000 -0.947) 3.374 4.230 ( -3.124 -0.000 18.020) 18.289 4.531 ( 2.435 0.000 -18.537) 18.696 5.466 ( -3.364 -0.000 -6.684) 7.483 5.708 ( 3.424 0.000 5.387) 6.383 7.533 ( -7.362 -0.000 14.350) 16.128 7.620 ( -6.973 -0.000 -14.625) 16.203 8.922 ( -3.317 -0.000 10.196) 10.722 8.944 ( -6.059 -0.000 -5.555) 8.220 9.722 ( 0.122 0.000 -0.500) 0.515 9.854 ( 6.813 0.000 -4.268) 8.039 10.318 ( 2.074 0.000 5.573) 5.947 10.348 ( 3.705 0.000 -3.532) 5.119 13.180 ( -0.551 -0.000 2.256) 2.323 13.233 ( 0.450 0.000 -3.507) 3.535 13.281 ( -0.907 -0.000 3.436) 3.554 13.398 ( 2.202 0.000 -3.432) 4.078 13.890 ( -0.530 -0.000 0.678) 0.860 13.957 ( 0.945 0.000 -1.046) 1.410 ======================= Grid point 207 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 5.147 -1.116 2.692) 5.915 1.325 ( 1.507 0.901 -0.452) 1.813 1.367 ( 6.219 -0.609 2.114) 6.597 1.478 ( 4.898 -0.816 -2.135) 5.405 1.528 ( 2.134 -0.508 2.896) 3.633 1.588 ( 4.556 -3.296 -5.086) 7.582 1.809 ( -2.116 1.169 5.338) 5.860 1.873 ( 0.595 0.618 1.675) 1.882 2.015 ( 0.765 -0.458 0.278) 0.934 2.073 ( 2.003 -1.027 -5.706) 6.134 2.376 ( 0.277 4.430 3.969) 5.954 2.688 ( 13.379 -4.807 -0.983) 14.251 2.760 ( 10.371 5.462 -1.339) 11.798 3.041 ( 7.273 -4.840 -1.429) 8.852 3.149 ( 7.726 -7.699 3.793) 11.548 3.296 ( 6.458 4.225 -4.122) 8.749 3.418 ( 5.794 -2.397 -1.046) 6.357 3.469 ( 3.397 -3.196 0.679) 4.713 4.225 ( -2.383 1.238 17.618) 17.822 4.544 ( 4.058 -2.638 -18.704) 19.320 5.405 ( -2.036 0.371 -5.317) 5.705 5.750 ( 0.928 1.005 4.665) 4.861 7.386 ( -8.796 5.051 4.766) 11.207 7.488 ( -7.954 -1.412 -5.160) 9.586 8.810 ( -6.380 2.208 -0.117) 6.752 8.891 ( -5.170 -1.223 5.247) 7.467 9.721 ( 1.195 1.004 -1.304) 2.034 9.968 ( 7.158 -1.399 -4.532) 8.587 10.362 ( 1.581 -0.261 4.690) 4.956 10.410 ( 3.780 -0.853 -1.973) 4.348 13.176 ( -0.548 0.135 1.739) 1.828 13.228 ( 0.402 0.239 -3.219) 3.253 13.285 ( -0.436 -0.509 3.834) 3.892 13.424 ( 2.344 0.045 -4.072) 4.699 13.889 ( -0.158 -0.403 0.635) 0.769 13.965 ( 0.630 0.302 -0.833) 1.087 ======================= Grid point 208 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.730 1.374 1.854) 2.420 1.345 ( 0.325 -0.487 -0.754) 0.954 1.432 ( 0.599 -0.410 1.024) 1.255 1.488 ( -2.681 -1.188 -2.012) 3.556 1.609 ( 5.523 0.756 2.992) 6.327 1.685 ( 2.048 -0.294 -0.257) 2.085 1.781 ( 0.941 0.010 0.405) 1.024 1.886 ( 0.567 0.304 -0.162) 0.664 2.057 ( 5.152 1.207 0.988) 5.383 2.115 ( 3.563 0.147 -1.788) 3.989 2.334 ( -0.702 2.316 3.563) 4.307 2.775 ( 11.915 9.638 -5.294) 16.214 3.002 ( 7.903 -6.437 -1.426) 10.292 3.142 ( 3.574 0.090 1.100) 3.740 3.286 ( 2.887 1.185 -1.343) 3.398 3.407 ( 6.333 -3.518 2.689) 7.728 3.514 ( 2.576 -1.829 -1.605) 3.543 3.551 ( 3.542 -1.594 2.014) 4.375 4.248 ( 0.718 -0.068 15.060) 15.077 4.604 ( 4.681 -2.079 -17.487) 18.222 5.364 ( -1.239 -0.247 -2.791) 3.064 5.734 ( -1.774 1.731 2.923) 3.832 7.209 ( -7.516 3.621 6.120) 10.347 7.380 ( -5.750 -2.161 -6.352) 8.836 8.700 ( -5.104 0.019 -0.342) 5.116 8.846 ( -5.428 -2.480 4.092) 7.235 9.725 ( 2.489 2.059 -1.253) 3.465 10.067 ( 5.709 0.193 -3.562) 6.732 10.389 ( -1.050 -0.267 5.321) 5.430 10.468 ( 3.308 -0.513 -2.698) 4.300 13.172 ( -0.222 0.198 1.566) 1.594 13.222 ( 0.526 0.339 -2.810) 2.879 13.298 ( -0.483 -0.510 3.989) 4.051 13.442 ( 1.929 0.422 -4.557) 4.967 13.900 ( 0.214 -0.720 0.542) 0.926 13.963 ( 0.263 0.653 -0.725) 1.010 ======================= Grid point 209 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -1.099 1.957 3.052) 3.788 1.319 ( -2.787 0.173 0.322) 2.811 1.418 ( -3.695 -0.280 1.233) 3.906 1.435 ( -4.963 -0.965 -1.835) 5.379 1.655 ( 2.347 5.442 4.709) 7.569 1.677 ( 1.432 0.468 -0.808) 1.709 1.821 ( 1.712 -0.580 -0.630) 1.914 1.878 ( -0.437 0.180 -1.440) 1.516 2.123 ( 6.018 3.340 1.016) 6.957 2.151 ( 4.902 4.538 1.762) 6.908 2.321 ( -0.747 -0.778 2.730) 2.936 2.780 ( 7.939 11.387 -4.847) 14.703 3.061 ( -0.205 2.621 -0.788) 2.744 3.164 ( 0.631 1.778 0.323) 1.914 3.310 ( -1.348 2.153 3.520) 4.341 3.458 ( 4.075 2.408 -0.862) 4.811 3.599 ( 0.579 0.973 -0.927) 1.463 3.609 ( 3.424 -2.712 -1.254) 4.544 4.327 ( 2.759 -0.938 10.395) 10.796 4.592 ( 0.724 4.138 -12.754) 13.428 5.362 ( -0.296 -1.260 -0.440) 1.367 5.684 ( -2.796 -0.320 -0.016) 2.814 7.106 ( -4.605 0.445 11.281) 12.193 7.373 ( 0.159 -7.101 -11.091) 13.170 8.660 ( -2.562 -3.308 -0.920) 4.284 8.819 ( -5.083 -4.097 2.953) 7.166 9.735 ( 3.661 2.891 -0.866) 4.744 10.114 ( 3.864 2.841 -2.529) 5.422 10.359 ( -3.883 0.971 5.486) 6.791 10.505 ( 1.638 -0.071 -3.256) 3.646 13.173 ( 0.125 0.183 1.753) 1.767 13.221 ( 0.863 0.277 -2.670) 2.820 13.304 ( -0.880 -0.171 4.280) 4.373 13.443 ( 1.162 0.948 -4.774) 5.004 13.916 ( 0.269 -0.682 0.445) 0.858 13.953 ( 0.072 0.844 -0.781) 1.152 ======================= Grid point 210 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -5.244 2.854 1.117) 6.074 1.282 ( -4.989 -0.576 3.038) 5.870 1.344 ( -5.422 0.985 -0.127) 5.512 1.359 ( -3.366 0.102 1.483) 3.680 1.608 ( 1.046 6.176 5.552) 8.371 1.681 ( 1.872 2.597 -3.153) 4.493 1.838 ( -0.407 -0.257 3.360) 3.394 1.876 ( 1.559 -0.080 -3.640) 3.961 2.134 ( 2.878 5.517 1.650) 6.437 2.164 ( 5.743 6.378 3.610) 9.311 2.326 ( -1.310 -0.353 1.285) 1.868 2.647 ( -1.341 12.512 -3.869) 13.165 3.024 ( 1.906 3.846 0.318) 4.304 3.119 ( -1.746 3.163 -0.155) 3.616 3.214 ( -0.783 7.985 0.522) 8.041 3.441 ( -1.681 6.427 -0.441) 6.658 3.525 ( -2.596 5.293 0.283) 5.902 3.645 ( 0.761 1.705 -3.839) 4.269 4.337 ( -5.233 5.479 17.318) 18.903 4.521 ( 4.616 1.404 -16.765) 17.445 5.376 ( 0.904 -0.283 1.594) 1.854 5.671 ( -2.700 -3.953 -3.416) 5.881 7.139 ( 0.781 -4.671 12.092) 12.986 7.492 ( 2.728 -10.166 -11.941) 15.919 8.706 ( -0.145 -5.930 0.824) 5.989 8.822 ( -3.586 -5.915 -0.407) 6.929 9.755 ( 4.630 3.360 -0.560) 5.748 10.076 ( -0.863 5.949 -0.899) 6.078 10.300 ( -2.525 1.311 4.739) 5.528 10.494 ( -0.833 1.201 -3.406) 3.706 13.179 ( 0.132 0.219 2.158) 2.173 13.226 ( 1.112 0.133 -2.728) 2.949 13.301 ( -1.020 0.061 4.554) 4.667 13.426 ( 0.513 1.394 -4.787) 5.012 13.926 ( -0.059 -0.321 0.435) 0.543 13.940 ( 0.136 0.745 -0.962) 1.224 ======================= Grid point 211 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -4.007 2.433 1.098) 4.815 1.150 ( -9.026 2.645 2.883) 9.838 1.259 ( -2.964 2.195 5.040) 6.245 1.354 ( -0.019 -1.679 -2.423) 2.948 1.555 ( 1.238 6.235 5.620) 8.485 1.651 ( 1.428 3.733 -3.945) 5.615 1.849 ( -0.811 -1.095 5.054) 5.234 1.898 ( 1.914 0.088 -2.457) 3.116 2.095 ( 2.008 5.658 2.019) 6.334 2.173 ( 5.129 6.246 2.866) 8.575 2.275 ( -3.370 2.749 0.180) 4.353 2.435 ( -4.106 7.741 -4.496) 9.849 2.981 ( 0.636 7.386 0.034) 7.413 3.046 ( -1.931 2.478 1.014) 3.301 3.080 ( 0.996 11.969 -2.087) 12.191 3.206 ( -7.265 11.879 0.324) 13.928 3.431 ( -0.494 5.971 2.257) 6.402 3.559 ( -2.269 6.646 -4.528) 8.356 4.224 ( -5.645 3.076 20.267) 21.262 4.553 ( 5.488 0.057 -18.160) 18.971 5.420 ( 2.865 -0.739 3.896) 4.892 5.665 ( -3.643 -3.702 -5.859) 7.830 7.302 ( 3.264 -7.700 11.820) 14.479 7.633 ( 1.674 -9.668 -12.406) 15.817 8.786 ( -2.976 -5.910 8.372) 10.672 8.896 ( 2.656 -8.157 -9.265) 12.626 9.781 ( 5.068 3.591 -0.573) 6.238 9.928 ( -5.490 6.916 1.278) 8.923 10.278 ( 0.630 1.981 3.766) 4.302 10.431 ( -2.425 2.360 -3.338) 4.753 13.182 ( -0.194 0.299 2.580) 2.604 13.233 ( 0.893 0.033 -2.703) 2.847 13.301 ( -0.650 -0.007 4.284) 4.333 13.397 ( 0.353 1.516 -4.557) 4.815 13.925 ( -0.469 0.048 0.517) 0.699 13.933 ( 0.379 0.455 -1.170) 1.311 ======================= Grid point 212 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.486 2.735 5.720) 6.810 1.057 ( 2.265 2.077 -2.506) 3.966 1.215 ( -1.670 1.944 10.907) 11.204 1.372 ( 1.135 -0.650 -5.160) 5.323 1.519 ( 0.565 2.456 3.790) 4.552 1.598 ( 0.694 4.447 -4.285) 6.214 1.872 ( -0.692 -1.625 6.241) 6.486 1.899 ( -0.850 2.682 4.200) 5.055 2.049 ( 0.332 4.244 -1.007) 4.374 2.119 ( 2.574 6.545 -7.128) 10.013 2.239 ( 0.791 0.771 3.892) 4.046 2.309 ( -1.710 1.656 -3.316) 4.082 2.806 ( -4.318 12.378 6.877) 14.804 2.921 ( 3.659 10.466 -4.696) 12.041 2.989 ( -1.962 3.774 2.094) 4.741 3.042 ( 1.845 5.297 -3.260) 6.487 3.369 ( 2.119 5.251 1.141) 5.777 3.404 ( -1.926 7.866 -2.574) 8.498 4.198 ( -3.602 -0.588 18.958) 19.306 4.570 ( 4.060 0.713 -18.281) 18.740 5.505 ( 4.115 -1.489 5.322) 6.890 5.624 ( -4.034 -1.850 -7.115) 8.386 7.472 ( 0.284 -6.512 12.625) 14.208 7.728 ( -0.182 -7.342 -13.484) 15.354 8.840 ( -3.376 -6.169 8.629) 11.132 9.022 ( 3.030 -5.302 -9.995) 11.713 9.764 ( -4.673 3.785 2.764) 6.618 9.806 ( 4.574 4.265 -1.398) 6.408 10.275 ( 1.313 2.623 4.346) 5.244 10.354 ( -1.410 2.100 -3.658) 4.447 13.181 ( -0.424 0.210 2.801) 2.840 13.236 ( 0.524 -0.018 -2.689) 2.740 13.302 ( -0.757 0.101 3.403) 3.488 13.376 ( 0.972 1.043 -3.941) 4.191 13.914 ( -0.774 0.253 0.677) 1.059 13.934 ( 0.780 0.122 -1.340) 1.555 ======================= Grid point 215 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -1.865 -0.000 0.111) 1.868 1.312 ( 4.804 0.000 -1.058) 4.919 1.421 ( 0.277 0.000 -0.936) 0.976 1.490 ( -1.959 -0.000 1.505) 2.471 1.632 ( 8.866 0.000 -0.155) 8.867 1.632 ( 4.744 0.000 -0.777) 4.808 1.824 ( -1.290 -0.000 3.875) 4.084 1.869 ( 0.842 0.000 -4.483) 4.562 2.084 ( 7.261 0.000 0.656) 7.291 2.101 ( 4.685 0.000 -3.996) 6.158 2.437 ( 1.516 0.000 3.265) 3.600 2.840 ( 13.185 0.000 2.515) 13.423 3.057 ( 8.104 0.000 -2.713) 8.546 3.072 ( 10.095 0.000 -1.105) 10.155 3.217 ( 6.528 0.000 6.616) 9.294 3.376 ( 1.335 0.000 -4.489) 4.683 3.514 ( 6.320 0.000 0.543) 6.344 3.516 ( 6.410 0.000 -0.313) 6.417 4.255 ( -0.940 -0.000 17.119) 17.145 4.552 ( 6.879 0.000 -19.085) 20.287 5.370 ( -1.079 -0.000 -4.808) 4.927 5.759 ( -2.354 -0.000 4.446) 5.031 7.303 ( -6.653 -0.000 -15.905) 17.240 7.312 ( -11.719 -0.000 15.417) 19.365 8.704 ( -6.167 -0.000 -6.505) 8.964 8.802 ( -8.818 -0.000 12.001) 14.892 9.762 ( 3.592 0.000 -1.828) 4.031 10.066 ( 7.754 0.000 -5.276) 9.379 10.384 ( -0.383 -0.000 6.006) 6.018 10.460 ( 3.652 0.000 -2.293) 4.312 13.175 ( -0.228 -0.000 1.357) 1.376 13.228 ( 0.618 0.000 -3.573) 3.626 13.289 ( -0.235 -0.000 4.763) 4.768 13.448 ( 2.257 0.000 -4.801) 5.305 13.889 ( 0.319 0.000 0.506) 0.598 13.973 ( 0.291 0.000 -0.662) 0.723 ======================= Grid point 216 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -2.576 -0.218 1.461) 2.970 1.355 ( 1.204 1.323 -1.303) 2.213 1.407 ( -1.741 -0.646 -1.896) 2.654 1.440 ( -3.041 1.413 0.657) 3.417 1.679 ( 0.855 -0.514 2.682) 2.861 1.760 ( 6.025 0.088 -0.892) 6.091 1.796 ( 0.119 2.028 -0.538) 2.102 1.878 ( 0.962 -0.774 -4.240) 4.416 2.182 ( 6.979 0.554 -1.733) 7.212 2.215 ( 8.590 0.625 0.090) 8.613 2.449 ( 4.949 6.599 4.210) 9.261 3.047 ( 8.722 0.881 -2.608) 9.147 3.075 ( 7.489 4.922 0.589) 8.981 3.194 ( 2.547 -0.336 0.566) 2.631 3.327 ( -0.155 2.091 0.780) 2.237 3.424 ( 4.303 -6.704 3.171) 8.575 3.579 ( 3.907 2.366 0.366) 4.583 3.620 ( 6.202 -0.007 -0.816) 6.256 4.313 ( 2.707 -0.129 13.985) 14.245 4.635 ( 8.449 -0.526 -17.474) 19.416 5.340 ( -0.826 0.230 -3.351) 3.459 5.705 ( -5.369 0.616 3.451) 6.412 7.137 ( -8.351 1.912 5.132) 9.986 7.218 ( -6.453 -4.067 -5.378) 9.333 8.603 ( -4.348 -0.387 -5.724) 7.198 8.709 ( -9.396 -3.256 9.546) 13.784 9.814 ( 5.257 1.997 -1.142) 5.738 10.160 ( 6.394 0.667 -4.814) 8.032 10.379 ( -2.526 0.366 6.079) 6.593 10.500 ( 2.060 -0.137 -2.269) 3.068 13.177 ( 0.135 0.088 1.288) 1.299 13.228 ( 0.782 0.170 -3.299) 3.395 13.301 ( -0.323 -0.062 4.996) 5.007 13.462 ( 1.622 0.356 -5.331) 5.583 13.901 ( 0.760 -0.287 0.314) 0.871 13.970 ( -0.061 0.350 -0.543) 0.648 ======================= Grid point 217 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.260 -1.200 2.553) 4.311 1.284 ( -3.707 4.627 0.707) 5.971 1.375 ( -2.117 0.259 -1.614) 2.675 1.388 ( -1.232 1.859 -0.386) 2.263 1.691 ( -1.269 -0.643 2.816) 3.155 1.761 ( 1.573 3.265 -1.518) 3.929 1.824 ( 1.667 -0.339 -0.747) 1.858 1.891 ( 2.007 0.792 -4.209) 4.730 2.266 ( 6.276 2.430 -0.656) 6.762 2.312 ( 5.735 1.934 0.824) 6.109 2.440 ( 7.365 10.424 5.228) 13.793 2.998 ( -0.701 10.987 -0.934) 11.049 3.122 ( 2.734 3.290 0.652) 4.328 3.206 ( 0.404 2.585 -0.257) 2.629 3.328 ( 1.892 -0.265 0.639) 2.015 3.527 ( -0.079 -1.731 1.026) 2.014 3.601 ( 2.772 2.294 1.305) 3.828 3.686 ( 4.406 2.036 -2.057) 5.272 4.407 ( 4.165 0.757 9.491) 10.392 4.659 ( 3.816 5.687 -12.782) 14.501 5.341 ( 1.054 -1.669 -1.881) 2.727 5.611 ( -6.398 -0.413 1.240) 6.530 7.042 ( -6.362 -2.047 12.240) 13.946 7.223 ( -0.419 -8.202 -12.014) 14.553 8.563 ( -2.377 -3.358 -2.126) 4.631 8.661 ( -7.105 -5.589 3.996) 9.884 9.862 ( 6.196 3.653 -0.347) 7.201 10.201 ( 2.419 2.928 -3.767) 5.349 10.336 ( -2.679 1.157 6.067) 6.732 10.511 ( 0.148 0.140 -2.803) 2.811 13.183 ( 0.242 0.109 1.498) 1.521 13.230 ( 0.920 0.127 -3.055) 3.193 13.307 ( -0.542 0.258 5.198) 5.232 13.457 ( 0.879 0.822 -5.560) 5.689 13.918 ( 0.744 -0.198 0.188) 0.792 13.960 ( -0.236 0.557 -0.546) 0.815 ======================= Grid point 218 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -2.301 4.772 0.007) 5.298 1.204 ( -4.592 0.828 1.839) 5.016 1.329 ( -1.301 0.827 -0.178) 1.552 1.340 ( -0.853 2.764 0.761) 2.991 1.681 ( -0.431 1.068 2.688) 2.924 1.740 ( 1.145 2.432 -2.206) 3.477 1.824 ( -1.246 0.933 3.461) 3.795 1.903 ( 2.682 0.193 -6.722) 7.240 2.292 ( 4.468 5.735 -0.144) 7.271 2.339 ( 0.944 2.413 1.303) 2.901 2.422 ( 8.677 12.264 5.145) 15.880 2.756 ( -6.400 13.079 -1.427) 14.631 3.110 ( 1.422 3.658 1.578) 4.230 3.156 ( -0.378 4.019 -0.549) 4.074 3.333 ( 3.287 5.492 -0.360) 6.411 3.481 ( -4.457 4.698 -1.294) 6.604 3.583 ( 1.272 4.952 2.600) 5.736 3.687 ( 1.183 3.293 -3.127) 4.693 4.384 ( -6.259 7.420 16.959) 19.541 4.606 ( 7.233 4.391 -16.979) 18.970 5.391 ( 2.284 -1.365 0.864) 2.798 5.553 ( -4.279 -3.796 -2.785) 6.362 7.081 ( -2.103 -7.494 12.925) 15.088 7.339 ( 1.931 -10.662 -12.821) 16.786 8.595 ( -4.985 -6.866 7.776) 11.509 8.685 ( 1.054 -6.744 -7.517) 10.154 9.903 ( 6.456 4.615 0.288) 7.941 10.106 ( -5.262 5.531 -0.118) 7.636 10.331 ( 1.901 1.583 3.435) 4.233 10.482 ( -1.631 1.158 -3.250) 3.816 13.188 ( -0.061 0.160 1.907) 1.914 13.234 ( 0.783 0.022 -2.843) 2.949 13.309 ( -0.450 0.490 5.220) 5.262 13.437 ( 0.437 1.208 -5.576) 5.722 13.928 ( 0.308 0.163 0.274) 0.443 13.947 ( -0.161 0.505 -0.702) 0.879 ======================= Grid point 219 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -1.996 4.352 2.219) 5.277 1.127 ( 2.987 3.265 -1.670) 4.729 1.291 ( -0.265 3.164 2.562) 4.080 1.329 ( 0.721 -1.032 -1.432) 1.907 1.648 ( -0.800 4.737 3.838) 6.148 1.710 ( 0.634 2.568 -2.994) 3.995 1.808 ( -2.310 -1.487 4.571) 5.333 1.925 ( 2.282 -0.302 -6.437) 6.836 2.254 ( 0.389 6.881 2.128) 7.214 2.287 ( 0.836 4.414 -1.504) 4.737 2.394 ( 6.144 11.687 4.550) 13.966 2.482 ( -4.661 11.065 -4.268) 12.743 3.067 ( -0.226 4.907 1.603) 5.167 3.093 ( 0.905 4.714 -0.946) 4.892 3.251 ( -6.614 11.771 2.440) 13.721 3.293 ( 3.417 9.559 -1.436) 10.252 3.531 ( 0.980 6.003 3.464) 7.000 3.609 ( -1.040 6.042 -4.646) 7.692 4.230 ( -7.146 4.158 20.681) 22.272 4.621 ( 6.971 3.269 -18.852) 20.364 5.450 ( 0.853 -2.373 4.476) 5.138 5.553 ( -0.707 -3.116 -6.202) 6.976 7.227 ( -1.167 -10.423 12.305) 16.168 7.476 ( 1.564 -10.026 -13.002) 16.493 8.633 ( -6.009 -8.092 9.634) 13.943 8.831 ( 6.612 -7.661 -10.485) 14.573 9.903 ( -4.641 5.634 3.327) 8.022 9.952 ( 3.246 5.723 -1.352) 6.717 10.349 ( 2.422 2.388 3.175) 4.653 10.417 ( -2.077 2.110 -3.500) 4.585 13.187 ( -0.534 0.214 2.332) 2.402 13.236 ( 0.382 -0.021 -2.377) 2.408 13.311 ( -0.250 0.517 4.487) 4.523 13.410 ( 0.542 1.277 -5.290) 5.469 13.925 ( -0.158 0.512 0.505) 0.736 13.939 ( 0.137 0.209 -0.919) 0.952 ======================= Grid point 220 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 5.103 2.781 0.773) 5.863 1.188 ( 8.744 3.300 -1.147) 9.417 1.274 ( 1.853 1.402 5.237) 5.729 1.353 ( 0.854 -0.484 -2.955) 3.114 1.559 ( -2.576 4.356 4.756) 6.944 1.668 ( 1.043 3.774 -4.757) 6.161 1.815 ( -2.636 -2.550 5.321) 6.463 1.934 ( 0.333 0.717 -3.077) 3.177 2.136 ( -1.342 5.875 -0.891) 6.092 2.219 ( -3.914 9.649 -3.189) 10.890 2.299 ( 4.102 1.465 -0.699) 4.412 2.375 ( 4.500 7.480 0.033) 8.729 2.937 ( -3.560 12.062 4.486) 13.353 3.039 ( -0.243 6.952 1.743) 7.172 3.070 ( 3.976 2.735 -1.399) 5.025 3.220 ( 5.150 10.753 -0.774) 11.948 3.482 ( 1.481 5.923 3.006) 6.805 3.493 ( 0.692 6.353 -3.558) 7.314 4.179 ( -4.350 -0.449 19.096) 19.590 4.615 ( 4.960 3.178 -18.791) 19.692 5.484 ( -2.990 -3.193 -0.971) 4.481 5.594 ( 3.917 -1.121 -0.377) 4.092 7.360 ( -4.353 -9.251 10.785) 14.861 7.579 ( -0.119 -7.769 -11.698) 14.043 8.700 ( -3.579 -8.519 8.702) 12.693 8.983 ( 4.178 -4.320 -9.888) 11.572 9.743 ( -5.289 3.352 3.224) 7.044 9.952 ( 4.580 5.659 -0.993) 7.348 10.338 ( -0.023 2.737 0.693) 2.824 10.376 ( 1.914 1.998 -0.535) 2.818 13.181 ( -0.733 0.082 2.505) 2.611 13.233 ( 0.088 -0.073 -2.160) 2.163 13.308 ( -0.556 0.749 3.229) 3.361 13.394 ( 1.276 0.794 -4.379) 4.630 13.914 ( -0.401 0.689 0.681) 1.048 13.941 ( 0.515 -0.164 -1.031) 1.164 ======================= Grid point 224 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.844 -0.000 2.169) 3.577 1.367 ( -1.997 -0.000 -0.129) 2.002 1.376 ( -1.028 -0.000 -1.905) 2.165 1.418 ( -0.808 -0.000 -1.274) 1.509 1.657 ( -2.972 -0.000 5.312) 6.087 1.793 ( 0.697 0.000 -6.016) 6.056 1.860 ( 2.880 0.000 0.584) 2.938 1.888 ( 2.972 0.000 -3.337) 4.469 2.285 ( 6.033 0.000 0.856) 6.093 2.350 ( 7.331 0.000 -1.368) 7.458 2.632 ( 10.257 0.000 0.660) 10.278 3.157 ( 5.610 0.000 -1.694) 5.860 3.183 ( -0.404 -0.000 2.143) 2.181 3.223 ( 1.616 0.000 0.067) 1.618 3.337 ( -0.857 -0.000 -0.516) 1.001 3.434 ( 1.780 0.000 7.085) 7.306 3.655 ( 3.441 0.000 1.119) 3.619 3.715 ( 5.736 0.000 -2.053) 6.093 4.417 ( 5.953 0.000 10.905) 12.425 4.737 ( 9.546 0.000 -15.430) 18.144 5.323 ( 0.174 0.000 -3.968) 3.971 5.609 ( -8.521 -0.000 3.865) 9.356 7.028 ( -11.649 -0.000 15.888) 19.701 7.089 ( -0.371 -0.000 -16.036) 16.040 8.540 ( -0.732 -0.000 -9.568) 9.596 8.552 ( -10.576 -0.000 11.921) 15.937 9.918 ( 6.177 0.000 0.297) 6.184 10.240 ( 4.342 0.000 -5.486) 6.997 10.355 ( -2.958 -0.000 6.576) 7.210 10.511 ( 0.284 0.000 -2.206) 2.224 13.185 ( 0.249 0.000 1.223) 1.248 13.232 ( 0.796 0.000 -3.195) 3.293 13.311 ( -0.278 -0.000 5.395) 5.402 13.469 ( 0.989 0.000 -5.792) 5.876 13.916 ( 1.132 0.000 0.038) 1.133 13.968 ( -0.386 -0.000 -0.353) 0.523 ======================= Grid point 225 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.817 0.030 2.773) 2.891 1.293 ( -3.334 3.463 0.729) 4.862 1.356 ( -0.708 0.705 -0.642) 1.188 1.399 ( -0.225 1.139 -2.725) 2.962 1.643 ( -2.596 -1.950 5.779) 6.629 1.773 ( -0.332 0.080 -5.868) 5.878 1.883 ( 2.489 2.275 -0.376) 3.393 1.918 ( 1.199 0.247 -1.915) 2.272 2.363 ( 3.629 0.715 2.005) 4.207 2.418 ( 3.492 1.963 -1.339) 4.224 2.748 ( 11.851 8.447 0.264) 14.555 3.056 ( -7.416 6.923 0.980) 10.192 3.200 ( 1.570 2.581 0.780) 3.120 3.234 ( -0.376 1.416 0.025) 1.465 3.375 ( 4.914 -1.205 -0.685) 5.105 3.464 ( -3.178 -3.044 3.928) 5.899 3.694 ( 2.740 2.394 1.951) 4.129 3.766 ( 2.718 1.741 -2.525) 4.098 4.528 ( 4.758 2.450 8.293) 9.870 4.772 ( 3.838 5.102 -11.684) 13.315 5.350 ( 4.243 -1.115 -4.073) 5.986 5.482 ( -9.022 -1.270 2.823) 9.538 6.926 ( -8.664 -3.120 15.100) 17.686 7.105 ( 3.232 -5.076 -14.919) 16.086 8.453 ( -8.167 -2.875 10.803) 13.845 8.547 ( 2.520 -2.743 -10.077) 10.743 10.002 ( 5.997 2.050 1.676) 6.556 10.217 ( -4.086 2.218 -1.356) 4.843 10.360 ( 2.323 0.525 3.018) 3.844 10.497 ( -1.044 0.109 -2.884) 3.069 13.191 ( 0.026 0.037 1.392) 1.392 13.234 ( 0.662 0.003 -2.926) 3.000 13.321 ( -0.322 0.278 5.579) 5.596 13.460 ( 0.471 0.436 -5.936) 5.971 13.932 ( 0.980 0.113 -0.074) 0.990 13.957 ( -0.568 0.221 -0.281) 0.671 ======================= Grid point 226 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.206 3.037 1.956) 3.809 1.221 ( 2.042 2.938 -0.570) 3.623 1.332 ( -0.207 1.280 0.938) 1.600 1.367 ( -0.151 1.855 -1.927) 2.678 1.659 ( -1.344 -2.272 5.489) 6.091 1.756 ( 0.186 0.271 -3.980) 3.993 1.857 ( -0.920 3.785 1.469) 4.163 1.920 ( 1.048 0.143 -4.174) 4.306 2.377 ( -0.401 2.327 1.730) 2.927 2.401 ( 0.213 3.532 -0.705) 3.608 2.761 ( 4.129 12.351 2.468) 13.255 2.813 ( -2.156 11.154 -2.706) 11.679 3.181 ( 1.091 3.398 0.913) 3.683 3.196 ( -0.382 2.693 -0.610) 2.788 3.408 ( -3.730 0.545 3.978) 5.481 3.468 ( 2.227 1.534 -2.100) 3.424 3.681 ( 0.887 4.199 2.483) 4.958 3.734 ( -0.615 3.571 -2.899) 4.641 4.450 ( -6.764 10.168 14.267) 18.780 4.736 ( 5.823 4.043 -14.598) 16.228 5.381 ( -4.617 -2.436 3.538) 6.306 5.469 ( 5.116 -2.465 -5.608) 7.981 6.947 ( -4.906 -8.757 14.068) 17.282 7.222 ( 5.029 -7.466 -14.020) 16.661 8.434 ( -6.057 -5.627 10.414) 13.297 8.644 ( 6.898 -5.145 -11.064) 14.016 10.044 ( -0.088 4.022 3.744) 5.496 10.090 ( -2.285 3.732 -0.386) 4.393 10.399 ( 2.819 1.190 1.977) 3.643 10.460 ( -1.518 0.922 -3.724) 4.126 13.191 ( -0.465 0.095 1.758) 1.821 13.235 ( 0.350 -0.047 -2.588) 2.612 13.327 ( -0.271 0.513 5.480) 5.511 13.440 ( 0.295 0.785 -5.886) 5.946 13.940 ( 0.495 0.481 0.110) 0.699 13.945 ( -0.511 0.182 -0.409) 0.680 ======================= Grid point 227 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.751 3.882 0.832) 4.830 1.247 ( 6.063 1.838 -1.890) 6.611 1.318 ( -0.105 1.273 0.608) 1.415 1.354 ( 1.916 0.788 -0.413) 2.112 1.686 ( -0.414 -0.423 4.710) 4.747 1.723 ( -1.459 3.170 -1.472) 3.787 1.784 ( -2.478 1.731 2.505) 3.926 1.926 ( 1.044 -0.797 -5.680) 5.830 2.284 ( -4.432 4.641 0.824) 6.470 2.355 ( -0.818 2.355 -0.259) 2.507 2.517 ( -5.914 10.851 -4.246) 13.067 2.727 ( 6.137 14.826 1.176) 16.089 3.137 ( -1.438 4.557 -0.034) 4.778 3.146 ( 0.425 3.325 -0.597) 3.405 3.300 ( -3.524 5.741 2.637) 7.234 3.450 ( 2.214 5.769 2.044) 6.508 3.616 ( -1.609 4.967 1.635) 5.471 3.660 ( -0.377 4.160 -2.717) 4.983 4.256 ( -5.976 6.953 17.685) 19.920 4.717 ( 3.836 3.424 -16.227) 17.022 5.378 ( -2.756 -4.078 1.896) 5.275 5.567 ( 5.790 -0.606 -3.744) 6.922 7.067 ( -3.704 -11.264 12.411) 17.165 7.361 ( 4.327 -7.048 -13.081) 15.476 8.477 ( -3.115 -6.912 9.075) 11.825 8.822 ( 8.637 -6.385 -10.787) 15.223 9.876 ( -8.071 5.515 2.995) 10.224 10.088 ( 2.911 3.719 1.494) 4.953 10.410 ( -0.281 2.178 -2.944) 3.673 10.423 ( 1.883 1.428 1.264) 2.679 13.184 ( -0.887 0.120 2.120) 2.301 13.231 ( 0.000 -0.074 -2.150) 2.151 13.329 ( -0.359 0.698 4.703) 4.769 13.418 ( 0.594 0.792 -5.452) 5.541 13.935 ( -0.046 0.565 0.140) 0.584 13.937 ( -0.091 0.135 -0.350) 0.386 ======================= Grid point 228 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 6.535 2.264 -0.844) 6.967 1.311 ( 1.196 0.654 0.833) 1.597 1.348 ( 7.579 -1.040 -1.008) 7.716 1.385 ( 3.152 0.875 -0.684) 3.342 1.597 ( -3.658 5.878 5.831) 9.052 1.700 ( 0.800 1.345 -3.107) 3.479 1.764 ( -1.897 -1.814 4.672) 5.359 1.931 ( 0.004 0.195 -4.618) 4.622 2.158 ( -3.500 3.412 -0.339) 4.900 2.231 ( -7.090 7.397 -2.148) 10.469 2.382 ( 3.504 1.485 -4.544) 5.927 2.570 ( -1.363 12.776 3.187) 13.238 3.028 ( -1.003 5.168 -0.221) 5.269 3.118 ( 1.623 3.286 0.058) 3.666 3.218 ( 4.188 7.692 0.117) 8.759 3.400 ( 0.945 5.449 3.553) 6.573 3.543 ( -0.663 2.901 1.293) 3.245 3.593 ( 1.040 5.229 -0.984) 5.422 4.188 ( -1.892 2.210 16.254) 16.512 4.675 ( 2.428 2.620 -16.545) 16.926 5.399 ( -1.562 -2.830 -0.482) 3.268 5.643 ( 4.016 -0.514 -0.770) 4.122 7.180 ( -4.948 -9.445 10.410) 14.902 7.460 ( 1.537 -5.196 -11.264) 12.500 8.579 ( -0.109 -7.471 8.030) 10.969 8.973 ( 4.429 -2.755 -10.096) 11.364 9.716 ( -4.819 2.836 3.365) 6.526 10.062 ( 0.361 3.851 0.576) 3.911 10.382 ( 1.961 2.396 -1.989) 3.680 10.432 ( 1.303 1.435 1.363) 2.370 13.175 ( -0.924 -0.018 2.218) 2.403 13.225 ( -0.157 -0.116 -1.953) 1.963 13.321 ( -0.625 0.965 3.362) 3.553 13.410 ( 1.253 0.317 -4.372) 4.559 13.924 ( -0.132 0.992 0.635) 1.185 13.939 ( 0.186 -0.506 -0.793) 0.959 ======================= Grid point 233 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.083 -0.000 3.732) 4.274 1.269 ( -2.545 -0.000 -0.037) 2.546 1.363 ( 0.808 -0.000 -0.376) 0.891 1.391 ( -0.594 -0.000 -3.172) 3.228 1.617 ( -1.267 -0.000 7.065) 7.178 1.752 ( 0.279 -0.000 -6.354) 6.360 1.919 ( -0.547 -0.000 -0.439) 0.702 1.924 ( 0.242 -0.000 -0.178) 0.301 2.407 ( 0.310 -0.000 2.652) 2.670 2.450 ( -0.582 -0.000 -1.768) 1.862 2.963 ( -10.637 -0.000 1.505) 10.743 2.991 ( 11.006 -0.000 -1.605) 11.122 3.233 ( -0.021 -0.000 0.642) 0.643 3.245 ( 0.086 -0.000 -0.561) 0.567 3.387 ( -4.783 -0.000 4.141) 6.327 3.446 ( 6.051 -0.000 -1.828) 6.321 3.742 ( 0.170 -0.000 2.431) 2.437 3.790 ( -0.472 -0.000 -2.488) 2.533 4.633 ( 1.143 -0.000 6.707) 6.804 4.791 ( -2.035 -0.000 -9.062) 9.288 5.340 ( -7.829 -0.000 3.828) 8.715 5.435 ( 8.943 -0.000 -5.864) 10.694 6.812 ( -7.438 -0.000 15.431) 17.130 7.110 ( 7.156 -0.000 -14.985) 16.606 8.352 ( -5.586 -0.000 10.861) 12.214 8.570 ( 6.549 -0.000 -11.420) 13.165 10.103 ( 3.926 -0.000 3.801) 5.465 10.142 ( -7.037 -0.000 0.578) 7.061 10.415 ( 3.036 -0.000 1.134) 3.241 10.471 ( -0.962 -0.000 -3.849) 3.968 13.193 ( -0.391 -0.000 1.507) 1.557 13.234 ( 0.320 -0.000 -2.706) 2.725 13.334 ( -0.335 -0.000 5.803) 5.812 13.451 ( 0.209 -0.000 -5.972) 5.976 13.947 ( -0.792 -0.001 -0.167) 0.810 13.947 ( 0.781 0.001 -0.122) 0.791 ======================= Grid point 235 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.642 1.803 0.590) 2.003 1.282 ( 2.361 0.153 2.433) 3.394 1.362 ( 0.326 1.653 -1.504) 2.258 1.379 ( 1.352 0.780 -1.287) 2.023 1.637 ( -0.232 -1.331 6.959) 7.089 1.752 ( 1.335 -0.392 -4.893) 5.087 1.877 ( -2.681 2.644 0.145) 3.768 1.911 ( -1.431 -0.225 -0.663) 1.594 2.376 ( -4.169 1.832 1.781) 4.890 2.400 ( -3.701 0.714 -0.781) 3.849 2.762 ( -9.223 5.428 -0.923) 10.742 3.065 ( 5.782 7.871 -0.216) 9.769 3.215 ( -0.994 1.743 -0.645) 2.108 3.233 ( 0.208 1.381 0.124) 1.402 3.334 ( -4.200 -0.440 3.117) 5.248 3.530 ( 4.025 -0.092 -2.167) 4.572 3.718 ( -2.316 1.564 2.224) 3.571 3.736 ( -3.408 1.988 -2.242) 4.538 4.515 ( -8.329 9.086 10.489) 16.184 4.744 ( -2.652 -2.045 -9.754) 10.313 5.288 ( -1.806 -1.868 1.949) 3.248 5.565 ( 9.228 0.258 -5.338) 10.664 6.808 ( -3.873 -5.795 14.819) 16.377 7.220 ( 8.969 -2.798 -14.324) 17.130 8.344 ( -1.757 -2.501 9.734) 10.203 8.683 ( 9.408 -2.951 -11.618) 15.238 10.004 ( -8.138 2.989 1.754) 8.845 10.145 ( 0.271 0.597 4.680) 4.726 10.450 ( 0.893 0.763 -4.550) 4.699 10.454 ( 1.641 0.599 0.906) 1.968 13.187 ( -0.829 0.069 1.835) 2.015 13.229 ( -0.013 -0.068 -2.476) 2.477 13.343 ( -0.452 0.294 5.790) 5.816 13.434 ( 0.166 0.312 -5.828) 5.838 13.934 ( -0.764 -0.040 -0.312) 0.826 13.954 ( 0.384 0.382 0.118) 0.554 ======================= Grid point 236 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 3.836 1.316 1.619) 4.367 1.314 ( 1.516 -0.379 -0.296) 1.591 1.343 ( 0.778 1.331 -0.101) 1.545 1.401 ( 3.471 0.821 -1.521) 3.877 1.679 ( 0.453 -1.757 5.644) 5.929 1.745 ( -1.414 2.761 -0.723) 3.185 1.778 ( -3.177 2.965 0.533) 4.378 1.900 ( -0.430 -1.734 -2.984) 3.478 2.251 ( -6.961 2.894 0.909) 7.593 2.324 ( -5.226 0.341 -0.258) 5.243 2.548 ( -4.884 7.641 -5.503) 10.608 2.954 ( -3.409 12.528 3.124) 13.354 3.137 ( -3.730 3.358 -0.779) 5.079 3.205 ( 0.363 2.466 -0.157) 2.498 3.292 ( -2.816 -0.495 3.948) 4.875 3.549 ( 1.716 4.063 -0.748) 4.474 3.631 ( -3.211 2.369 -0.361) 4.007 3.663 ( -3.437 0.494 -1.112) 3.647 4.323 ( -4.920 6.280 13.483) 15.666 4.687 ( -3.695 -1.759 -11.192) 11.917 5.315 ( 0.256 -2.399 0.532) 2.470 5.667 ( 7.197 1.700 -4.232) 8.521 6.914 ( -1.790 -8.574 13.712) 16.270 7.355 ( 8.358 -2.340 -13.757) 16.266 8.416 ( 1.766 -3.957 8.237) 9.307 8.859 ( 9.773 -4.413 -11.374) 15.632 9.830 ( -7.873 4.420 2.949) 9.498 10.126 ( -2.862 0.784 3.860) 4.869 10.442 ( 1.949 1.737 -3.759) 4.577 10.464 ( 0.613 0.870 0.933) 1.415 13.177 ( -1.018 0.110 2.158) 2.389 13.222 ( -0.190 -0.127 -2.189) 2.201 13.344 ( -0.750 0.626 5.027) 5.121 13.418 ( 0.424 0.210 -5.206) 5.227 13.926 ( -0.432 -0.356 -0.606) 0.825 13.950 ( 0.068 0.759 0.455) 0.888 ======================= Grid point 237 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 1.140 1.863 1.571) 2.690 1.327 ( 0.086 -0.328 -1.103) 1.154 1.406 ( 5.264 -2.342 0.658) 5.799 1.446 ( 2.928 -0.502 -1.205) 3.206 1.627 ( -4.494 4.703 5.181) 8.316 1.724 ( -1.993 0.476 -0.468) 2.102 1.735 ( 2.269 -1.077 2.615) 3.626 1.914 ( -0.137 -0.645 -3.470) 3.532 2.121 ( -5.288 1.198 0.780) 5.478 2.198 ( -7.274 4.368 -1.444) 8.606 2.423 ( 1.904 1.461 -7.274) 7.660 2.665 ( -9.961 12.036 6.080) 16.765 3.061 ( -0.999 1.803 -0.682) 2.171 3.176 ( 0.237 2.391 -0.666) 2.493 3.280 ( -3.640 -2.758 6.111) 7.629 3.460 ( -0.969 5.882 -0.995) 6.044 3.580 ( -1.257 1.832 1.098) 2.478 3.633 ( 0.544 -0.231 -3.405) 3.456 4.265 ( -0.013 3.157 12.474) 12.867 4.626 ( -3.090 -2.265 -12.095) 12.687 5.353 ( -0.058 -2.428 0.320) 2.449 5.715 ( 4.223 2.664 -2.953) 5.801 7.036 ( -2.105 -7.086 12.755) 14.742 7.448 ( 6.174 0.132 -13.089) 14.473 8.546 ( 3.934 -4.689 7.186) 9.439 8.987 ( 4.320 -0.653 -10.639) 11.501 9.692 ( -3.900 2.082 3.601) 5.702 10.071 ( -3.192 0.689 1.830) 3.743 10.428 ( -0.959 1.337 2.015) 2.601 10.468 ( 2.262 0.985 -3.146) 3.998 13.168 ( -0.791 0.007 2.248) 2.383 13.215 ( -0.072 -0.153 -2.036) 2.043 13.331 ( -1.029 0.857 3.646) 3.884 13.415 ( 0.834 -0.293 -4.077) 4.172 13.928 ( -0.028 -0.660 -0.776) 1.019 13.939 ( -0.068 0.903 0.584) 1.077 ======================= Grid point 243 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.984 0.000 -0.791) 2.136 1.312 ( 0.105 0.000 4.289) 4.290 1.360 ( -0.303 -0.000 -0.628) 0.697 1.431 ( 3.449 0.000 -1.592) 3.799 1.652 ( 0.199 0.000 7.286) 7.288 1.761 ( 1.707 0.000 -5.400) 5.664 1.858 ( -2.683 -0.000 0.473) 2.724 1.858 ( -4.059 -0.000 0.827) 4.143 2.305 ( -7.513 -0.000 -1.221) 7.611 2.313 ( -6.918 -0.000 2.378) 7.316 2.662 ( -7.127 -0.000 -2.209) 7.462 3.130 ( -4.407 -0.000 1.116) 4.546 3.203 ( -2.088 -0.000 0.009) 2.088 3.230 ( -0.904 -0.000 -0.706) 1.147 3.315 ( -0.747 -0.000 1.830) 1.977 3.558 ( 0.131 0.000 -5.029) 5.030 3.676 ( -4.990 -0.000 -1.047) 5.099 3.676 ( -4.602 -0.000 1.870) 4.968 4.428 ( -15.245 -0.000 15.621) 21.827 4.641 ( -1.880 -0.000 -11.605) 11.756 5.287 ( 1.732 0.000 -0.087) 1.734 5.695 ( 8.426 0.000 -5.068) 9.833 6.783 ( 0.346 0.000 15.198) 15.202 7.323 ( 11.260 0.000 -14.207) 18.129 8.363 ( 2.715 0.000 8.544) 8.964 8.788 ( 11.003 0.000 -12.035) 16.306 9.903 ( -8.153 -0.000 1.949) 8.383 10.128 ( -4.364 -0.000 5.890) 7.331 10.468 ( 2.350 0.000 -5.100) 5.615 10.476 ( 0.026 0.000 1.244) 1.244 13.179 ( -1.015 -0.000 2.158) 2.385 13.220 ( -0.178 -0.000 -2.379) 2.386 13.353 ( -0.788 -0.000 5.928) 5.980 13.421 ( 0.041 0.000 -5.663) 5.663 13.920 ( -0.698 -0.000 -0.507) 0.863 13.961 ( 0.115 0.000 0.338) 0.357 ======================= Grid point 244 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 1.596 -0.699 0.056) 1.743 1.310 ( -1.512 -0.125 2.334) 2.784 1.369 ( 1.597 -0.533 1.495) 2.251 1.463 ( 2.392 1.263 -1.164) 2.945 1.673 ( -1.462 -1.344 5.272) 5.634 1.723 ( -5.543 1.565 -0.008) 5.760 1.782 ( -1.104 2.092 0.058) 2.366 1.865 ( 1.359 -1.945 -2.106) 3.173 2.161 ( -8.259 1.505 0.596) 8.416 2.213 ( -7.453 -1.347 0.228) 7.577 2.546 ( -3.137 3.488 -5.430) 7.176 2.991 ( -10.221 8.605 3.106) 13.717 3.080 ( -8.082 1.383 0.254) 8.203 3.209 ( -1.947 -0.635 -0.880) 2.229 3.284 ( -1.829 2.849 3.367) 4.775 3.528 ( -5.778 -4.897 -5.733) 9.499 3.577 ( -5.920 2.155 0.703) 6.339 3.610 ( -2.559 -0.167 -0.054) 2.565 4.273 ( -10.643 -2.371 18.344) 21.340 4.591 ( -0.312 0.273 -13.413) 13.420 5.312 ( 1.122 -0.267 -0.356) 1.206 5.785 ( 5.998 1.442 -4.787) 7.809 6.885 ( 3.471 -3.019 14.721) 15.423 7.460 ( 11.099 0.352 -13.953) 17.833 8.464 ( 5.867 -1.273 7.021) 9.238 8.939 ( 10.294 -1.707 -12.191) 16.047 9.771 ( -6.940 2.468 3.231) 8.044 10.063 ( -6.156 -0.788 4.995) 7.967 10.458 ( -2.081 0.769 1.485) 2.670 10.486 ( 1.769 0.226 -4.402) 4.750 13.170 ( -0.919 0.076 2.480) 2.646 13.212 ( -0.038 -0.091 -2.194) 2.196 13.351 ( -1.220 0.457 5.254) 5.413 13.406 ( 0.057 -0.240 -5.030) 5.036 13.912 ( -0.300 -0.314 -0.842) 0.948 13.959 ( -0.142 0.411 0.587) 0.731 ======================= Grid point 245 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.633 0.180 1.240) 2.916 1.317 ( -0.224 -0.642 1.811) 1.935 1.440 ( 2.030 -2.714 2.002) 3.936 1.454 ( -1.402 0.950 -0.622) 1.804 1.600 ( -7.118 1.056 5.685) 9.170 1.663 ( -3.202 -2.131 -0.687) 3.908 1.784 ( 3.126 0.497 0.565) 3.215 1.899 ( 0.348 -0.008 -2.664) 2.687 2.048 ( -4.353 -0.557 1.449) 4.622 2.118 ( -6.297 0.223 -0.667) 6.336 2.453 ( 0.995 2.997 -7.980) 8.582 2.649 ( -13.399 9.977 6.806) 18.039 2.989 ( -7.160 -4.061 0.488) 8.246 3.173 ( -2.885 -0.041 -1.739) 3.369 3.212 ( -3.838 2.072 4.767) 6.461 3.448 ( -7.223 -1.644 -0.093) 7.409 3.503 ( -4.717 -3.525 -0.958) 5.966 3.611 ( -0.355 -2.719 -3.947) 4.806 4.255 ( -6.064 -4.830 17.499) 19.140 4.545 ( 1.106 1.227 -14.725) 14.817 5.332 ( 0.365 -1.031 0.657) 1.276 5.808 ( 2.880 3.273 -4.536) 6.292 7.024 ( 3.815 -1.817 13.847) 14.478 7.560 ( 9.330 2.926 -13.564) 16.721 8.607 ( 6.729 -1.750 6.128) 9.268 9.030 ( 4.195 1.904 -11.453) 12.345 9.674 ( -2.476 1.081 3.957) 4.791 10.003 ( -5.040 -2.117 2.964) 6.218 10.403 ( -4.163 0.684 2.674) 4.994 10.493 ( 0.931 -0.151 -4.193) 4.298 13.165 ( -0.526 0.008 2.574) 2.627 13.209 ( 0.369 -0.116 -2.082) 2.117 13.333 ( -1.466 0.749 3.782) 4.125 13.403 ( 0.212 -0.852 -3.821) 3.921 13.915 ( 0.131 -0.677 -1.078) 1.280 13.950 ( -0.322 0.673 0.676) 1.006 ======================= Grid point 252 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.808 -0.000 2.779) 3.951 1.305 ( 0.369 0.000 0.161) 0.402 1.389 ( 0.717 0.000 2.337) 2.444 1.476 ( -2.996 -0.000 3.056) 4.280 1.617 ( -9.436 -0.000 1.033) 9.493 1.622 ( -3.516 -0.000 0.022) 3.516 1.801 ( 1.560 0.000 2.526) 2.968 1.890 ( 3.784 0.000 -3.803) 5.365 2.054 ( -7.078 -0.000 0.750) 7.118 2.091 ( -5.752 -0.000 0.111) 5.753 2.525 ( -0.385 -0.000 -5.627) 5.640 2.888 ( -10.376 -0.000 -2.176) 10.601 2.994 ( -10.779 -0.000 3.802) 11.430 3.038 ( -14.472 -0.000 2.064) 14.618 3.290 ( -2.700 -0.000 4.200) 4.993 3.357 ( -6.723 -0.000 -7.281) 9.910 3.500 ( -7.627 -0.000 1.413) 7.757 3.521 ( -5.178 -0.000 -0.203) 5.182 4.161 ( -6.629 -0.000 19.957) 21.030 4.574 ( 2.159 0.000 -15.111) 15.265 5.325 ( 0.568 0.000 0.291) 0.639 5.854 ( 3.265 0.000 -5.350) 6.268 7.002 ( 7.455 0.000 14.668) 16.454 7.600 ( 11.098 0.000 -13.881) 17.772 8.586 ( 7.997 0.000 5.629) 9.779 9.049 ( 9.070 0.000 -12.979) 15.834 9.705 ( -4.742 -0.000 3.979) 6.190 9.961 ( -7.558 -0.000 5.383) 9.279 10.419 ( -4.162 -0.000 1.946) 4.594 10.486 ( -0.119 -0.000 -4.482) 4.484 13.165 ( -0.679 -0.000 2.814) 2.894 13.207 ( 0.414 0.000 -2.093) 2.134 13.348 ( -1.575 -0.000 5.308) 5.537 13.387 ( -0.199 -0.000 -5.084) 5.087 13.905 ( 0.111 0.000 -1.171) 1.176 13.959 ( -0.442 -0.000 0.706) 0.833 ======================= Grid point 253 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -3.531 0.801 2.645) 4.484 1.298 ( -2.334 -0.720 2.479) 3.480 1.389 ( -4.935 -1.877 1.333) 5.445 1.400 ( -7.818 -1.367 3.951) 8.866 1.486 ( -5.651 -0.963 3.671) 6.808 1.592 ( -1.448 -1.355 -2.934) 3.541 1.846 ( 3.597 0.466 1.565) 3.951 1.915 ( 0.778 1.933 -3.011) 3.661 1.988 ( -2.149 -2.075 2.009) 3.600 2.034 ( -2.481 -0.687 -0.907) 2.729 2.492 ( 0.784 3.834 -7.603) 8.551 2.581 ( -15.641 10.035 7.378) 19.995 2.791 ( -8.230 -5.019 -2.252) 9.899 2.995 ( -12.071 -11.946 3.060) 17.256 3.209 ( -4.832 3.484 3.672) 6.998 3.247 ( -7.849 -1.582 -4.544) 9.206 3.389 ( -5.859 -2.102 1.343) 6.368 3.500 ( -4.125 -5.907 -2.177) 7.526 4.163 ( -3.741 -2.551 18.801) 19.338 4.561 ( 2.985 1.250 -15.817) 16.145 5.338 ( 0.931 -0.154 1.970) 2.184 5.852 ( 0.095 1.723 -5.812) 6.063 7.162 ( 7.969 1.250 13.885) 16.058 7.707 ( 9.213 2.276 -13.706) 16.670 8.726 ( 7.374 0.013 5.099) 8.966 9.099 ( 3.798 3.435 -12.338) 13.358 9.670 ( -0.452 0.103 3.986) 4.013 9.883 ( -6.279 -3.218 4.013) 8.117 10.345 ( -5.257 0.633 2.692) 5.940 10.466 ( -1.545 -1.042 -4.115) 4.518 13.166 ( -0.357 -0.053 2.908) 2.931 13.212 ( 0.907 -0.040 -2.070) 2.260 13.331 ( -1.567 0.746 3.848) 4.222 13.378 ( -0.172 -1.036 -3.840) 3.981 13.909 ( 0.478 -0.360 -1.383) 1.507 13.950 ( -0.707 0.279 0.711) 1.041 ======================= Grid point 261 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -10.041 -0.000 3.029) 10.488 1.220 ( -12.554 -0.000 6.802) 14.278 1.241 ( 0.944 0.000 -1.005) 1.379 1.306 ( -5.906 -0.000 6.320) 8.650 1.462 ( 1.495 0.000 -0.018) 1.496 1.560 ( -0.733 -0.000 -2.477) 2.583 1.904 ( -0.524 -0.000 5.024) 5.051 1.935 ( 1.216 0.000 0.532) 1.327 1.957 ( 2.172 0.000 -6.544) 6.895 2.017 ( 0.252 0.000 -0.034) 0.254 2.440 ( -14.981 -0.000 6.698) 16.410 2.509 ( -11.411 -0.000 -3.306) 11.880 2.593 ( 0.197 0.000 -0.407) 0.452 2.721 ( -6.169 -0.000 2.755) 6.756 3.112 ( -7.376 -0.000 -6.493) 9.826 3.153 ( -7.484 -0.000 3.633) 8.319 3.291 ( -4.133 -0.000 0.503) 4.163 3.378 ( -4.042 -0.000 0.066) 4.043 4.164 ( -1.665 -0.000 17.830) 17.908 4.571 ( 3.065 0.000 -16.246) 16.532 5.370 ( 2.418 0.000 3.763) 4.473 5.825 ( -2.622 -0.000 -6.725) 7.218 7.341 ( 7.717 0.000 13.756) 15.773 7.813 ( 7.110 0.000 -14.107) 15.798 8.843 ( 5.261 0.000 4.873) 7.171 9.140 ( 1.963 0.000 -12.103) 12.262 9.690 ( 1.505 0.000 2.897) 3.265 9.774 ( -5.221 -0.000 3.900) 6.517 10.278 ( -4.826 -0.000 3.566) 6.001 10.410 ( -2.712 -0.000 -3.951) 4.792 13.169 ( -0.269 -0.000 3.014) 3.026 13.222 ( 1.142 0.000 -2.198) 2.477 13.325 ( -1.462 -0.000 3.980) 4.240 13.356 ( 0.130 0.000 -4.102) 4.104 13.912 ( 0.772 0.000 -1.566) 1.746 13.940 ( -1.016 -0.000 0.700) 1.234 =================== 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 3/16128 10.0 101.621 88.033 134.810 -0.000 -18.115 -0.000 3/16128 20.0 29.445 22.309 32.820 -0.000 -5.083 -0.000 3/16128 30.0 16.590 12.650 16.703 -0.000 -2.847 -0.000 3/16128 40.0 11.656 9.036 11.213 -0.000 -2.035 -0.000 3/16128 50.0 9.097 7.146 8.622 -0.000 -1.631 -0.000 3/16128 60.0 7.517 5.961 7.135 -0.000 -1.386 -0.000 3/16128 70.0 6.435 5.136 6.160 -0.000 -1.216 -0.000 3/16128 80.0 5.641 4.524 5.459 -0.000 -1.089 -0.000 3/16128 90.0 5.030 4.048 4.922 -0.000 -0.989 -0.000 3/16128 100.0 4.544 3.666 4.493 -0.000 -0.907 -0.000 3/16128 110.0 4.147 3.352 4.139 -0.000 -0.838 -0.000 3/16128 120.0 3.816 3.089 3.841 -0.000 -0.779 -0.000 3/16128 130.0 3.535 2.865 3.584 -0.000 -0.728 -0.000 3/16128 140.0 3.294 2.672 3.361 -0.000 -0.684 -0.000 3/16128 150.0 3.084 2.504 3.165 -0.000 -0.645 -0.000 3/16128 160.0 2.899 2.355 2.991 -0.000 -0.610 -0.000 3/16128 170.0 2.736 2.224 2.836 -0.000 -0.578 -0.000 3/16128 180.0 2.590 2.106 2.695 -0.000 -0.550 -0.000 3/16128 190.0 2.459 2.000 2.568 -0.000 -0.524 -0.000 3/16128 200.0 2.341 1.904 2.453 -0.000 -0.501 -0.000 3/16128 210.0 2.233 1.817 2.347 -0.000 -0.479 -0.000 3/16128 220.0 2.135 1.738 2.250 -0.000 -0.460 -0.000 3/16128 230.0 2.045 1.665 2.161 -0.000 -0.441 -0.000 3/16128 240.0 1.963 1.598 2.078 -0.000 -0.425 -0.000 3/16128 250.0 1.887 1.536 2.001 -0.000 -0.409 -0.000 3/16128 260.0 1.816 1.479 1.930 -0.000 -0.394 -0.000 3/16128 270.0 1.751 1.426 1.864 -0.000 -0.381 -0.000 3/16128 280.0 1.690 1.377 1.802 -0.000 -0.368 -0.000 3/16128 290.0 1.633 1.331 1.744 -0.000 -0.356 -0.000 3/16128 300.0 1.580 1.287 1.689 -0.000 -0.345 -0.000 3/16128 310.0 1.531 1.247 1.638 -0.000 -0.335 -0.000 3/16128 320.0 1.484 1.209 1.589 -0.000 -0.325 -0.000 3/16128 330.0 1.440 1.173 1.544 -0.000 -0.316 -0.000 3/16128 340.0 1.398 1.140 1.501 -0.000 -0.307 -0.000 3/16128 350.0 1.359 1.108 1.460 -0.000 -0.299 -0.000 3/16128 360.0 1.322 1.078 1.421 -0.000 -0.291 -0.000 3/16128 370.0 1.287 1.049 1.385 -0.000 -0.283 -0.000 3/16128 380.0 1.254 1.022 1.350 -0.000 -0.276 -0.000 3/16128 390.0 1.222 0.996 1.317 -0.000 -0.269 -0.000 3/16128 400.0 1.192 0.972 1.285 -0.000 -0.263 -0.000 3/16128 410.0 1.164 0.949 1.255 -0.000 -0.257 -0.000 3/16128 420.0 1.136 0.926 1.226 -0.000 -0.251 -0.000 3/16128 430.0 1.110 0.905 1.199 -0.000 -0.245 -0.000 3/16128 440.0 1.086 0.885 1.172 -0.000 -0.240 -0.000 3/16128 450.0 1.062 0.866 1.147 -0.000 -0.235 -0.000 3/16128 460.0 1.039 0.847 1.123 -0.000 -0.230 -0.000 3/16128 470.0 1.017 0.829 1.100 -0.000 -0.225 -0.000 3/16128 480.0 0.996 0.812 1.078 -0.000 -0.220 -0.000 3/16128 490.0 0.976 0.796 1.056 -0.000 -0.216 -0.000 3/16128 500.0 0.957 0.780 1.036 -0.000 -0.212 -0.000 3/16128 510.0 0.939 0.765 1.016 -0.000 -0.208 -0.000 3/16128 520.0 0.921 0.751 0.997 -0.000 -0.204 -0.000 3/16128 530.0 0.904 0.737 0.978 -0.000 -0.200 -0.000 3/16128 540.0 0.887 0.723 0.961 -0.000 -0.197 -0.000 3/16128 550.0 0.871 0.710 0.944 -0.000 -0.193 -0.000 3/16128 560.0 0.856 0.698 0.927 -0.000 -0.190 -0.000 3/16128 570.0 0.841 0.686 0.911 -0.000 -0.187 -0.000 3/16128 580.0 0.826 0.674 0.896 -0.000 -0.183 -0.000 3/16128 590.0 0.813 0.663 0.881 -0.000 -0.180 -0.000 3/16128 600.0 0.799 0.652 0.867 -0.000 -0.177 -0.000 3/16128 610.0 0.786 0.641 0.853 -0.000 -0.175 -0.000 3/16128 620.0 0.774 0.631 0.839 -0.000 -0.172 -0.000 3/16128 630.0 0.761 0.621 0.826 -0.000 -0.169 -0.000 3/16128 640.0 0.750 0.611 0.814 -0.000 -0.167 -0.000 3/16128 650.0 0.738 0.602 0.801 -0.000 -0.164 -0.000 3/16128 660.0 0.727 0.593 0.789 -0.000 -0.162 -0.000 3/16128 670.0 0.716 0.584 0.778 -0.000 -0.159 -0.000 3/16128 680.0 0.706 0.576 0.767 -0.000 -0.157 -0.000 3/16128 690.0 0.696 0.567 0.756 -0.000 -0.155 -0.000 3/16128 700.0 0.686 0.559 0.745 -0.000 -0.152 -0.000 3/16128 710.0 0.676 0.552 0.735 -0.000 -0.150 -0.000 3/16128 720.0 0.667 0.544 0.725 -0.000 -0.148 -0.000 3/16128 730.0 0.658 0.537 0.715 -0.000 -0.146 -0.000 3/16128 740.0 0.649 0.529 0.705 -0.000 -0.144 -0.000 3/16128 750.0 0.641 0.522 0.696 -0.000 -0.142 -0.000 3/16128 760.0 0.632 0.516 0.687 -0.000 -0.141 -0.000 3/16128 770.0 0.624 0.509 0.678 -0.000 -0.139 -0.000 3/16128 780.0 0.616 0.503 0.670 -0.000 -0.137 -0.000 3/16128 790.0 0.608 0.496 0.661 -0.000 -0.135 -0.000 3/16128 800.0 0.601 0.490 0.653 -0.000 -0.134 -0.000 3/16128 810.0 0.593 0.484 0.645 -0.000 -0.132 -0.000 3/16128 820.0 0.586 0.478 0.637 -0.000 -0.130 -0.000 3/16128 830.0 0.579 0.472 0.630 -0.000 -0.129 -0.000 3/16128 840.0 0.572 0.467 0.622 -0.000 -0.127 -0.000 3/16128 850.0 0.566 0.461 0.615 -0.000 -0.126 -0.000 3/16128 860.0 0.559 0.456 0.608 -0.000 -0.124 -0.000 3/16128 870.0 0.553 0.451 0.601 -0.000 -0.123 -0.000 3/16128 880.0 0.547 0.446 0.594 -0.000 -0.122 -0.000 3/16128 890.0 0.540 0.441 0.588 -0.000 -0.120 -0.000 3/16128 900.0 0.534 0.436 0.581 -0.000 -0.119 -0.000 3/16128 910.0 0.529 0.431 0.575 -0.000 -0.118 -0.000 3/16128 920.0 0.523 0.427 0.569 -0.000 -0.116 -0.000 3/16128 930.0 0.517 0.422 0.563 -0.000 -0.115 -0.000 3/16128 940.0 0.512 0.418 0.557 -0.000 -0.114 -0.000 3/16128 950.0 0.507 0.413 0.551 -0.000 -0.113 -0.000 3/16128 960.0 0.501 0.409 0.545 -0.000 -0.112 -0.000 3/16128 970.0 0.496 0.405 0.540 -0.000 -0.110 -0.000 3/16128 980.0 0.491 0.401 0.534 -0.000 -0.109 -0.000 3/16128 990.0 0.486 0.397 0.529 -0.000 -0.108 -0.000 3/16128 1000.0 0.481 0.393 0.524 -0.000 -0.107 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:59:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|