----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:28:48]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.542746620952174 0.000000000000000 0.000000000000000 b 0.000000000000000 3.474700330000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): *1 O 0.21981139382581 0.25000000000000 0.59955934156316 15.999 2 O 0.78018860617419 0.75000000000000 0.40044065843684 15.999 *3 O 0.47902558981920 0.25000000000000 0.17077483519650 15.999 4 O 0.52097441018080 0.75000000000000 0.82922516480350 15.999 *5 O 0.63506457410413 0.25000000000000 0.61186153323715 15.999 6 O 0.36493542589587 0.75000000000000 0.38813846676285 15.999 *7 Tl 0.42456186159250 0.75000000000000 0.61006075316775 204.383 8 Tl 0.57543813840750 0.25000000000000 0.38993924683225 204.383 *9 Tl 0.06742287713441 0.25000000000000 0.36604305967085 204.383 10 Tl 0.93257712286559 0.75000000000000 0.63395694032915 204.383 *11 Tl 0.29876758681356 0.25000000000000 0.85525098635277 204.383 12 Tl 0.70123241318644 0.75000000000000 0.14474901364723 204.383 *13 Tl 0.77417658179587 0.25000000000000 0.86900138191574 204.383 14 Tl 0.22582341820413 0.75000000000000 0.13099861808426 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.542746620952174 0.000000000000000 0.000000000000000 b 0.000000000000000 3.474700330000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): *1 O 0.21981139382581 0.25000000000000 0.59955934156316 15.999 > 1 2 O 0.78018860617419 0.75000000000000 0.40044065843684 15.999 > 2 *3 O 0.47902558981920 0.25000000000000 0.17077483519650 15.999 > 3 4 O 0.52097441018080 0.75000000000000 0.82922516480350 15.999 > 4 *5 O 0.63506457410413 0.25000000000000 0.61186153323715 15.999 > 5 6 O 0.36493542589587 0.75000000000000 0.38813846676285 15.999 > 6 *7 Tl 0.42456186159250 0.75000000000000 0.61006075316775 204.383 > 7 8 Tl 0.57543813840750 0.25000000000000 0.38993924683225 204.383 > 8 *9 Tl 0.06742287713441 0.25000000000000 0.36604305967085 204.383 > 9 10 Tl 0.93257712286559 0.75000000000000 0.63395694032915 204.383 > 10 *11 Tl 0.29876758681356 0.25000000000000 0.85525098635277 204.383 > 11 12 Tl 0.70123241318644 0.75000000000000 0.14474901364723 204.383 > 12 *13 Tl 0.77417658179587 0.25000000000000 0.86900138191574 204.383 > 13 14 Tl 0.22582341820413 0.75000000000000 0.13099861808426 204.383 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.085493241904349 0.000000000000000 0.000000000000000 b 0.000000000000000 13.898801320000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): *1 O 0.10990569691291 0.06250000000000 0.59955934156316 15.999 > 1 2 O 0.60990569691291 0.06250000000000 0.59955934156316 15.999 > 1 3 O 0.10990569691291 0.31250000000000 0.59955934156316 15.999 > 1 4 O 0.60990569691291 0.31250000000000 0.59955934156316 15.999 > 1 5 O 0.10990569691291 0.56250000000000 0.59955934156316 15.999 > 1 6 O 0.60990569691291 0.56250000000000 0.59955934156316 15.999 > 1 7 O 0.10990569691291 0.81250000000000 0.59955934156316 15.999 > 1 8 O 0.60990569691291 0.81250000000000 0.59955934156316 15.999 > 1 9 O 0.39009430308709 0.18750000000000 0.40044065843684 15.999 > 2 10 O 0.89009430308709 0.18750000000000 0.40044065843684 15.999 > 2 11 O 0.39009430308709 0.43750000000000 0.40044065843684 15.999 > 2 12 O 0.89009430308709 0.43750000000000 0.40044065843684 15.999 > 2 13 O 0.39009430308709 0.68750000000000 0.40044065843684 15.999 > 2 14 O 0.89009430308709 0.68750000000000 0.40044065843684 15.999 > 2 15 O 0.39009430308709 0.93750000000000 0.40044065843684 15.999 > 2 16 O 0.89009430308709 0.93750000000000 0.40044065843684 15.999 > 2 *17 O 0.23951279490960 0.06250000000000 0.17077483519650 15.999 > 3 18 O 0.73951279490960 0.06250000000000 0.17077483519650 15.999 > 3 19 O 0.23951279490960 0.31250000000000 0.17077483519650 15.999 > 3 20 O 0.73951279490960 0.31250000000000 0.17077483519650 15.999 > 3 21 O 0.23951279490960 0.56250000000000 0.17077483519650 15.999 > 3 22 O 0.73951279490960 0.56250000000000 0.17077483519650 15.999 > 3 23 O 0.23951279490960 0.81250000000000 0.17077483519650 15.999 > 3 24 O 0.73951279490960 0.81250000000000 0.17077483519650 15.999 > 3 25 O 0.26048720509040 0.18750000000000 0.82922516480350 15.999 > 4 26 O 0.76048720509040 0.18750000000000 0.82922516480350 15.999 > 4 27 O 0.26048720509040 0.43750000000000 0.82922516480350 15.999 > 4 28 O 0.76048720509040 0.43750000000000 0.82922516480350 15.999 > 4 29 O 0.26048720509040 0.68750000000000 0.82922516480350 15.999 > 4 30 O 0.76048720509040 0.68750000000000 0.82922516480350 15.999 > 4 31 O 0.26048720509040 0.93750000000000 0.82922516480350 15.999 > 4 32 O 0.76048720509040 0.93750000000000 0.82922516480350 15.999 > 4 *33 O 0.31753228705206 0.06250000000000 0.61186153323715 15.999 > 5 34 O 0.81753228705206 0.06250000000000 0.61186153323715 15.999 > 5 35 O 0.31753228705206 0.31250000000000 0.61186153323715 15.999 > 5 36 O 0.81753228705206 0.31250000000000 0.61186153323715 15.999 > 5 37 O 0.31753228705206 0.56250000000000 0.61186153323715 15.999 > 5 38 O 0.81753228705206 0.56250000000000 0.61186153323715 15.999 > 5 39 O 0.31753228705206 0.81250000000000 0.61186153323715 15.999 > 5 40 O 0.81753228705206 0.81250000000000 0.61186153323715 15.999 > 5 41 O 0.18246771294794 0.18750000000000 0.38813846676285 15.999 > 6 42 O 0.68246771294794 0.18750000000000 0.38813846676285 15.999 > 6 43 O 0.18246771294794 0.43750000000000 0.38813846676285 15.999 > 6 44 O 0.68246771294794 0.43750000000000 0.38813846676285 15.999 > 6 45 O 0.18246771294794 0.68750000000000 0.38813846676285 15.999 > 6 46 O 0.68246771294794 0.68750000000000 0.38813846676285 15.999 > 6 47 O 0.18246771294794 0.93750000000000 0.38813846676285 15.999 > 6 48 O 0.68246771294794 0.93750000000000 0.38813846676285 15.999 > 6 *49 Tl 0.21228093079625 0.18750000000000 0.61006075316775 204.383 > 7 50 Tl 0.71228093079625 0.18750000000000 0.61006075316775 204.383 > 7 51 Tl 0.21228093079625 0.43750000000000 0.61006075316775 204.383 > 7 52 Tl 0.71228093079625 0.43750000000000 0.61006075316775 204.383 > 7 53 Tl 0.21228093079625 0.68750000000000 0.61006075316775 204.383 > 7 54 Tl 0.71228093079625 0.68750000000000 0.61006075316775 204.383 > 7 55 Tl 0.21228093079625 0.93750000000000 0.61006075316775 204.383 > 7 56 Tl 0.71228093079625 0.93750000000000 0.61006075316775 204.383 > 7 57 Tl 0.28771906920375 0.06250000000000 0.38993924683225 204.383 > 8 58 Tl 0.78771906920375 0.06250000000000 0.38993924683225 204.383 > 8 59 Tl 0.28771906920375 0.31250000000000 0.38993924683225 204.383 > 8 60 Tl 0.78771906920375 0.31250000000000 0.38993924683225 204.383 > 8 61 Tl 0.28771906920375 0.56250000000000 0.38993924683225 204.383 > 8 62 Tl 0.78771906920375 0.56250000000000 0.38993924683225 204.383 > 8 63 Tl 0.28771906920375 0.81250000000000 0.38993924683225 204.383 > 8 64 Tl 0.78771906920375 0.81250000000000 0.38993924683225 204.383 > 8 *65 Tl 0.03371143856721 0.06250000000000 0.36604305967085 204.383 > 9 66 Tl 0.53371143856721 0.06250000000000 0.36604305967085 204.383 > 9 67 Tl 0.03371143856721 0.31250000000000 0.36604305967085 204.383 > 9 68 Tl 0.53371143856721 0.31250000000000 0.36604305967085 204.383 > 9 69 Tl 0.03371143856721 0.56250000000000 0.36604305967085 204.383 > 9 70 Tl 0.53371143856721 0.56250000000000 0.36604305967085 204.383 > 9 71 Tl 0.03371143856721 0.81250000000000 0.36604305967085 204.383 > 9 72 Tl 0.53371143856721 0.81250000000000 0.36604305967085 204.383 > 9 73 Tl 0.46628856143280 0.18750000000000 0.63395694032915 204.383 > 10 74 Tl 0.96628856143279 0.18750000000000 0.63395694032915 204.383 > 10 75 Tl 0.46628856143280 0.43750000000000 0.63395694032915 204.383 > 10 76 Tl 0.96628856143279 0.43750000000000 0.63395694032915 204.383 > 10 77 Tl 0.46628856143280 0.68750000000000 0.63395694032915 204.383 > 10 78 Tl 0.96628856143279 0.68750000000000 0.63395694032915 204.383 > 10 79 Tl 0.46628856143280 0.93750000000000 0.63395694032915 204.383 > 10 80 Tl 0.96628856143279 0.93750000000000 0.63395694032915 204.383 > 10 *81 Tl 0.14938379340678 0.06250000000000 0.85525098635277 204.383 > 11 82 Tl 0.64938379340678 0.06250000000000 0.85525098635277 204.383 > 11 83 Tl 0.14938379340678 0.31250000000000 0.85525098635277 204.383 > 11 84 Tl 0.64938379340678 0.31250000000000 0.85525098635277 204.383 > 11 85 Tl 0.14938379340678 0.56250000000000 0.85525098635277 204.383 > 11 86 Tl 0.64938379340678 0.56250000000000 0.85525098635277 204.383 > 11 87 Tl 0.14938379340678 0.81250000000000 0.85525098635277 204.383 > 11 88 Tl 0.64938379340678 0.81250000000000 0.85525098635277 204.383 > 11 89 Tl 0.35061620659322 0.18750000000000 0.14474901364723 204.383 > 12 90 Tl 0.85061620659322 0.18750000000000 0.14474901364723 204.383 > 12 91 Tl 0.35061620659322 0.43750000000000 0.14474901364723 204.383 > 12 92 Tl 0.85061620659322 0.43750000000000 0.14474901364723 204.383 > 12 93 Tl 0.35061620659322 0.68750000000000 0.14474901364723 204.383 > 12 94 Tl 0.85061620659322 0.68750000000000 0.14474901364723 204.383 > 12 95 Tl 0.35061620659322 0.93750000000000 0.14474901364723 204.383 > 12 96 Tl 0.85061620659322 0.93750000000000 0.14474901364723 204.383 > 12 *97 Tl 0.38708829089794 0.06250000000000 0.86900138191574 204.383 > 13 98 Tl 0.88708829089794 0.06250000000000 0.86900138191574 204.383 > 13 99 Tl 0.38708829089794 0.31250000000000 0.86900138191574 204.383 > 13 100 Tl 0.88708829089794 0.31250000000000 0.86900138191574 204.383 > 13 101 Tl 0.38708829089794 0.56250000000000 0.86900138191574 204.383 > 13 102 Tl 0.88708829089794 0.56250000000000 0.86900138191574 204.383 > 13 103 Tl 0.38708829089794 0.81250000000000 0.86900138191574 204.383 > 13 104 Tl 0.88708829089794 0.81250000000000 0.86900138191574 204.383 > 13 105 Tl 0.11291170910206 0.18750000000000 0.13099861808426 204.383 > 14 106 Tl 0.61291170910206 0.18750000000000 0.13099861808426 204.383 > 14 107 Tl 0.11291170910206 0.43750000000000 0.13099861808426 204.383 > 14 108 Tl 0.61291170910206 0.43750000000000 0.13099861808426 204.383 > 14 109 Tl 0.11291170910206 0.68750000000000 0.13099861808426 204.383 > 14 110 Tl 0.61291170910206 0.68750000000000 0.13099861808426 204.383 > 14 111 Tl 0.11291170910206 0.93750000000000 0.13099861808426 204.383 > 14 112 Tl 0.61291170910206 0.93750000000000 0.13099861808426 204.383 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7659549 0.0000000 0.0016204 0.0000000 10.1511533 0.0000000 0.0016208 0.0000000 10.3419207 -------------------------- Born effective charges -------------------------- 1 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 2 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 3 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 4 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 5 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 6 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 7 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 8 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 9 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 10 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 11 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 12 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 13 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 14 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1884), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 477), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 3.026 Solver_block: 200 / 480 - Time: 3.034 Solver_block: 300 / 480 - Time: 3.037 Solver_block: 400 / 480 - Time: 3.037 Solver_block: 480 / 480 - Time: 2.456 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.643 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1884), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:29:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:29:24]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.542746620952174 0.000000000000000 0.000000000000000 b 0.000000000000000 3.474700330000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): 1 O 0.21981139382581 0.25000000000000 0.59955934156316 15.999 2 O 0.78018860617419 0.75000000000000 0.40044065843684 15.999 3 O 0.47902558981920 0.25000000000000 0.17077483519650 15.999 4 O 0.52097441018080 0.75000000000000 0.82922516480350 15.999 5 O 0.63506457410413 0.25000000000000 0.61186153323715 15.999 6 O 0.36493542589587 0.75000000000000 0.38813846676285 15.999 7 Tl 0.42456186159250 0.75000000000000 0.61006075316775 204.383 8 Tl 0.57543813840750 0.25000000000000 0.38993924683225 204.383 9 Tl 0.06742287713441 0.25000000000000 0.36604305967085 204.383 10 Tl 0.93257712286559 0.75000000000000 0.63395694032915 204.383 11 Tl 0.29876758681356 0.25000000000000 0.85525098635277 204.383 12 Tl 0.70123241318644 0.75000000000000 0.14474901364723 204.383 13 Tl 0.77417658179587 0.25000000000000 0.86900138191574 204.383 14 Tl 0.22582341820413 0.75000000000000 0.13099861808426 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.085493241904349 0.000000000000000 0.000000000000000 b 0.000000000000000 13.898801320000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): 1 O 0.10990569691291 0.06250000000000 0.59955934156316 15.999 > 1 2 O 0.60990569691291 0.06250000000000 0.59955934156316 15.999 > 1 3 O 0.10990569691291 0.31250000000000 0.59955934156316 15.999 > 1 4 O 0.60990569691291 0.31250000000000 0.59955934156316 15.999 > 1 5 O 0.10990569691291 0.56250000000000 0.59955934156316 15.999 > 1 6 O 0.60990569691291 0.56250000000000 0.59955934156316 15.999 > 1 7 O 0.10990569691291 0.81250000000000 0.59955934156316 15.999 > 1 8 O 0.60990569691291 0.81250000000000 0.59955934156316 15.999 > 1 9 O 0.39009430308709 0.18750000000000 0.40044065843684 15.999 > 9 10 O 0.89009430308709 0.18750000000000 0.40044065843684 15.999 > 9 11 O 0.39009430308709 0.43750000000000 0.40044065843684 15.999 > 9 12 O 0.89009430308709 0.43750000000000 0.40044065843684 15.999 > 9 13 O 0.39009430308709 0.68750000000000 0.40044065843684 15.999 > 9 14 O 0.89009430308709 0.68750000000000 0.40044065843684 15.999 > 9 15 O 0.39009430308709 0.93750000000000 0.40044065843684 15.999 > 9 16 O 0.89009430308709 0.93750000000000 0.40044065843684 15.999 > 9 17 O 0.23951279490960 0.06250000000000 0.17077483519650 15.999 > 17 18 O 0.73951279490960 0.06250000000000 0.17077483519650 15.999 > 17 19 O 0.23951279490960 0.31250000000000 0.17077483519650 15.999 > 17 20 O 0.73951279490960 0.31250000000000 0.17077483519650 15.999 > 17 21 O 0.23951279490960 0.56250000000000 0.17077483519650 15.999 > 17 22 O 0.73951279490960 0.56250000000000 0.17077483519650 15.999 > 17 23 O 0.23951279490960 0.81250000000000 0.17077483519650 15.999 > 17 24 O 0.73951279490960 0.81250000000000 0.17077483519650 15.999 > 17 25 O 0.26048720509040 0.18750000000000 0.82922516480350 15.999 > 25 26 O 0.76048720509040 0.18750000000000 0.82922516480350 15.999 > 25 27 O 0.26048720509040 0.43750000000000 0.82922516480350 15.999 > 25 28 O 0.76048720509040 0.43750000000000 0.82922516480350 15.999 > 25 29 O 0.26048720509040 0.68750000000000 0.82922516480350 15.999 > 25 30 O 0.76048720509040 0.68750000000000 0.82922516480350 15.999 > 25 31 O 0.26048720509040 0.93750000000000 0.82922516480350 15.999 > 25 32 O 0.76048720509040 0.93750000000000 0.82922516480350 15.999 > 25 33 O 0.31753228705206 0.06250000000000 0.61186153323715 15.999 > 33 34 O 0.81753228705206 0.06250000000000 0.61186153323715 15.999 > 33 35 O 0.31753228705206 0.31250000000000 0.61186153323715 15.999 > 33 36 O 0.81753228705206 0.31250000000000 0.61186153323715 15.999 > 33 37 O 0.31753228705206 0.56250000000000 0.61186153323715 15.999 > 33 38 O 0.81753228705206 0.56250000000000 0.61186153323715 15.999 > 33 39 O 0.31753228705206 0.81250000000000 0.61186153323715 15.999 > 33 40 O 0.81753228705206 0.81250000000000 0.61186153323715 15.999 > 33 41 O 0.18246771294794 0.18750000000000 0.38813846676285 15.999 > 41 42 O 0.68246771294794 0.18750000000000 0.38813846676285 15.999 > 41 43 O 0.18246771294794 0.43750000000000 0.38813846676285 15.999 > 41 44 O 0.68246771294794 0.43750000000000 0.38813846676285 15.999 > 41 45 O 0.18246771294794 0.68750000000000 0.38813846676285 15.999 > 41 46 O 0.68246771294794 0.68750000000000 0.38813846676285 15.999 > 41 47 O 0.18246771294794 0.93750000000000 0.38813846676285 15.999 > 41 48 O 0.68246771294794 0.93750000000000 0.38813846676285 15.999 > 41 49 Tl 0.21228093079625 0.18750000000000 0.61006075316775 204.383 > 49 50 Tl 0.71228093079625 0.18750000000000 0.61006075316775 204.383 > 49 51 Tl 0.21228093079625 0.43750000000000 0.61006075316775 204.383 > 49 52 Tl 0.71228093079625 0.43750000000000 0.61006075316775 204.383 > 49 53 Tl 0.21228093079625 0.68750000000000 0.61006075316775 204.383 > 49 54 Tl 0.71228093079625 0.68750000000000 0.61006075316775 204.383 > 49 55 Tl 0.21228093079625 0.93750000000000 0.61006075316775 204.383 > 49 56 Tl 0.71228093079625 0.93750000000000 0.61006075316775 204.383 > 49 57 Tl 0.28771906920375 0.06250000000000 0.38993924683225 204.383 > 57 58 Tl 0.78771906920375 0.06250000000000 0.38993924683225 204.383 > 57 59 Tl 0.28771906920375 0.31250000000000 0.38993924683225 204.383 > 57 60 Tl 0.78771906920375 0.31250000000000 0.38993924683225 204.383 > 57 61 Tl 0.28771906920375 0.56250000000000 0.38993924683225 204.383 > 57 62 Tl 0.78771906920375 0.56250000000000 0.38993924683225 204.383 > 57 63 Tl 0.28771906920375 0.81250000000000 0.38993924683225 204.383 > 57 64 Tl 0.78771906920375 0.81250000000000 0.38993924683225 204.383 > 57 65 Tl 0.03371143856721 0.06250000000000 0.36604305967085 204.383 > 65 66 Tl 0.53371143856721 0.06250000000000 0.36604305967085 204.383 > 65 67 Tl 0.03371143856721 0.31250000000000 0.36604305967085 204.383 > 65 68 Tl 0.53371143856721 0.31250000000000 0.36604305967085 204.383 > 65 69 Tl 0.03371143856721 0.56250000000000 0.36604305967085 204.383 > 65 70 Tl 0.53371143856721 0.56250000000000 0.36604305967085 204.383 > 65 71 Tl 0.03371143856721 0.81250000000000 0.36604305967085 204.383 > 65 72 Tl 0.53371143856721 0.81250000000000 0.36604305967085 204.383 > 65 73 Tl 0.46628856143280 0.18750000000000 0.63395694032915 204.383 > 73 74 Tl 0.96628856143279 0.18750000000000 0.63395694032915 204.383 > 73 75 Tl 0.46628856143280 0.43750000000000 0.63395694032915 204.383 > 73 76 Tl 0.96628856143279 0.43750000000000 0.63395694032915 204.383 > 73 77 Tl 0.46628856143280 0.68750000000000 0.63395694032915 204.383 > 73 78 Tl 0.96628856143279 0.68750000000000 0.63395694032915 204.383 > 73 79 Tl 0.46628856143280 0.93750000000000 0.63395694032915 204.383 > 73 80 Tl 0.96628856143279 0.93750000000000 0.63395694032915 204.383 > 73 81 Tl 0.14938379340678 0.06250000000000 0.85525098635277 204.383 > 81 82 Tl 0.64938379340678 0.06250000000000 0.85525098635277 204.383 > 81 83 Tl 0.14938379340678 0.31250000000000 0.85525098635277 204.383 > 81 84 Tl 0.64938379340678 0.31250000000000 0.85525098635277 204.383 > 81 85 Tl 0.14938379340678 0.56250000000000 0.85525098635277 204.383 > 81 86 Tl 0.64938379340678 0.56250000000000 0.85525098635277 204.383 > 81 87 Tl 0.14938379340678 0.81250000000000 0.85525098635277 204.383 > 81 88 Tl 0.64938379340678 0.81250000000000 0.85525098635277 204.383 > 81 89 Tl 0.35061620659322 0.18750000000000 0.14474901364723 204.383 > 89 90 Tl 0.85061620659322 0.18750000000000 0.14474901364723 204.383 > 89 91 Tl 0.35061620659322 0.43750000000000 0.14474901364723 204.383 > 89 92 Tl 0.85061620659322 0.43750000000000 0.14474901364723 204.383 > 89 93 Tl 0.35061620659322 0.68750000000000 0.14474901364723 204.383 > 89 94 Tl 0.85061620659322 0.68750000000000 0.14474901364723 204.383 > 89 95 Tl 0.35061620659322 0.93750000000000 0.14474901364723 204.383 > 89 96 Tl 0.85061620659322 0.93750000000000 0.14474901364723 204.383 > 89 97 Tl 0.38708829089794 0.06250000000000 0.86900138191574 204.383 > 97 98 Tl 0.88708829089794 0.06250000000000 0.86900138191574 204.383 > 97 99 Tl 0.38708829089794 0.31250000000000 0.86900138191574 204.383 > 97 100 Tl 0.88708829089794 0.31250000000000 0.86900138191574 204.383 > 97 101 Tl 0.38708829089794 0.56250000000000 0.86900138191574 204.383 > 97 102 Tl 0.88708829089794 0.56250000000000 0.86900138191574 204.383 > 97 103 Tl 0.38708829089794 0.81250000000000 0.86900138191574 204.383 > 97 104 Tl 0.88708829089794 0.81250000000000 0.86900138191574 204.383 > 97 105 Tl 0.11291170910206 0.18750000000000 0.13099861808426 204.383 > 105 106 Tl 0.61291170910206 0.18750000000000 0.13099861808426 204.383 > 105 107 Tl 0.11291170910206 0.43750000000000 0.13099861808426 204.383 > 105 108 Tl 0.61291170910206 0.43750000000000 0.13099861808426 204.383 > 105 109 Tl 0.11291170910206 0.68750000000000 0.13099861808426 204.383 > 105 110 Tl 0.61291170910206 0.68750000000000 0.13099861808426 204.383 > 105 111 Tl 0.11291170910206 0.93750000000000 0.13099861808426 204.383 > 105 112 Tl 0.61291170910206 0.93750000000000 0.13099861808426 204.383 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7659549 0.0000000 0.0016204 0.0000000 10.1511533 0.0000000 0.0016208 0.0000000 10.3419207 -------------------------- Born effective charges -------------------------- 1 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 2 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 3 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 4 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 5 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 6 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 7 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 8 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 9 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 10 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 11 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 12 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 13 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 14 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 81, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 06:29:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:29:46]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.542746620952174 0.000000000000000 0.000000000000000 b 0.000000000000000 3.474700330000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): 1 O 0.21981139382581 0.25000000000000 0.59955934156316 15.999 2 O 0.78018860617419 0.75000000000000 0.40044065843684 15.999 3 O 0.47902558981920 0.25000000000000 0.17077483519650 15.999 4 O 0.52097441018080 0.75000000000000 0.82922516480350 15.999 5 O 0.63506457410413 0.25000000000000 0.61186153323715 15.999 6 O 0.36493542589587 0.75000000000000 0.38813846676285 15.999 7 Tl 0.42456186159250 0.75000000000000 0.61006075316775 204.383 8 Tl 0.57543813840750 0.25000000000000 0.38993924683225 204.383 9 Tl 0.06742287713441 0.25000000000000 0.36604305967085 204.383 10 Tl 0.93257712286559 0.75000000000000 0.63395694032915 204.383 11 Tl 0.29876758681356 0.25000000000000 0.85525098635277 204.383 12 Tl 0.70123241318644 0.75000000000000 0.14474901364723 204.383 13 Tl 0.77417658179587 0.25000000000000 0.86900138191574 204.383 14 Tl 0.22582341820413 0.75000000000000 0.13099861808426 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.085493241904349 0.000000000000000 0.000000000000000 b 0.000000000000000 13.898801320000000 0.000000000000000 c -3.500218379177790 0.000000000000000 10.252802557794988 Atomic positions (fractional): 1 O 0.10990569691291 0.06250000000000 0.59955934156316 15.999 > 1 2 O 0.60990569691291 0.06250000000000 0.59955934156316 15.999 > 1 3 O 0.10990569691291 0.31250000000000 0.59955934156316 15.999 > 1 4 O 0.60990569691291 0.31250000000000 0.59955934156316 15.999 > 1 5 O 0.10990569691291 0.56250000000000 0.59955934156316 15.999 > 1 6 O 0.60990569691291 0.56250000000000 0.59955934156316 15.999 > 1 7 O 0.10990569691291 0.81250000000000 0.59955934156316 15.999 > 1 8 O 0.60990569691291 0.81250000000000 0.59955934156316 15.999 > 1 9 O 0.39009430308709 0.18750000000000 0.40044065843684 15.999 > 9 10 O 0.89009430308709 0.18750000000000 0.40044065843684 15.999 > 9 11 O 0.39009430308709 0.43750000000000 0.40044065843684 15.999 > 9 12 O 0.89009430308709 0.43750000000000 0.40044065843684 15.999 > 9 13 O 0.39009430308709 0.68750000000000 0.40044065843684 15.999 > 9 14 O 0.89009430308709 0.68750000000000 0.40044065843684 15.999 > 9 15 O 0.39009430308709 0.93750000000000 0.40044065843684 15.999 > 9 16 O 0.89009430308709 0.93750000000000 0.40044065843684 15.999 > 9 17 O 0.23951279490960 0.06250000000000 0.17077483519650 15.999 > 17 18 O 0.73951279490960 0.06250000000000 0.17077483519650 15.999 > 17 19 O 0.23951279490960 0.31250000000000 0.17077483519650 15.999 > 17 20 O 0.73951279490960 0.31250000000000 0.17077483519650 15.999 > 17 21 O 0.23951279490960 0.56250000000000 0.17077483519650 15.999 > 17 22 O 0.73951279490960 0.56250000000000 0.17077483519650 15.999 > 17 23 O 0.23951279490960 0.81250000000000 0.17077483519650 15.999 > 17 24 O 0.73951279490960 0.81250000000000 0.17077483519650 15.999 > 17 25 O 0.26048720509040 0.18750000000000 0.82922516480350 15.999 > 25 26 O 0.76048720509040 0.18750000000000 0.82922516480350 15.999 > 25 27 O 0.26048720509040 0.43750000000000 0.82922516480350 15.999 > 25 28 O 0.76048720509040 0.43750000000000 0.82922516480350 15.999 > 25 29 O 0.26048720509040 0.68750000000000 0.82922516480350 15.999 > 25 30 O 0.76048720509040 0.68750000000000 0.82922516480350 15.999 > 25 31 O 0.26048720509040 0.93750000000000 0.82922516480350 15.999 > 25 32 O 0.76048720509040 0.93750000000000 0.82922516480350 15.999 > 25 33 O 0.31753228705206 0.06250000000000 0.61186153323715 15.999 > 33 34 O 0.81753228705206 0.06250000000000 0.61186153323715 15.999 > 33 35 O 0.31753228705206 0.31250000000000 0.61186153323715 15.999 > 33 36 O 0.81753228705206 0.31250000000000 0.61186153323715 15.999 > 33 37 O 0.31753228705206 0.56250000000000 0.61186153323715 15.999 > 33 38 O 0.81753228705206 0.56250000000000 0.61186153323715 15.999 > 33 39 O 0.31753228705206 0.81250000000000 0.61186153323715 15.999 > 33 40 O 0.81753228705206 0.81250000000000 0.61186153323715 15.999 > 33 41 O 0.18246771294794 0.18750000000000 0.38813846676285 15.999 > 41 42 O 0.68246771294794 0.18750000000000 0.38813846676285 15.999 > 41 43 O 0.18246771294794 0.43750000000000 0.38813846676285 15.999 > 41 44 O 0.68246771294794 0.43750000000000 0.38813846676285 15.999 > 41 45 O 0.18246771294794 0.68750000000000 0.38813846676285 15.999 > 41 46 O 0.68246771294794 0.68750000000000 0.38813846676285 15.999 > 41 47 O 0.18246771294794 0.93750000000000 0.38813846676285 15.999 > 41 48 O 0.68246771294794 0.93750000000000 0.38813846676285 15.999 > 41 49 Tl 0.21228093079625 0.18750000000000 0.61006075316775 204.383 > 49 50 Tl 0.71228093079625 0.18750000000000 0.61006075316775 204.383 > 49 51 Tl 0.21228093079625 0.43750000000000 0.61006075316775 204.383 > 49 52 Tl 0.71228093079625 0.43750000000000 0.61006075316775 204.383 > 49 53 Tl 0.21228093079625 0.68750000000000 0.61006075316775 204.383 > 49 54 Tl 0.71228093079625 0.68750000000000 0.61006075316775 204.383 > 49 55 Tl 0.21228093079625 0.93750000000000 0.61006075316775 204.383 > 49 56 Tl 0.71228093079625 0.93750000000000 0.61006075316775 204.383 > 49 57 Tl 0.28771906920375 0.06250000000000 0.38993924683225 204.383 > 57 58 Tl 0.78771906920375 0.06250000000000 0.38993924683225 204.383 > 57 59 Tl 0.28771906920375 0.31250000000000 0.38993924683225 204.383 > 57 60 Tl 0.78771906920375 0.31250000000000 0.38993924683225 204.383 > 57 61 Tl 0.28771906920375 0.56250000000000 0.38993924683225 204.383 > 57 62 Tl 0.78771906920375 0.56250000000000 0.38993924683225 204.383 > 57 63 Tl 0.28771906920375 0.81250000000000 0.38993924683225 204.383 > 57 64 Tl 0.78771906920375 0.81250000000000 0.38993924683225 204.383 > 57 65 Tl 0.03371143856721 0.06250000000000 0.36604305967085 204.383 > 65 66 Tl 0.53371143856721 0.06250000000000 0.36604305967085 204.383 > 65 67 Tl 0.03371143856721 0.31250000000000 0.36604305967085 204.383 > 65 68 Tl 0.53371143856721 0.31250000000000 0.36604305967085 204.383 > 65 69 Tl 0.03371143856721 0.56250000000000 0.36604305967085 204.383 > 65 70 Tl 0.53371143856721 0.56250000000000 0.36604305967085 204.383 > 65 71 Tl 0.03371143856721 0.81250000000000 0.36604305967085 204.383 > 65 72 Tl 0.53371143856721 0.81250000000000 0.36604305967085 204.383 > 65 73 Tl 0.46628856143280 0.18750000000000 0.63395694032915 204.383 > 73 74 Tl 0.96628856143279 0.18750000000000 0.63395694032915 204.383 > 73 75 Tl 0.46628856143280 0.43750000000000 0.63395694032915 204.383 > 73 76 Tl 0.96628856143279 0.43750000000000 0.63395694032915 204.383 > 73 77 Tl 0.46628856143280 0.68750000000000 0.63395694032915 204.383 > 73 78 Tl 0.96628856143279 0.68750000000000 0.63395694032915 204.383 > 73 79 Tl 0.46628856143280 0.93750000000000 0.63395694032915 204.383 > 73 80 Tl 0.96628856143279 0.93750000000000 0.63395694032915 204.383 > 73 81 Tl 0.14938379340678 0.06250000000000 0.85525098635277 204.383 > 81 82 Tl 0.64938379340678 0.06250000000000 0.85525098635277 204.383 > 81 83 Tl 0.14938379340678 0.31250000000000 0.85525098635277 204.383 > 81 84 Tl 0.64938379340678 0.31250000000000 0.85525098635277 204.383 > 81 85 Tl 0.14938379340678 0.56250000000000 0.85525098635277 204.383 > 81 86 Tl 0.64938379340678 0.56250000000000 0.85525098635277 204.383 > 81 87 Tl 0.14938379340678 0.81250000000000 0.85525098635277 204.383 > 81 88 Tl 0.64938379340678 0.81250000000000 0.85525098635277 204.383 > 81 89 Tl 0.35061620659322 0.18750000000000 0.14474901364723 204.383 > 89 90 Tl 0.85061620659322 0.18750000000000 0.14474901364723 204.383 > 89 91 Tl 0.35061620659322 0.43750000000000 0.14474901364723 204.383 > 89 92 Tl 0.85061620659322 0.43750000000000 0.14474901364723 204.383 > 89 93 Tl 0.35061620659322 0.68750000000000 0.14474901364723 204.383 > 89 94 Tl 0.85061620659322 0.68750000000000 0.14474901364723 204.383 > 89 95 Tl 0.35061620659322 0.93750000000000 0.14474901364723 204.383 > 89 96 Tl 0.85061620659322 0.93750000000000 0.14474901364723 204.383 > 89 97 Tl 0.38708829089794 0.06250000000000 0.86900138191574 204.383 > 97 98 Tl 0.88708829089794 0.06250000000000 0.86900138191574 204.383 > 97 99 Tl 0.38708829089794 0.31250000000000 0.86900138191574 204.383 > 97 100 Tl 0.88708829089794 0.31250000000000 0.86900138191574 204.383 > 97 101 Tl 0.38708829089794 0.56250000000000 0.86900138191574 204.383 > 97 102 Tl 0.88708829089794 0.56250000000000 0.86900138191574 204.383 > 97 103 Tl 0.38708829089794 0.81250000000000 0.86900138191574 204.383 > 97 104 Tl 0.88708829089794 0.81250000000000 0.86900138191574 204.383 > 97 105 Tl 0.11291170910206 0.18750000000000 0.13099861808426 204.383 > 105 106 Tl 0.61291170910206 0.18750000000000 0.13099861808426 204.383 > 105 107 Tl 0.11291170910206 0.43750000000000 0.13099861808426 204.383 > 105 108 Tl 0.61291170910206 0.43750000000000 0.13099861808426 204.383 > 105 109 Tl 0.11291170910206 0.68750000000000 0.13099861808426 204.383 > 105 110 Tl 0.61291170910206 0.68750000000000 0.13099861808426 204.383 > 105 111 Tl 0.11291170910206 0.93750000000000 0.13099861808426 204.383 > 105 112 Tl 0.61291170910206 0.93750000000000 0.13099861808426 204.383 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.7659549 0.0000000 0.0016204 0.0000000 10.1511533 0.0000000 0.0016208 0.0000000 10.3419207 -------------------------- Born effective charges -------------------------- 1 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 2 O -2.9335831 0.0000000 0.0080621 0.0000000 -2.6025324 0.0000000 -0.0795667 0.0000000 -4.0923152 3 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 4 O -3.7875890 0.0000000 -0.0992311 0.0000000 -3.7368648 0.0000000 -0.3076140 0.0000000 -2.1663406 5 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 6 O -3.2202921 0.0000000 0.1828022 0.0000000 -2.9730196 0.0000000 -0.0675805 0.0000000 -3.2826470 7 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 8 Tl 3.6487246 0.0000000 -0.2479321 0.0000000 4.0720330 0.0000000 -0.0334494 0.0000000 3.6926152 9 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 10 Tl 2.3265341 0.0000000 0.1805757 0.0000000 1.5010608 0.0000000 0.2167951 0.0000000 2.0661002 11 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 12 Tl 2.0449973 0.0000000 -0.3241511 0.0000000 1.8382359 0.0000000 -0.2010439 0.0000000 1.7962923 13 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 14 Tl 1.9212081 0.0000000 0.2998743 0.0000000 1.9010871 0.0000000 0.4724595 0.0000000 1.9862950 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 14 5 ] 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: 307, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 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 0.780 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 11.858 0.000 -0.181) 11.859 0.254 ( 11.986 0.000 2.462) 12.236 0.364 ( 17.295 0.000 0.863) 17.316 0.800 ( 1.026 0.000 2.533) 2.733 0.990 ( 0.183 0.000 -1.656) 1.666 1.020 ( -3.813 0.000 -0.562) 3.855 1.050 ( -3.214 0.000 0.372) 3.236 1.081 ( -1.373 0.000 0.831) 1.605 1.187 ( -1.429 0.000 -2.439) 2.827 1.227 ( 4.135 0.000 -5.805) 7.127 1.276 ( 0.866 0.000 0.734) 1.135 1.335 ( 1.102 0.000 -0.288) 1.139 1.559 ( 2.685 0.000 0.161) 2.690 1.589 ( -6.816 0.000 5.579) 8.808 1.684 ( -2.180 0.000 -2.444) 3.275 1.826 ( 6.089 0.000 -2.496) 6.581 1.908 ( 5.966 0.000 -1.845) 6.245 1.971 ( 4.298 0.000 7.560) 8.696 2.132 ( 0.249 0.000 -0.029) 0.251 2.638 ( -1.841 0.000 -0.583) 1.931 2.971 ( 1.209 0.000 -7.970) 8.062 3.014 ( -0.087 0.000 -0.989) 0.993 3.443 ( -4.574 0.000 4.914) 6.713 3.927 ( 0.896 0.000 -0.605) 1.082 5.429 ( -9.307 0.000 1.084) 9.369 5.733 ( -6.606 0.000 -2.595) 7.097 5.898 ( -2.714 0.000 1.229) 2.979 5.997 ( -15.869 0.000 0.292) 15.871 6.264 ( -11.462 0.000 -6.282) 13.071 6.717 ( 8.292 0.000 -5.270) 9.825 7.173 ( -3.107 0.000 -2.884) 4.239 7.743 ( 9.846 0.000 -0.047) 9.846 8.112 ( -11.922 0.000 -1.269) 11.989 8.213 ( 8.990 0.000 -28.094) 29.497 8.469 ( 8.005 0.000 0.036) 8.005 8.502 ( 4.630 0.000 1.769) 4.956 8.835 ( 25.011 0.000 0.877) 25.026 9.861 ( 2.902 0.000 2.582) 3.885 10.840 ( -3.762 0.000 1.841) 4.189 11.569 ( -6.415 0.000 27.121) 27.869 11.902 ( -0.541 0.000 -4.567) 4.599 12.057 ( -3.019 0.000 0.164) 3.023 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 11.230 0.000 -2.850) 11.586 0.474 ( 9.435 0.000 2.118) 9.670 0.633 ( 9.698 0.000 0.693) 9.723 0.841 ( 0.628 0.000 3.859) 3.910 0.932 ( -4.730 0.000 -0.802) 4.798 0.983 ( 0.346 0.000 -2.139) 2.167 0.985 ( -3.626 0.000 1.592) 3.960 1.050 ( -2.158 0.000 1.008) 2.382 1.116 ( -2.667 0.000 -3.190) 4.158 1.299 ( 0.795 0.000 0.808) 1.133 1.301 ( 6.456 0.000 -6.242) 8.980 1.357 ( 1.185 0.000 -0.319) 1.227 1.502 ( -7.052 0.000 9.459) 11.798 1.631 ( 4.550 0.000 0.194) 4.554 1.636 ( -0.960 0.000 -2.690) 2.857 1.947 ( 7.385 0.000 -2.242) 7.718 2.006 ( 4.192 0.000 1.041) 4.320 2.095 ( 4.174 0.000 3.339) 5.346 2.135 ( 0.033 0.000 -0.039) 0.051 2.597 ( -1.526 0.000 -0.515) 1.610 2.934 ( -1.123 0.000 -3.202) 3.394 3.000 ( -0.492 0.000 -1.415) 1.498 3.374 ( -5.031 0.000 2.878) 5.796 3.937 ( 0.507 0.000 -0.765) 0.918 5.188 ( -14.225 0.000 0.336) 14.229 5.490 ( -18.359 0.000 -0.251) 18.361 5.764 ( -4.190 0.000 -0.915) 4.289 5.867 ( -2.421 0.000 0.832) 2.560 6.018 ( -10.642 0.000 -2.034) 10.835 6.780 ( 1.938 0.000 -4.578) 4.971 7.055 ( -5.767 0.000 -4.375) 7.238 7.876 ( -9.755 0.000 -5.075) 10.996 7.935 ( 9.136 0.000 -0.044) 9.136 8.337 ( 14.423 0.000 -10.229) 17.682 8.589 ( 3.987 0.000 -0.305) 3.998 8.633 ( 8.033 0.000 0.036) 8.033 9.315 ( 19.153 0.000 13.210) 23.267 9.944 ( 5.143 0.000 -2.103) 5.556 10.771 ( -4.394 0.000 2.164) 4.898 11.638 ( 1.378 0.000 8.347) 8.460 11.846 ( -2.723 0.000 -2.674) 3.816 11.979 ( -4.882 0.000 -0.362) 4.896 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 8.175 0.000 -4.098) 9.145 0.626 ( 4.834 0.000 1.218) 4.985 0.738 ( 1.107 0.000 3.390) 3.566 0.816 ( -4.375 0.000 0.611) 4.418 0.843 ( -3.433 0.000 -0.693) 3.502 0.972 ( 0.544 0.000 0.293) 0.618 0.977 ( 0.250 0.000 -1.203) 1.229 1.023 ( -1.015 0.000 0.658) 1.210 1.077 ( 0.092 0.000 -0.551) 0.558 1.313 ( 0.291 0.000 0.321) 0.433 1.356 ( 2.389 0.000 -4.204) 4.835 1.372 ( 0.492 0.000 -0.126) 0.508 1.461 ( -2.565 0.000 6.392) 6.887 1.611 ( -0.301 0.000 -1.260) 1.296 1.710 ( 2.790 0.000 0.084) 2.791 2.051 ( 5.168 0.000 -4.195) 6.656 2.068 ( 0.152 0.000 4.597) 4.599 2.132 ( -0.274 0.000 -0.020) 0.275 2.150 ( 0.590 0.000 0.027) 0.591 2.586 ( 0.224 0.000 0.046) 0.228 2.895 ( -1.123 0.000 -1.134) 1.596 2.987 ( -0.053 0.000 -0.606) 0.608 3.309 ( -2.548 0.000 1.102) 2.776 3.937 ( 0.062 0.000 -0.350) 0.356 4.982 ( -6.077 0.000 -0.008) 6.077 5.196 ( -9.434 0.000 0.051) 9.434 5.730 ( -0.419 0.000 -0.183) 0.457 5.836 ( -0.987 0.000 0.138) 0.997 5.866 ( -4.082 0.000 -0.473) 4.109 6.763 ( -0.440 0.000 -1.941) 1.991 6.945 ( -2.644 0.000 -2.158) 3.413 7.714 ( -3.977 0.000 -2.310) 4.599 8.058 ( 3.438 0.000 -0.017) 3.438 8.520 ( 6.941 0.000 -2.055) 7.239 8.640 ( 1.397 0.000 -0.435) 1.463 8.743 ( 3.112 0.000 0.014) 3.112 9.651 ( 7.061 0.000 7.999) 10.670 10.015 ( 3.613 0.000 -3.012) 4.704 10.719 ( -1.840 0.000 0.936) 2.064 11.713 ( 2.282 0.000 1.662) 2.823 11.785 ( -1.770 0.000 -0.336) 1.801 11.887 ( -3.599 0.000 -0.819) 3.691 ======================= Grid point 7 (5/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 0.000 12.177 0.000) 12.177 0.241 ( 0.000 10.277 0.000) 10.277 0.551 ( 0.000 24.381 0.000) 24.381 0.763 ( 0.000 -0.841 0.000) 0.841 0.776 ( 0.000 -0.625 0.000) 0.625 1.051 ( 0.000 -1.332 0.000) 1.332 1.064 ( 0.000 5.336 0.000) 5.336 1.157 ( 0.000 6.716 0.000) 6.716 1.169 ( 0.000 3.852 0.000) 3.852 1.226 ( 0.000 2.561 0.000) 2.561 1.351 ( 0.000 7.907 0.000) 7.907 1.407 ( 0.000 6.672 0.000) 6.672 1.596 ( 0.000 0.281 0.000) 0.281 1.631 ( 0.000 -2.100 0.000) 2.100 1.727 ( 0.000 0.344 0.000) 0.344 1.836 ( 0.000 0.365 0.000) 0.365 1.871 ( 0.000 0.669 0.000) 0.669 1.950 ( 0.000 12.998 0.000) 12.998 2.297 ( 0.000 14.032 0.000) 14.032 2.661 ( 0.000 0.669 0.000) 0.669 2.795 ( 0.000 -3.572 0.000) 3.572 2.978 ( 0.000 -3.447 0.000) 3.447 3.295 ( 0.000 -0.849 0.000) 0.849 3.871 ( 0.000 -4.089 0.000) 4.089 5.818 ( 0.000 -4.372 0.000) 4.372 5.865 ( 0.000 1.400 0.000) 1.400 6.035 ( 0.000 -0.695 0.000) 0.695 6.349 ( 0.000 -17.403 0.000) 17.403 6.580 ( 0.000 9.573 0.000) 9.573 7.058 ( 0.000 2.248 0.000) 2.248 7.068 ( 0.000 -0.441 0.000) 0.441 7.437 ( 0.000 16.457 0.000) 16.457 8.069 ( 0.000 -17.767 0.000) 17.767 8.283 ( 0.000 -10.799 0.000) 10.799 8.301 ( 0.000 -4.663 0.000) 4.663 8.502 ( 0.000 12.331 0.000) 12.331 9.155 ( 0.000 23.295 0.000) 23.295 10.062 ( 0.000 -2.418 0.000) 2.418 10.203 ( 0.000 4.335 0.000) 4.335 10.836 ( 0.000 -3.485 0.000) 3.485 11.843 ( 0.000 -5.544 0.000) 5.544 12.038 ( 0.000 -4.212 0.000) 4.212 ======================= Grid point 8 (6/144) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 9.397 8.828 -2.350) 13.105 0.371 ( 10.221 5.145 0.798) 11.471 0.607 ( 5.106 17.355 -0.129) 18.091 0.777 ( 2.026 0.387 4.362) 4.825 0.996 ( 6.704 -3.905 -0.720) 7.792 1.028 ( -0.287 -0.575 -0.056) 0.645 1.073 ( 2.730 0.461 -5.345) 6.019 1.105 ( -4.249 4.477 0.804) 6.225 1.144 ( -1.600 6.390 0.613) 6.616 1.239 ( 0.102 4.818 -1.034) 4.929 1.364 ( 1.348 7.371 0.761) 7.532 1.410 ( 0.591 6.355 -0.487) 6.401 1.573 ( -4.831 0.471 3.809) 6.170 1.601 ( -0.538 -0.016 -0.533) 0.757 1.752 ( 2.510 2.193 -0.260) 3.343 1.872 ( 2.826 3.904 -1.245) 4.977 1.906 ( 5.577 0.481 -2.438) 6.106 2.004 ( 3.086 6.596 4.704) 8.669 2.301 ( 0.169 13.784 -0.028) 13.785 2.627 ( -1.640 0.158 -1.668) 2.344 2.883 ( 4.339 -5.189 -2.331) 7.154 2.978 ( 0.292 -3.158 -1.217) 3.397 3.331 ( 0.259 -4.166 4.173) 5.902 3.883 ( 1.292 -3.714 -0.562) 3.973 5.635 ( -11.202 1.499 0.601) 11.317 5.931 ( -0.977 2.682 0.850) 2.978 5.968 ( -2.553 8.221 -0.038) 8.608 6.335 ( -16.868 21.776 -0.304) 27.547 6.475 ( -19.002 21.603 -6.932) 29.594 6.602 ( 8.731 -6.931 -5.003) 12.219 7.261 ( 0.165 3.699 -5.776) 6.861 7.533 ( 10.029 -8.808 3.230) 13.733 7.930 ( 4.097 -11.715 -18.886) 22.599 8.126 ( -5.824 -4.823 0.698) 7.594 8.455 ( 11.512 -0.548 -25.827) 28.282 8.630 ( 3.122 4.684 23.601) 24.263 9.175 ( 5.874 22.690 0.219) 23.439 9.877 ( -1.754 1.972 -0.477) 2.682 10.797 ( -1.744 -6.437 3.588) 7.573 10.905 ( 17.006 -35.547 24.041) 46.160 11.831 ( -0.533 -5.236 -2.277) 5.735 12.018 ( -2.457 -2.899 0.868) 3.898 ======================= Grid point 9 (7/144) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 10.909 5.780 -3.651) 12.874 0.572 ( 9.424 2.441 1.999) 9.938 0.697 ( 3.829 7.413 0.098) 8.344 0.850 ( 1.764 3.336 3.382) 5.068 0.956 ( -4.201 -0.657 -0.146) 4.255 0.997 ( -3.993 2.969 -1.849) 5.308 1.054 ( -0.177 4.276 1.031) 4.402 1.109 ( -1.762 5.784 -0.254) 6.052 1.148 ( 2.619 2.601 -2.829) 4.651 1.238 ( 2.412 1.676 -2.530) 3.876 1.392 ( 0.054 5.149 0.350) 5.161 1.421 ( 0.803 5.758 -0.499) 5.835 1.512 ( -4.032 2.399 6.991) 8.420 1.599 ( 0.588 0.693 -1.282) 1.571 1.804 ( 2.975 7.845 -0.376) 8.398 1.948 ( 6.052 1.119 -2.944) 6.823 2.000 ( 3.774 -0.316 2.027) 4.296 2.090 ( 3.025 1.608 1.556) 3.763 2.302 ( -0.145 13.064 0.252) 13.067 2.592 ( -0.933 0.668 -0.787) 1.391 2.902 ( -0.055 -2.327 -1.900) 3.004 2.970 ( -0.200 -2.706 -1.349) 3.031 3.327 ( -2.699 -3.145 2.885) 5.050 3.902 ( 0.946 -3.012 -0.711) 3.236 5.442 ( -9.177 14.515 0.089) 17.173 5.796 ( -11.964 20.745 -0.109) 23.948 5.972 ( -4.497 20.910 -0.627) 21.398 5.982 ( -5.847 16.152 0.227) 17.179 6.202 ( -11.024 14.772 -2.719) 18.632 6.716 ( 3.741 -6.019 -3.074) 7.725 7.139 ( -5.700 8.018 -6.697) 11.901 7.722 ( 2.299 -10.351 -2.464) 10.886 7.947 ( 7.386 -4.222 0.177) 8.510 8.192 ( 13.370 -11.619 -4.724) 18.332 8.485 ( 5.212 1.461 -12.682) 13.789 8.806 ( 3.946 4.129 6.672) 8.782 9.358 ( 8.384 4.366 10.716) 14.290 9.867 ( 0.250 -6.550 -1.899) 6.824 10.740 ( -3.877 -3.028 1.471) 5.135 11.197 ( 4.451 -38.742 10.225) 40.315 11.798 ( -0.987 -3.358 -2.670) 4.402 11.961 ( -3.923 -0.293 1.048) 4.071 ======================= Grid point 10 (8/144) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 7.826 4.481 -4.044) 9.884 0.724 ( 3.307 -0.553 2.668) 4.285 0.764 ( 3.732 6.040 1.025) 7.173 0.823 ( -4.486 4.851 0.643) 6.638 0.908 ( -3.737 3.537 0.254) 5.151 0.915 ( -0.966 -1.799 -0.953) 2.254 1.058 ( -0.250 5.140 0.751) 5.200 1.083 ( -0.375 6.457 -0.753) 6.511 1.159 ( 0.428 6.516 -0.045) 6.530 1.292 ( 4.745 -0.649 -4.143) 6.332 1.355 ( -4.326 1.013 3.270) 5.516 1.432 ( 0.380 5.266 -0.137) 5.282 1.515 ( -0.066 5.448 2.649) 6.058 1.602 ( 0.302 1.037 -0.654) 1.263 1.849 ( 1.580 9.269 -0.196) 9.405 2.035 ( 4.549 -1.054 -3.722) 5.972 2.064 ( 0.520 -0.168 5.165) 5.194 2.117 ( -0.118 -1.059 -1.484) 1.827 2.299 ( -0.215 12.363 0.168) 12.366 2.587 ( 0.327 1.248 -0.017) 1.290 2.880 ( -0.766 -0.924 -0.758) 1.420 2.961 ( 0.016 -2.383 -0.522) 2.440 3.291 ( -1.723 -1.376 1.047) 2.441 3.909 ( 0.232 -2.538 -0.324) 2.569 5.312 ( -3.837 26.403 -0.118) 26.680 5.588 ( -6.562 34.466 -0.183) 35.086 5.876 ( -2.476 9.836 1.092) 10.201 5.987 ( 1.728 15.331 -2.897) 15.698 6.035 ( -5.667 16.354 1.400) 17.365 6.725 ( -0.092 -3.483 -1.284) 3.713 7.023 ( -2.462 7.835 -2.855) 8.695 7.650 ( -3.041 -5.081 -1.870) 6.209 8.163 ( 8.639 7.281 1.924) 11.461 8.400 ( 7.421 -11.485 -0.816) 13.698 8.475 ( -0.143 -9.103 -4.696) 10.244 8.868 ( 0.917 7.273 0.270) 7.336 9.571 ( 5.466 -7.876 8.380) 12.733 9.841 ( -0.967 -15.776 -3.499) 16.188 10.690 ( -1.682 -2.694 0.599) 3.232 11.282 ( 1.064 -39.976 2.586) 40.073 11.768 ( -0.572 -0.491 -1.289) 1.493 11.902 ( -2.140 1.817 0.520) 2.855 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 3.900 0.000) 3.900 0.492 ( 0.000 13.708 0.000) 13.708 0.708 ( 0.000 -0.867 0.000) 0.867 0.827 ( 0.000 6.311 0.000) 6.311 0.999 ( 0.000 11.515 0.000) 11.515 1.062 ( 0.000 5.345 0.000) 5.345 1.154 ( 0.000 2.684 0.000) 2.684 1.240 ( 0.000 3.575 0.000) 3.575 1.286 ( 0.000 9.253 0.000) 9.253 1.400 ( 0.000 11.412 0.000) 11.412 1.530 ( 0.000 0.163 0.000) 0.163 1.563 ( 0.000 11.824 0.000) 11.824 1.609 ( 0.000 4.259 0.000) 4.259 1.659 ( 0.000 5.278 0.000) 5.278 1.746 ( 0.000 2.047 0.000) 2.047 1.846 ( 0.000 0.513 0.000) 0.513 1.939 ( 0.000 5.916 0.000) 5.916 2.205 ( 0.000 8.926 0.000) 8.926 2.601 ( 0.000 10.432 0.000) 10.432 2.733 ( 0.000 7.875 0.000) 7.875 2.747 ( 0.000 2.808 0.000) 2.808 2.897 ( 0.000 -3.938 0.000) 3.938 3.299 ( 0.000 2.088 0.000) 2.088 3.780 ( 0.000 -4.026 0.000) 4.026 5.686 ( 0.000 -8.737 0.000) 8.737 5.850 ( 0.000 -0.027 0.000) 0.027 6.015 ( 0.000 -12.913 0.000) 12.913 6.138 ( 0.000 5.059 0.000) 5.059 6.459 ( 0.000 -13.741 0.000) 13.741 6.989 ( 0.000 -7.899 0.000) 7.899 7.242 ( 0.000 2.005 0.000) 2.005 7.614 ( 0.000 -4.635 0.000) 4.635 7.841 ( 0.000 2.789 0.000) 2.789 8.218 ( 0.000 11.545 0.000) 11.545 8.255 ( 0.000 1.419 0.000) 1.419 8.819 ( 0.000 16.499 0.000) 16.499 9.535 ( 0.000 11.187 0.000) 11.187 10.072 ( 0.000 5.111 0.000) 5.111 10.277 ( 0.000 1.538 0.000) 1.538 10.735 ( 0.000 -6.084 0.000) 6.084 11.704 ( 0.000 -7.017 0.000) 7.017 11.942 ( 0.000 -4.286 0.000) 4.286 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 6.907 3.527 -0.072) 7.756 0.538 ( 5.470 11.737 -3.087) 13.312 0.718 ( 1.192 2.255 3.207) 4.097 0.930 ( 7.431 -0.677 -2.288) 7.805 0.988 ( -0.121 8.255 -2.808) 8.720 1.042 ( -2.464 1.867 0.160) 3.096 1.156 ( 1.315 8.924 -0.557) 9.038 1.210 ( -2.419 4.715 1.930) 5.640 1.312 ( 1.528 8.975 -2.207) 9.368 1.396 ( -1.160 10.363 2.317) 10.683 1.531 ( -0.221 2.326 -0.128) 2.340 1.553 ( -0.668 9.199 1.057) 9.284 1.605 ( -0.933 5.580 0.639) 5.694 1.657 ( 0.056 5.761 0.393) 5.774 1.768 ( 3.725 0.914 -1.344) 4.065 1.901 ( 3.666 0.509 2.334) 4.376 1.963 ( 2.766 4.905 -1.106) 5.739 2.199 ( -0.462 7.588 -0.632) 7.628 2.591 ( -0.992 9.953 -0.045) 10.002 2.693 ( -0.558 7.542 -2.065) 7.839 2.836 ( 4.789 3.545 0.599) 5.989 2.900 ( 0.474 -3.952 -0.750) 4.050 3.294 ( -1.164 0.744 2.073) 2.491 3.799 ( 1.840 -3.842 -0.411) 4.280 5.629 ( -1.589 -0.589 2.211) 2.786 6.009 ( 5.434 2.250 1.332) 6.030 6.092 ( 8.498 -4.636 -0.292) 9.685 6.278 ( 14.981 1.950 -0.122) 15.108 6.480 ( 2.164 -10.552 -1.450) 10.869 6.964 ( -5.261 3.271 -1.450) 6.363 7.181 ( -0.865 0.482 0.124) 0.998 7.558 ( -5.137 0.403 -1.347) 5.326 7.792 ( -1.633 -0.176 -5.922) 6.146 8.112 ( -1.971 5.983 -8.094) 10.257 8.330 ( 8.758 -2.175 -14.498) 17.077 8.847 ( -1.908 12.284 11.943) 17.238 9.529 ( -2.920 10.607 4.908) 12.046 9.961 ( -8.997 6.579 -0.908) 11.183 10.347 ( 0.105 -15.869 10.962) 19.287 10.714 ( -2.036 -5.820 -0.304) 6.173 11.707 ( 0.813 -6.047 -1.067) 6.194 11.953 ( 0.154 -2.955 1.793) 3.460 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 7.016 2.174 0.014) 7.345 0.645 ( 7.367 6.907 -3.051) 10.549 0.778 ( 2.164 3.445 3.168) 5.157 0.931 ( -2.598 0.649 -3.206) 4.177 0.977 ( -2.523 1.664 0.560) 3.074 1.035 ( 1.752 2.831 -1.451) 3.632 1.188 ( 1.935 2.999 -2.365) 4.282 1.208 ( 2.287 10.610 1.031) 10.903 1.301 ( -1.012 10.781 -1.482) 10.929 1.377 ( -2.918 8.913 3.490) 10.007 1.500 ( -2.574 5.890 0.212) 6.431 1.560 ( 0.375 6.859 -0.098) 6.870 1.615 ( 1.428 6.368 2.327) 6.929 1.668 ( 0.729 6.643 -0.274) 6.689 1.857 ( 5.940 -0.295 -1.250) 6.077 1.985 ( 3.375 0.075 1.908) 3.878 2.013 ( 2.512 2.518 -0.656) 3.617 2.176 ( -1.429 4.590 -1.119) 4.936 2.566 ( -1.515 8.709 0.079) 8.840 2.684 ( 0.586 9.120 -1.201) 9.218 2.893 ( 0.416 -0.486 0.212) 0.674 2.906 ( 1.376 1.500 -1.186) 2.356 3.283 ( -1.406 -0.332 2.141) 2.583 3.829 ( 1.400 -3.661 -0.492) 3.950 5.658 ( 2.631 6.624 1.581) 7.301 6.103 ( 4.218 9.017 1.879) 10.130 6.244 ( 7.520 9.478 -0.601) 12.114 6.403 ( -4.141 9.569 -1.451) 10.527 6.565 ( 2.392 -1.528 3.470) 4.483 6.750 ( -8.826 28.571 -4.906) 30.303 7.315 ( 8.119 2.403 -12.294) 14.928 7.480 ( 1.487 -8.227 6.615) 10.661 7.776 ( 4.541 -8.076 -0.653) 9.288 8.071 ( 2.799 -2.204 -4.510) 5.747 8.428 ( 12.768 -6.475 -18.221) 23.172 8.893 ( -0.400 5.734 10.713) 12.158 9.464 ( -7.666 4.794 5.009) 10.337 9.742 ( -14.267 -3.307 1.100) 14.686 10.380 ( -2.911 -32.183 8.780) 33.486 10.662 ( -2.863 -5.396 -0.576) 6.136 11.725 ( 1.859 -3.580 -1.299) 4.238 11.955 ( -1.483 -0.711 2.073) 2.646 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 3.142 -0.004 0.062) 3.143 0.759 ( 6.021 3.337 -1.499) 7.045 0.826 ( 1.126 3.351 0.392) 3.556 0.854 ( -3.943 0.139 0.317) 3.958 0.940 ( -1.400 3.568 0.272) 3.842 1.030 ( -0.599 4.210 -0.471) 4.278 1.219 ( 1.482 3.012 -0.066) 3.358 1.251 ( 0.950 13.095 -1.785) 13.250 1.279 ( 1.743 8.463 -2.950) 9.130 1.338 ( -3.817 4.148 4.940) 7.495 1.462 ( -1.039 9.745 -0.088) 9.800 1.563 ( 0.113 6.928 -0.220) 6.932 1.659 ( 1.263 6.457 1.365) 6.720 1.675 ( 0.132 7.224 -0.524) 7.244 1.955 ( 4.254 0.233 -0.446) 4.283 2.025 ( -0.022 -0.196 -0.976) 0.996 2.053 ( 1.481 -1.322 1.918) 2.761 2.137 ( -1.550 3.467 -1.033) 3.936 2.541 ( -0.888 7.482 0.090) 7.535 2.692 ( 0.514 9.429 -0.431) 9.453 2.895 ( 0.133 -3.069 0.136) 3.075 2.915 ( 0.075 6.025 -0.494) 6.046 3.271 ( -0.687 0.187 0.845) 1.105 3.844 ( 0.422 -3.488 -0.214) 3.520 5.724 ( 2.882 8.830 -0.075) 9.289 6.189 ( 3.258 17.940 1.641) 18.307 6.272 ( -6.557 22.854 1.110) 23.802 6.353 ( 5.272 14.261 -4.270) 15.792 6.452 ( -8.425 19.058 3.171) 21.077 6.714 ( 1.231 12.675 -1.297) 12.801 7.263 ( -1.123 14.125 -4.976) 15.017 7.533 ( -0.998 -6.085 -0.307) 6.174 8.011 ( 11.362 -19.429 6.354) 23.387 8.138 ( 4.112 -14.564 -4.311) 15.735 8.539 ( 6.745 13.041 -8.469) 16.950 9.005 ( 7.371 4.866 2.049) 9.066 9.335 ( -6.482 -12.649 4.844) 15.016 9.454 ( -14.514 -19.022 -0.157) 23.928 10.375 ( -1.352 -38.189 3.182) 38.346 10.614 ( -1.418 -4.806 -0.360) 5.024 11.752 ( 1.393 -1.239 -0.777) 2.019 11.932 ( -1.473 0.397 1.072) 1.864 ======================= Grid point 21 (13/144) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 3.361 0.000) 3.361 0.727 ( 0.000 3.095 0.000) 3.095 0.766 ( 0.000 12.648 0.000) 12.648 1.002 ( 0.000 9.282 0.000) 9.282 1.091 ( 0.000 4.044 0.000) 4.044 1.190 ( 0.000 1.291 0.000) 1.291 1.204 ( 0.000 4.396 0.000) 4.396 1.322 ( 0.000 4.255 0.000) 4.255 1.469 ( 0.000 -3.534 0.000) 3.534 1.575 ( 0.000 15.962 0.000) 15.962 1.630 ( 0.000 10.306 0.000) 10.306 1.696 ( 0.000 2.159 0.000) 2.159 1.789 ( 0.000 6.582 0.000) 6.582 1.792 ( 0.000 8.386 0.000) 8.386 1.851 ( 0.000 7.573 0.000) 7.573 1.869 ( 0.000 3.182 0.000) 3.182 2.092 ( 0.000 8.135 0.000) 8.135 2.274 ( 0.000 -0.829 0.000) 0.829 2.633 ( 0.000 -0.977 0.000) 0.977 2.818 ( 0.000 -2.797 0.000) 2.797 2.934 ( 0.000 7.546 0.000) 7.546 2.986 ( 0.000 13.233 0.000) 13.233 3.432 ( 0.000 11.657 0.000) 11.657 3.740 ( 0.000 1.137 0.000) 1.137 5.495 ( 0.000 -7.463 0.000) 7.463 5.841 ( 0.000 -5.287 0.000) 5.287 5.882 ( 0.000 1.978 0.000) 1.978 6.058 ( 0.000 -8.101 0.000) 8.101 6.360 ( 0.000 2.810 0.000) 2.810 6.778 ( 0.000 -9.588 0.000) 9.588 7.015 ( 0.000 -14.250 0.000) 14.250 7.454 ( 0.000 -6.533 0.000) 6.533 8.183 ( 0.000 20.998 0.000) 20.998 8.338 ( 0.000 5.712 0.000) 5.712 8.591 ( 0.000 19.463 0.000) 19.463 9.099 ( 0.000 9.015 0.000) 9.015 9.637 ( 0.000 1.487 0.000) 1.487 10.210 ( 0.000 4.701 0.000) 4.701 10.237 ( 0.000 -5.226 0.000) 5.226 10.594 ( 0.000 -7.458 0.000) 7.458 11.606 ( 0.000 -1.422 0.000) 1.422 11.889 ( 0.000 -0.786 0.000) 0.786 ======================= Grid point 22 (14/144) ======================= q-point: ( 0.14 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 6.474 2.430 -0.109) 6.916 0.757 ( 1.999 7.787 -1.762) 8.231 0.814 ( 5.046 7.551 0.021) 9.082 0.992 ( -0.955 6.231 -0.006) 6.304 1.078 ( -3.039 2.644 -4.539) 6.069 1.105 ( -0.601 5.063 1.787) 5.402 1.280 ( 0.002 2.783 -2.744) 3.909 1.303 ( 0.870 4.241 3.603) 5.633 1.515 ( 3.858 -1.306 0.869) 4.165 1.581 ( 0.410 14.749 -0.341) 14.759 1.613 ( -2.256 9.416 1.747) 9.838 1.713 ( -0.723 4.044 1.446) 4.355 1.736 ( 0.111 6.530 -0.771) 6.577 1.798 ( -1.926 6.768 -0.045) 7.037 1.850 ( 2.857 6.915 -2.341) 7.840 1.924 ( 2.869 2.578 0.708) 3.922 2.095 ( 0.357 7.200 -0.428) 7.222 2.259 ( -1.321 -0.391 -0.598) 1.501 2.626 ( -0.653 -1.662 -0.431) 1.838 2.810 ( -0.503 -2.731 -0.778) 2.884 2.935 ( 0.303 9.157 0.608) 9.182 3.019 ( 2.706 9.871 -0.213) 10.237 3.414 ( -1.745 12.054 0.802) 12.206 3.755 ( 1.300 0.512 -0.114) 1.401 5.562 ( 4.083 -7.001 3.904) 8.996 5.926 ( 11.812 -0.847 -1.702) 11.964 6.096 ( 16.428 -0.035 0.593) 16.439 6.128 ( 7.350 -12.536 -0.505) 14.541 6.480 ( 12.234 6.635 3.332) 14.311 6.804 ( 1.648 -8.873 2.857) 9.466 7.018 ( 0.592 -15.272 -0.407) 15.289 7.479 ( 2.630 -4.251 -0.919) 5.083 8.046 ( -9.612 15.051 -11.451) 21.214 8.208 ( -8.005 6.866 -6.287) 12.278 8.566 ( -3.556 18.410 -1.831) 18.840 9.044 ( -6.297 5.578 4.198) 9.402 9.636 ( -2.774 1.921 5.815) 6.723 10.111 ( -12.146 3.737 2.382) 12.929 10.153 ( -7.204 -2.323 0.068) 7.570 10.579 ( -0.913 -7.141 -1.753) 7.410 11.618 ( 1.555 -1.850 -0.427) 2.454 11.908 ( 0.653 -1.373 2.577) 2.992 ======================= Grid point 23 (15/144) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 6.103 1.422 -0.173) 6.269 0.770 ( 0.428 7.087 -0.620) 7.127 0.909 ( 4.135 7.336 -0.569) 8.440 0.961 ( -2.060 2.888 -1.723) 3.944 0.999 ( -1.547 1.573 -1.201) 2.512 1.129 ( 0.509 6.004 0.378) 6.038 1.239 ( -0.653 2.829 0.145) 2.907 1.355 ( 2.511 3.972 -1.602) 4.964 1.550 ( -3.963 8.602 2.149) 9.712 1.579 ( -1.062 12.071 0.135) 12.119 1.603 ( 2.892 3.949 1.905) 5.252 1.704 ( 0.036 6.841 0.309) 6.848 1.747 ( 0.712 6.151 -0.251) 6.197 1.817 ( 2.612 4.893 1.528) 5.753 1.881 ( 2.754 4.934 -3.380) 6.585 1.976 ( 2.180 -0.369 0.234) 2.224 2.091 ( -0.817 4.878 -0.369) 4.960 2.224 ( -1.796 0.882 -0.493) 2.061 2.602 ( -1.554 -2.088 -0.308) 2.621 2.793 ( -0.663 -3.267 -0.888) 3.450 2.955 ( 1.291 10.855 0.349) 10.937 3.062 ( 1.587 6.296 -0.095) 6.494 3.391 ( -1.120 12.729 0.963) 12.815 3.777 ( 0.977 -0.439 -0.092) 1.075 5.664 ( 3.756 -6.387 4.634) 8.739 6.172 ( 11.834 -4.178 -2.044) 12.715 6.258 ( 8.095 -2.065 -0.303) 8.360 6.458 ( 17.985 0.195 0.641) 17.998 6.688 ( 1.115 6.044 1.982) 6.457 6.903 ( 3.555 -15.201 0.634) 15.624 7.128 ( 16.043 -9.770 4.646) 19.350 7.515 ( 1.497 3.722 -2.830) 4.910 7.767 ( -8.151 3.059 -13.810) 16.325 8.007 ( -10.869 -0.895 -1.079) 10.959 8.511 ( 5.883 16.752 -7.675) 19.343 8.957 ( -5.040 1.296 5.918) 7.881 9.551 ( -11.467 4.132 3.980) 12.822 9.813 ( -20.921 8.977 4.634) 23.232 10.000 ( -7.296 -5.229 0.650) 9.000 10.540 ( -1.522 -6.452 -2.505) 7.087 11.660 ( 2.981 -2.625 -0.545) 4.010 11.924 ( -1.189 -2.308 2.861) 3.863 ======================= Grid point 24 (16/144) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 3.465 1.348 -1.229) 3.916 0.769 ( -0.914 1.732 1.473) 2.450 0.914 ( -1.168 4.245 -1.132) 4.546 0.932 ( -0.272 5.804 -0.573) 5.839 1.018 ( 2.144 3.194 0.204) 3.852 1.105 ( -1.937 4.196 -0.017) 4.621 1.274 ( 2.742 4.216 -0.261) 5.037 1.371 ( 0.131 3.110 -1.012) 3.273 1.495 ( -2.408 8.580 1.493) 9.036 1.549 ( -1.014 12.805 -0.541) 12.856 1.660 ( 1.469 7.273 1.512) 7.573 1.700 ( -0.447 6.377 -0.573) 6.418 1.776 ( 1.328 4.998 0.695) 5.218 1.850 ( 0.393 8.157 -0.223) 8.170 1.940 ( 4.323 -0.403 -0.085) 4.342 1.999 ( -0.028 -1.343 -1.326) 1.888 2.059 ( -1.926 2.248 0.370) 2.983 2.194 ( -0.871 2.145 -0.135) 2.319 2.574 ( -0.925 -1.769 -0.051) 1.997 2.778 ( -0.321 -3.897 -0.373) 3.928 2.979 ( 0.822 12.366 0.096) 12.394 3.078 ( 0.347 4.496 -0.030) 4.509 3.383 ( -0.279 12.994 0.429) 13.004 3.790 ( 0.340 -0.869 -0.025) 0.934 5.752 ( 2.421 -4.283 2.037) 5.324 6.301 ( 4.062 -9.628 -1.966) 10.633 6.417 ( 6.762 5.181 -0.529) 8.535 6.568 ( -4.605 4.520 1.782) 6.695 6.772 ( 5.199 9.536 1.920) 11.030 6.902 ( -0.890 -20.150 -0.277) 20.171 7.442 ( 8.393 -0.447 -4.312) 9.446 7.499 ( -0.730 12.425 -0.963) 12.483 7.662 ( 3.803 -13.436 0.701) 13.982 7.807 ( -8.280 -15.231 -1.754) 17.424 8.770 ( 23.123 13.139 -4.517) 26.976 8.991 ( 6.205 -2.534 2.849) 7.283 9.238 ( -21.625 11.176 0.970) 24.361 9.419 ( -20.354 12.993 2.978) 24.331 9.925 ( -1.810 -8.520 1.041) 8.772 10.503 ( -0.810 -5.966 -1.237) 6.146 11.711 ( 2.133 -2.902 -0.435) 3.627 11.905 ( -1.623 -3.007 1.359) 3.678 ======================= Grid point 28 (17/144) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 5.325 0.000) 5.325 0.823 ( 0.000 5.475 0.000) 5.475 1.008 ( 0.000 10.878 0.000) 10.878 1.160 ( 0.000 5.386 0.000) 5.386 1.175 ( 0.000 3.258 0.000) 3.258 1.215 ( 0.000 1.211 0.000) 1.211 1.275 ( 0.000 2.304 0.000) 2.304 1.421 ( 0.000 0.025 0.000) 0.025 1.429 ( 0.000 6.484 0.000) 6.484 1.723 ( 0.000 0.945 0.000) 0.945 1.794 ( 0.000 4.431 0.000) 4.431 1.865 ( 0.000 3.017 0.000) 3.017 1.871 ( 0.000 11.960 0.000) 11.960 1.899 ( 0.000 3.638 0.000) 3.638 1.994 ( 0.000 5.327 0.000) 5.327 2.014 ( 0.000 7.432 0.000) 7.432 2.230 ( 0.000 -2.188 0.000) 2.188 2.233 ( 0.000 4.873 0.000) 4.873 2.624 ( 0.000 0.139 0.000) 0.139 2.768 ( 0.000 -2.093 0.000) 2.093 3.019 ( 0.000 2.118 0.000) 2.118 3.184 ( 0.000 4.909 0.000) 4.909 3.732 ( 0.000 15.776 0.000) 15.776 3.857 ( 0.000 9.936 0.000) 9.936 5.461 ( 0.000 5.142 0.000) 5.142 5.775 ( 0.000 -0.235 0.000) 0.235 5.885 ( 0.000 1.272 0.000) 1.272 6.061 ( 0.000 6.697 0.000) 6.697 6.413 ( 0.000 2.383 0.000) 2.383 6.710 ( 0.000 3.481 0.000) 3.481 6.885 ( 0.000 2.837 0.000) 2.837 7.362 ( 0.000 -3.119 0.000) 3.119 8.349 ( 0.000 -1.743 0.000) 1.743 8.620 ( 0.000 16.376 0.000) 16.376 8.924 ( 0.000 12.062 0.000) 12.062 9.132 ( 0.000 -6.594 0.000) 6.594 9.666 ( 0.000 1.968 0.000) 1.968 10.112 ( 0.000 -5.321 0.000) 5.321 10.206 ( 0.000 -4.252 0.000) 4.252 10.436 ( 0.000 -7.823 0.000) 7.823 11.649 ( 0.000 4.628 0.000) 4.628 11.894 ( 0.000 0.777 0.000) 0.777 ======================= Grid point 29 (18/144) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 4.663 4.285 -0.194) 6.336 0.866 ( 3.813 4.639 0.036) 6.005 1.017 ( 1.263 10.274 -1.538) 10.465 1.106 ( -4.037 3.669 1.759) 5.732 1.128 ( -3.524 2.484 -3.014) 5.260 1.231 ( 2.517 5.482 0.459) 6.050 1.340 ( 2.201 3.271 0.027) 3.943 1.386 ( -1.142 4.515 0.993) 4.762 1.498 ( 5.150 0.715 0.460) 5.219 1.710 ( -1.446 1.601 1.926) 2.892 1.803 ( -3.042 4.939 1.052) 5.895 1.839 ( 2.319 2.757 0.178) 3.607 1.871 ( 0.161 11.203 -0.163) 11.205 1.912 ( -1.696 4.452 -2.223) 5.257 1.936 ( -0.490 2.353 -2.987) 3.834 2.049 ( 1.530 7.364 -0.716) 7.555 2.219 ( -1.174 3.362 0.547) 3.603 2.243 ( 0.375 0.517 0.663) 0.920 2.603 ( -1.937 -0.198 -0.128) 1.951 2.755 ( -1.301 -2.311 -0.014) 2.652 3.027 ( 0.721 1.913 0.670) 2.151 3.186 ( 0.496 4.437 -0.981) 4.571 3.726 ( -0.622 16.065 0.419) 16.083 3.857 ( -0.031 9.333 -0.058) 9.333 5.450 ( -0.363 -1.267 1.945) 2.349 5.826 ( 5.687 -6.808 0.327) 8.877 6.069 ( 11.805 4.505 -0.234) 12.637 6.132 ( 8.885 4.145 1.956) 9.998 6.520 ( 10.013 -0.524 0.502) 10.040 6.731 ( -0.243 0.608 5.547) 5.586 6.872 ( 0.526 3.051 -2.733) 4.130 7.418 ( 5.446 -1.808 0.869) 5.804 8.151 ( -14.368 -1.190 -10.804) 18.016 8.420 ( -18.086 7.020 -2.432) 19.553 8.928 ( -0.314 15.723 -0.369) 15.730 9.079 ( -4.614 -0.782 1.986) 5.084 9.668 ( -1.738 1.833 4.127) 4.838 10.048 ( -5.673 -3.751 0.459) 6.817 10.228 ( -0.416 2.758 0.325) 2.808 10.426 ( -0.227 -7.705 -2.370) 8.064 11.634 ( -1.034 2.844 -0.605) 3.086 11.890 ( -1.584 -0.679 2.751) 3.246 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 4.579 2.543 -0.023) 5.238 0.927 ( 1.359 6.169 -0.174) 6.319 1.021 ( -0.082 5.577 -1.671) 5.822 1.049 ( -2.272 3.760 -1.250) 4.568 1.063 ( -1.384 4.726 0.714) 4.976 1.259 ( -0.866 6.276 0.006) 6.336 1.341 ( 0.844 6.864 1.320) 7.041 1.415 ( 2.949 2.583 -2.841) 4.841 1.613 ( 5.050 -0.617 3.397) 6.117 1.684 ( -3.214 4.373 2.632) 6.032 1.777 ( 0.013 3.097 1.425) 3.409 1.818 ( -3.372 5.779 -2.138) 7.024 1.875 ( 0.354 6.592 -1.074) 6.688 1.915 ( 1.887 4.774 -2.392) 5.663 1.922 ( 2.141 -1.503 -1.083) 2.831 2.057 ( 0.133 7.360 -1.066) 7.438 2.188 ( -2.399 3.990 0.183) 4.659 2.252 ( -0.125 2.228 0.946) 2.424 2.561 ( -2.065 -1.117 -0.031) 2.348 2.723 ( -1.844 -2.955 -0.059) 3.483 3.056 ( 1.721 1.328 1.023) 2.402 3.187 ( 0.358 3.981 -1.391) 4.233 3.718 ( -0.475 16.365 0.517) 16.380 3.854 ( -0.175 8.187 0.010) 8.189 5.493 ( 2.871 -7.604 3.979) 9.050 5.959 ( 8.057 -10.300 -2.863) 13.387 6.214 ( 6.314 -11.392 1.216) 13.081 6.402 ( 11.504 -0.539 2.884) 11.873 6.537 ( -4.747 -11.573 -6.274) 13.994 6.743 ( -4.968 0.457 4.157) 6.494 7.080 ( 20.686 1.320 4.095) 21.129 7.488 ( -4.208 -7.187 0.036) 8.328 7.821 ( -6.953 5.867 -8.415) 12.393 8.017 ( -19.992 0.718 -1.945) 20.099 8.971 ( 7.695 20.558 -6.066) 22.773 9.030 ( -0.662 8.499 6.389) 10.654 9.624 ( -6.317 3.285 3.042) 7.743 9.920 ( -7.898 2.675 1.980) 8.570 10.136 ( -9.632 12.236 -0.510) 15.580 10.399 ( -0.504 -7.229 -3.326) 7.973 11.619 ( 0.233 -1.291 -0.615) 1.449 11.863 ( -3.285 -3.517 2.969) 5.655 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 1.991 1.319 0.136) 2.393 0.899 ( -2.156 9.219 -0.690) 9.493 1.006 ( -0.575 4.517 -0.469) 4.577 1.021 ( -0.325 2.742 0.216) 2.769 1.072 ( 0.974 2.433 -0.151) 2.625 1.226 ( -1.281 7.960 -0.205) 8.065 1.390 ( 2.017 5.753 1.561) 6.293 1.437 ( 1.019 3.266 -2.530) 4.255 1.643 ( -1.891 6.025 1.371) 6.462 1.711 ( 1.854 -0.229 3.221) 3.724 1.747 ( -0.540 4.731 -1.037) 4.873 1.806 ( -0.079 3.299 0.024) 3.300 1.860 ( -0.459 3.257 -1.086) 3.464 1.907 ( 0.692 -0.941 -1.794) 2.141 1.992 ( 2.710 3.556 -0.370) 4.486 2.056 ( 0.532 6.615 0.621) 6.665 2.132 ( -2.965 4.370 -0.536) 5.308 2.249 ( -0.365 3.579 0.386) 3.618 2.534 ( -0.732 -1.559 0.043) 1.723 2.694 ( -0.919 -3.581 -0.044) 3.698 3.096 ( 1.327 0.351 0.775) 1.577 3.180 ( -0.197 4.344 -0.919) 4.445 3.715 ( -0.157 16.514 0.243) 16.517 3.852 ( -0.085 7.267 0.023) 7.267 5.597 ( 4.184 -9.724 3.342) 11.101 6.078 ( 5.489 -12.082 -2.309) 13.470 6.217 ( -7.175 -31.152 -3.128) 32.120 6.408 ( 3.927 -8.092 -0.330) 9.001 6.526 ( -4.262 -7.500 -0.899) 8.673 6.787 ( 5.587 -1.928 4.795) 7.611 7.271 ( -8.433 -19.328 -2.242) 21.207 7.381 ( 5.649 -9.240 -0.317) 10.835 7.729 ( -7.951 9.955 -0.347) 12.745 7.844 ( 4.891 14.946 1.002) 15.758 9.048 ( 8.010 9.121 -2.517) 12.397 9.212 ( 3.339 20.598 2.604) 21.029 9.515 ( 2.874 14.309 -0.595) 14.607 9.777 ( -13.339 15.096 2.938) 20.358 9.910 ( -7.782 8.528 -1.288) 11.617 10.372 ( -0.338 -6.644 -1.637) 6.851 11.635 ( 1.223 -4.333 -0.345) 4.516 11.815 ( -2.500 -5.508 1.297) 6.186 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 6.003 0.000) 6.003 0.921 ( 0.000 3.503 0.000) 3.503 1.186 ( 0.000 4.005 0.000) 4.005 1.210 ( 0.000 0.235 0.000) 0.235 1.232 ( 0.000 1.769 0.000) 1.769 1.265 ( 0.000 6.450 0.000) 6.450 1.277 ( 0.000 -1.003 0.000) 1.003 1.498 ( 0.000 6.147 0.000) 6.147 1.567 ( 0.000 5.996 0.000) 5.996 1.733 ( 0.000 -0.135 0.000) 0.135 1.830 ( 0.000 0.666 0.000) 0.666 1.927 ( 0.000 -1.000 0.000) 1.000 1.930 ( 0.000 1.767 0.000) 1.767 2.026 ( 0.000 -2.007 0.000) 2.007 2.058 ( 0.000 6.377 0.000) 6.377 2.146 ( 0.000 5.599 0.000) 5.599 2.248 ( 0.000 4.165 0.000) 4.165 2.290 ( 0.000 1.281 0.000) 1.281 2.627 ( 0.000 -0.264 0.000) 0.264 2.727 ( 0.000 -2.116 0.000) 2.116 3.060 ( 0.000 2.308 0.000) 2.308 3.213 ( 0.000 -0.858 0.000) 0.858 4.038 ( 0.000 13.419 0.000) 13.419 4.093 ( 0.000 11.536 0.000) 11.536 5.703 ( 0.000 17.032 0.000) 17.032 5.875 ( 0.000 10.422 0.000) 10.422 5.981 ( 0.000 7.197 0.000) 7.197 6.291 ( 0.000 15.266 0.000) 15.266 6.502 ( 0.000 6.782 0.000) 6.782 6.853 ( 0.000 7.703 0.000) 7.703 7.047 ( 0.000 10.028 0.000) 10.028 7.313 ( 0.000 -1.425 0.000) 1.425 8.218 ( 0.000 -10.302 0.000) 10.302 8.841 ( 0.000 -19.671 0.000) 19.671 8.879 ( 0.000 8.818 0.000) 8.818 9.085 ( 0.000 3.458 0.000) 3.458 9.723 ( 0.000 3.507 0.000) 3.507 10.042 ( 0.000 -2.006 0.000) 2.006 10.099 ( 0.000 -4.770 0.000) 4.770 10.276 ( 0.000 -7.613 0.000) 7.613 11.750 ( 0.000 4.411 0.000) 4.411 11.902 ( 0.000 -0.192 0.000) 0.192 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.14 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 3.083 5.438 -0.029) 6.251 0.950 ( 2.575 3.103 0.355) 4.048 1.141 ( -2.985 1.592 0.122) 3.385 1.162 ( -3.500 0.922 0.049) 3.620 1.233 ( 0.675 8.581 -1.342) 8.712 1.291 ( 3.792 1.297 -1.771) 4.381 1.373 ( 4.615 -0.385 3.103) 5.575 1.500 ( 0.273 6.856 -0.323) 6.869 1.579 ( 1.029 5.611 0.249) 5.710 1.725 ( -0.815 0.097 1.456) 1.671 1.845 ( 1.171 -1.616 -0.269) 2.013 1.868 ( -3.551 1.305 0.673) 3.843 1.950 ( 0.638 -0.289 -3.354) 3.426 1.987 ( -2.238 1.766 -1.135) 3.068 2.043 ( -1.062 5.404 -0.944) 5.588 2.177 ( 1.693 4.940 0.259) 5.229 2.265 ( 1.431 3.760 1.104) 4.172 2.281 ( -1.016 1.480 0.331) 1.826 2.608 ( -2.015 0.055 0.190) 2.025 2.712 ( -1.600 -2.073 0.140) 2.622 3.067 ( 0.735 2.313 0.128) 2.431 3.211 ( -0.011 -0.807 -0.469) 0.933 4.027 ( -1.150 12.750 0.359) 12.807 4.085 ( -0.686 11.293 -0.288) 11.317 5.547 ( -9.552 10.297 -0.835) 14.069 5.793 ( -2.352 3.857 1.287) 4.698 6.161 ( 2.443 5.378 -1.661) 6.136 6.318 ( 1.590 12.455 2.974) 12.903 6.571 ( 6.719 5.335 -1.453) 8.701 6.812 ( -4.791 5.396 2.415) 7.609 6.962 ( -5.078 3.037 -0.214) 5.921 7.384 ( 3.638 -2.398 1.515) 4.613 8.074 ( -10.694 -4.749 -1.713) 11.826 8.423 ( -21.337 -5.126 -6.570) 22.906 9.070 ( 2.253 0.413 2.932) 3.721 9.180 ( 9.675 8.087 0.087) 12.610 9.723 ( -0.926 3.553 2.054) 4.207 9.977 ( -0.739 -2.535 -0.696) 2.731 10.247 ( 7.409 -1.097 0.969) 7.552 10.269 ( 0.247 -7.094 -1.878) 7.343 11.704 ( -4.095 3.380 -1.010) 5.405 11.871 ( -4.017 -1.272 2.151) 4.731 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.29 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 3.134 4.382 0.090) 5.388 1.003 ( 1.974 2.039 0.869) 2.968 1.096 ( -1.943 2.218 0.681) 3.027 1.109 ( -1.587 2.004 -0.649) 2.637 1.229 ( -0.349 9.882 -1.707) 10.034 1.349 ( 3.435 1.178 -2.186) 4.238 1.446 ( 0.414 2.388 2.249) 3.307 1.511 ( 1.302 6.951 -0.151) 7.074 1.610 ( 2.336 1.491 0.878) 2.907 1.735 ( -0.392 0.864 4.103) 4.211 1.827 ( -0.317 1.619 0.241) 1.667 1.841 ( -0.691 -3.991 -3.661) 5.459 1.909 ( -2.301 3.586 -1.235) 4.436 1.973 ( 0.470 1.889 -0.539) 2.020 2.014 ( -0.395 3.546 -1.868) 4.027 2.189 ( -0.191 4.730 -0.508) 4.761 2.256 ( -1.642 3.002 0.211) 3.428 2.308 ( 1.662 3.326 1.349) 3.955 2.559 ( -2.969 0.425 0.267) 3.011 2.674 ( -2.293 -1.981 0.203) 3.037 3.088 ( 1.205 2.011 0.337) 2.368 3.207 ( -0.073 -0.868 -0.740) 1.143 4.009 ( -0.786 11.442 0.481) 11.479 4.065 ( -1.183 10.601 -0.328) 10.672 5.415 ( -4.312 0.553 0.892) 4.437 5.816 ( 4.865 -3.574 -1.099) 6.136 6.008 ( -13.149 -4.589 -5.948) 15.143 6.381 ( -18.240 -5.355 1.046) 19.039 6.409 ( 3.624 -0.570 3.732) 5.233 6.739 ( -7.784 -1.949 5.791) 9.896 7.059 ( 8.151 -2.881 -3.940) 9.501 7.317 ( -9.675 -7.462 -0.858) 12.248 7.982 ( 2.617 8.451 -0.019) 8.847 8.076 ( -10.373 5.066 -0.614) 11.560 9.117 ( 4.073 5.453 -0.590) 6.832 9.412 ( 14.208 15.184 0.299) 20.797 9.708 ( -1.488 5.262 1.432) 5.653 9.974 ( -0.940 2.574 0.876) 2.877 10.246 ( -0.638 -7.016 -2.461) 7.463 10.335 ( -0.058 5.719 0.117) 5.720 11.606 ( -4.716 -0.036 -0.985) 4.818 11.784 ( -6.240 -3.970 2.214) 7.720 ======================= Grid point 38 (24/144) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 1.256 3.558 0.118) 3.775 1.022 ( -0.112 1.294 0.289) 1.331 1.072 ( -0.825 2.303 0.760) 2.562 1.101 ( 0.511 3.786 -0.507) 3.854 1.198 ( -1.201 11.464 -1.136) 11.582 1.383 ( 1.259 4.946 -1.237) 5.251 1.447 ( -0.370 0.435 0.719) 0.918 1.531 ( 0.584 6.254 0.077) 6.282 1.670 ( 1.927 -2.288 1.870) 3.527 1.747 ( -0.209 2.443 2.106) 3.233 1.792 ( -1.392 -0.680 -2.738) 3.146 1.852 ( -0.459 3.462 0.396) 3.515 1.878 ( 2.161 1.093 0.049) 2.422 1.942 ( -2.500 1.974 -1.866) 3.691 2.031 ( 1.578 0.229 0.000) 1.595 2.174 ( -0.907 3.895 0.053) 3.999 2.229 ( -0.800 5.151 -0.372) 5.226 2.333 ( 0.352 4.107 0.585) 4.164 2.516 ( -1.289 -0.112 0.131) 1.301 2.639 ( -1.157 -1.915 0.103) 2.240 3.110 ( 0.710 1.362 0.283) 1.562 3.200 ( -0.143 -0.975 -0.459) 1.087 4.007 ( 0.249 11.198 0.294) 11.204 4.040 ( -1.007 9.436 -0.220) 9.492 5.402 ( 2.027 -7.937 2.353) 8.523 5.671 ( -13.754 -17.275 -4.778) 22.592 5.964 ( 10.587 -4.045 -3.344) 11.817 6.163 ( -4.777 -10.966 3.368) 12.426 6.321 ( -12.823 -12.270 -0.958) 17.773 6.752 ( 2.734 -4.871 7.972) 9.734 6.982 ( -5.356 -5.699 -3.191) 8.447 7.216 ( -1.692 -5.907 -3.576) 7.109 7.952 ( -1.019 9.882 -1.519) 10.050 8.103 ( 2.433 9.590 4.229) 10.760 9.264 ( 11.481 11.596 -2.381) 16.491 9.515 ( -6.770 9.609 1.754) 11.884 9.807 ( 9.217 10.312 -0.379) 13.836 9.982 ( 5.334 11.481 1.050) 12.703 10.192 ( -7.945 5.402 -0.254) 9.611 10.255 ( -3.710 1.879 -1.108) 4.304 11.543 ( -1.207 -4.251 -0.402) 4.437 11.690 ( -3.781 -6.421 0.891) 7.505 ======================= Grid point 42 (25/144) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 5.747 0.000) 5.747 0.948 ( 0.000 -1.034 0.000) 1.034 1.202 ( 0.000 -0.375 0.000) 0.375 1.210 ( 0.000 -0.029 0.000) 0.029 1.251 ( 0.000 0.543 0.000) 0.543 1.265 ( 0.000 -0.292 0.000) 0.292 1.444 ( 0.000 9.162 0.000) 9.162 1.624 ( 0.000 5.474 0.000) 5.474 1.659 ( 0.000 3.128 0.000) 3.128 1.712 ( 0.000 -2.197 0.000) 2.197 1.828 ( 0.000 -1.349 0.000) 1.349 1.858 ( 0.000 -4.987 0.000) 4.987 1.945 ( 0.000 0.526 0.000) 0.526 1.981 ( 0.000 -1.577 0.000) 1.577 2.156 ( 0.000 3.575 0.000) 3.575 2.227 ( 0.000 1.403 0.000) 1.403 2.324 ( 0.000 2.914 0.000) 2.914 2.341 ( 0.000 3.791 0.000) 3.791 2.610 ( 0.000 -0.963 0.000) 0.963 2.672 ( 0.000 -3.218 0.000) 3.218 3.113 ( 0.000 2.565 0.000) 2.565 3.185 ( 0.000 -1.419 0.000) 1.419 4.263 ( 0.000 8.039 0.000) 8.039 4.288 ( 0.000 6.776 0.000) 6.776 6.026 ( 0.000 12.043 0.000) 12.043 6.133 ( 0.000 6.159 0.000) 6.159 6.231 ( 0.000 23.036 0.000) 23.036 6.612 ( 0.000 13.251 0.000) 13.251 6.683 ( 0.000 9.385 0.000) 9.385 6.925 ( 0.000 -1.668 0.000) 1.668 7.204 ( 0.000 3.840 0.000) 3.840 7.312 ( 0.000 0.495 0.000) 0.495 8.002 ( 0.000 -7.441 0.000) 7.441 8.394 ( 0.000 -21.814 0.000) 21.814 9.001 ( 0.000 3.815 0.000) 3.815 9.101 ( 0.000 -1.164 0.000) 1.164 9.808 ( 0.000 4.775 0.000) 4.775 10.001 ( 0.000 -2.647 0.000) 2.647 10.038 ( 0.000 -1.116 0.000) 1.116 10.131 ( 0.000 -6.081 0.000) 6.081 11.819 ( 0.000 2.458 0.000) 2.458 11.887 ( 0.000 -1.179 0.000) 1.179 ======================= Grid point 43 (26/144) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.464 5.626 -0.034) 6.142 0.974 ( 2.285 -1.034 0.160) 2.513 1.161 ( -2.442 0.691 0.602) 2.608 1.173 ( -2.384 0.291 -0.150) 2.407 1.289 ( 3.623 0.282 -1.637) 3.986 1.330 ( 3.159 -1.134 2.396) 4.124 1.446 ( 0.758 8.538 -0.666) 8.598 1.631 ( 0.982 4.638 -0.722) 4.796 1.676 ( 1.186 3.719 1.131) 4.064 1.719 ( 0.365 -0.492 -0.063) 0.616 1.776 ( -2.505 -4.516 -1.924) 5.511 1.865 ( -1.025 -1.567 -0.056) 1.873 1.943 ( 0.440 0.038 1.072) 1.160 1.982 ( -0.577 -1.531 0.764) 1.806 2.131 ( -1.501 3.788 -2.147) 4.605 2.235 ( 0.270 -0.030 -0.452) 0.527 2.328 ( 0.467 3.831 0.317) 3.873 2.354 ( 0.900 3.660 0.769) 3.847 2.596 ( -1.460 -0.797 0.152) 1.671 2.661 ( -1.234 -2.996 0.151) 3.244 3.118 ( 0.582 2.400 -0.073) 2.470 3.186 ( -0.019 -1.320 0.106) 1.324 4.241 ( -2.252 7.786 0.159) 8.107 4.274 ( -1.340 6.416 -0.243) 6.558 5.822 ( -17.501 14.394 -2.561) 22.804 5.947 ( -6.304 9.075 -1.596) 11.164 6.282 ( -6.242 6.569 -0.273) 9.066 6.545 ( -10.726 5.714 -0.529) 12.165 6.702 ( -4.334 5.948 0.671) 7.390 6.889 ( -21.002 0.091 0.964) 21.025 6.966 ( 2.753 0.681 -0.417) 2.866 7.290 ( -3.898 -6.617 0.552) 7.699 8.035 ( 3.467 2.143 3.456) 5.344 8.287 ( -7.447 -7.150 -2.438) 10.608 9.096 ( 5.775 2.196 0.686) 6.217 9.242 ( 15.269 -1.687 -0.428) 15.368 9.815 ( 0.269 5.432 0.874) 5.508 9.970 ( 2.047 1.349 -1.212) 2.735 10.128 ( 0.107 -5.638 -0.079) 5.640 10.200 ( 9.969 -3.815 1.163) 10.737 11.762 ( -5.528 2.231 -0.922) 6.032 11.839 ( -5.389 -1.779 1.017) 5.765 ======================= Grid point 44 (27/144) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.305 5.222 0.069) 5.709 1.013 ( 1.042 -1.198 0.363) 1.628 1.131 ( -1.270 1.503 0.656) 2.074 1.147 ( 0.120 1.355 -0.146) 1.368 1.343 ( 2.963 -0.587 -1.505) 3.375 1.383 ( 1.341 1.592 1.053) 2.333 1.474 ( 1.834 4.960 0.437) 5.306 1.641 ( -0.010 2.912 -0.920) 3.054 1.683 ( -0.894 5.534 -0.247) 5.611 1.727 ( 1.091 -1.003 1.390) 2.032 1.755 ( 0.825 -3.620 -1.281) 3.927 1.844 ( 0.260 -0.014 -0.987) 1.020 1.962 ( -0.952 0.276 3.080) 3.236 1.973 ( -0.195 -1.115 0.640) 1.301 2.081 ( -1.647 4.023 -3.441) 5.544 2.223 ( -0.821 -1.088 -0.902) 1.634 2.340 ( 0.392 4.803 0.050) 4.819 2.383 ( 1.393 3.296 0.935) 3.699 2.561 ( -2.317 -0.200 0.341) 2.351 2.630 ( -1.976 -2.603 0.144) 3.271 3.132 ( 0.793 1.996 0.003) 2.148 3.184 ( -0.194 -1.025 0.016) 1.043 4.193 ( -2.442 6.672 0.209) 7.108 4.237 ( -2.272 5.463 -0.215) 5.921 5.508 ( -14.208 7.883 -0.956) 16.276 5.838 ( -3.281 4.904 -2.059) 6.249 5.923 ( -27.946 -5.547 -3.809) 28.745 6.283 ( -17.769 -6.382 -0.775) 18.897 6.399 ( -11.943 1.276 3.112) 12.408 6.619 ( -11.471 -8.145 4.606) 14.804 7.052 ( 0.799 2.803 -3.440) 4.509 7.211 ( -2.254 -3.339 -4.022) 5.693 8.127 ( 0.673 5.577 0.591) 5.648 8.187 ( -0.829 4.072 5.419) 6.829 9.256 ( 12.140 8.276 -1.380) 14.757 9.558 ( 14.739 -0.722 0.049) 14.757 9.831 ( 1.491 5.710 1.337) 6.051 10.031 ( 3.846 0.108 -1.475) 4.121 10.144 ( 2.157 0.987 1.007) 2.577 10.373 ( 6.729 -1.857 0.305) 6.987 11.616 ( -8.471 0.981 -0.959) 8.581 11.706 ( -8.654 -3.448 0.954) 9.365 ======================= Grid point 45 (28/144) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.751 4.597 0.080) 4.658 1.019 ( -0.179 -1.212 0.183) 1.239 1.119 ( -0.290 2.349 0.232) 2.379 1.162 ( 0.739 1.909 0.014) 2.047 1.371 ( 0.682 0.285 -0.484) 0.883 1.418 ( 2.219 0.849 -0.502) 2.428 1.484 ( -1.383 5.926 0.753) 6.132 1.625 ( -0.351 0.234 -0.137) 0.443 1.695 ( 1.048 5.731 0.862) 5.889 1.735 ( 0.013 -1.145 -1.809) 2.141 1.764 ( 0.109 -1.352 0.440) 1.426 1.880 ( 3.175 -0.786 0.161) 3.275 1.947 ( -2.367 0.893 2.357) 3.457 1.967 ( -0.681 0.944 -0.699) 1.358 2.042 ( -0.333 3.336 -1.513) 3.678 2.203 ( -0.529 -1.029 -0.546) 1.279 2.343 ( 0.100 5.721 -0.169) 5.724 2.408 ( 0.613 3.017 0.458) 3.112 2.523 ( -1.432 0.468 0.228) 1.524 2.599 ( -1.030 -2.451 0.040) 2.659 3.144 ( 0.378 1.599 0.089) 1.646 3.179 ( -0.218 -0.714 -0.102) 0.753 4.168 ( -0.035 4.954 0.115) 4.955 4.193 ( -2.088 4.639 -0.065) 5.087 5.304 ( -5.280 -1.588 -0.002) 5.513 5.425 ( -16.665 -7.697 -0.943) 18.380 5.847 ( 4.587 -5.657 -1.815) 7.506 6.020 ( -9.275 -11.247 -2.603) 14.809 6.175 ( -9.691 5.890 2.894) 11.704 6.572 ( -0.116 -10.172 3.671) 10.815 6.998 ( -1.725 3.601 1.114) 4.145 7.131 ( -2.646 -2.902 -6.504) 7.598 8.123 ( 0.127 6.767 0.276) 6.774 8.229 ( -0.095 2.693 3.455) 4.381 9.502 ( 12.603 10.859 -1.572) 16.709 9.664 ( -3.004 4.996 0.909) 5.900 9.912 ( 3.534 1.885 0.504) 4.036 10.064 ( 0.511 -5.920 -0.737) 5.988 10.265 ( 9.683 10.905 0.786) 14.605 10.419 ( -2.891 4.898 -0.116) 5.689 11.476 ( -4.355 -1.872 -0.421) 4.759 11.563 ( -5.316 -5.513 0.353) 7.667 ======================= Grid point 49 (29/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 -4.444 0.000) 4.444 0.888 ( 0.000 4.444 0.000) 4.444 1.203 ( 0.000 -0.381 0.000) 0.381 1.203 ( 0.000 0.381 0.000) 0.381 1.259 ( 0.000 -0.294 0.000) 0.294 1.259 ( 0.000 0.294 0.000) 0.294 1.618 ( 0.000 -7.136 0.000) 7.136 1.618 ( 0.000 7.136 0.000) 7.136 1.696 ( 0.000 -0.396 0.000) 0.396 1.696 ( 0.000 0.396 0.000) 0.396 1.792 ( 0.000 -0.296 0.000) 0.296 1.792 ( 0.000 0.296 0.000) 0.296 1.959 ( 0.000 -0.771 0.000) 0.771 1.959 ( 0.000 0.771 0.000) 0.771 2.213 ( 0.000 -2.028 0.000) 2.028 2.213 ( 0.000 2.028 0.000) 2.028 2.377 ( 0.000 -0.754 0.000) 0.754 2.377 ( 0.000 0.754 0.000) 0.754 2.613 ( 0.000 -1.760 0.000) 1.760 2.613 ( 0.000 1.760 0.000) 1.760 3.156 ( 0.000 -1.613 0.000) 1.613 3.156 ( 0.000 1.613 0.000) 1.613 4.354 ( 0.000 -0.580 0.000) 0.580 4.354 ( 0.000 0.580 0.000) 0.580 6.181 ( 0.000 -2.427 0.000) 2.427 6.181 ( 0.000 2.427 0.000) 2.427 6.664 ( 0.000 -14.616 0.000) 14.616 6.664 ( 0.000 14.616 0.000) 14.616 6.819 ( 0.000 -7.685 0.000) 7.685 6.819 ( 0.000 7.685 0.000) 7.685 7.271 ( 0.000 -4.406 0.000) 4.406 7.271 ( 0.000 4.406 0.000) 4.406 8.033 ( 0.000 -11.022 0.000) 11.022 8.033 ( 0.000 11.022 0.000) 11.022 9.061 ( 0.000 -2.386 0.000) 2.386 9.061 ( 0.000 2.386 0.000) 2.386 9.915 ( 0.000 -5.326 0.000) 5.326 9.915 ( 0.000 5.326 0.000) 5.326 10.048 ( 0.000 -2.016 0.000) 2.016 10.048 ( 0.000 2.016 0.000) 2.016 11.859 ( 0.000 -1.552 0.000) 1.552 11.859 ( 0.000 1.552 0.000) 1.552 ======================= Grid point 51 (30/144) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 2.387 -4.462 -0.097) 5.061 0.913 ( 2.387 4.462 -0.097) 5.061 1.173 ( -1.912 -0.360 0.314) 1.971 1.173 ( -1.912 0.360 0.314) 1.971 1.302 ( 2.916 -1.132 0.488) 3.166 1.302 ( 2.916 1.132 0.488) 3.166 1.620 ( 0.265 -7.718 -0.654) 7.750 1.620 ( 0.265 7.718 -0.654) 7.750 1.688 ( -0.059 -1.662 -0.841) 1.864 1.688 ( -0.059 1.662 -0.841) 1.864 1.802 ( 0.761 -4.292 -0.070) 4.360 1.802 ( 0.761 4.292 -0.070) 4.360 1.954 ( -0.941 -0.958 1.668) 2.142 1.954 ( -0.941 0.958 1.668) 2.142 2.200 ( -0.790 -2.787 -1.617) 3.318 2.200 ( -0.790 2.787 -1.617) 3.318 2.389 ( 0.868 -0.833 0.637) 1.361 2.389 ( 0.868 0.833 0.637) 1.361 2.602 ( -1.127 -1.904 0.081) 2.214 2.602 ( -1.127 1.904 0.081) 2.214 3.158 ( 0.195 -1.498 0.124) 1.516 3.158 ( 0.195 1.498 0.124) 1.516 4.333 ( -2.143 -0.884 -0.066) 2.319 4.333 ( -2.143 0.884 -0.066) 2.319 6.031 ( -12.334 -3.607 -3.664) 13.362 6.031 ( -12.334 3.607 -3.664) 13.362 6.470 ( -16.437 -10.742 0.412) 19.640 6.470 ( -16.437 10.742 0.412) 19.640 6.791 ( -16.242 -4.546 -0.474) 16.873 6.791 ( -16.242 4.546 -0.474) 16.873 7.124 ( -1.364 -9.525 0.454) 9.633 7.124 ( -1.364 9.525 0.454) 9.633 8.141 ( 5.441 -6.883 2.809) 9.212 8.141 ( 5.441 6.883 2.809) 9.212 9.165 ( 11.324 -4.354 -0.921) 12.168 9.165 ( 11.325 4.354 -0.921) 12.168 9.934 ( 1.182 -5.393 -0.653) 5.560 9.934 ( 1.182 5.393 -0.653) 5.560 10.111 ( 6.359 -3.877 1.353) 7.570 10.111 ( 6.359 3.877 1.353) 7.570 11.802 ( -5.831 -1.786 -0.168) 6.100 11.802 ( -5.831 1.786 -0.168) 6.100 ======================= Grid point 53 (31/144) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.683 -4.141 -0.082) 4.471 0.956 ( 1.683 4.141 -0.082) 4.471 1.155 ( -0.120 -0.616 0.393) 0.741 1.155 ( -0.120 0.616 0.393) 0.741 1.354 ( 1.989 -1.760 0.566) 2.716 1.354 ( 1.989 1.760 0.566) 2.716 1.613 ( -0.177 -5.936 -1.285) 6.076 1.613 ( -0.177 5.936 -1.285) 6.076 1.700 ( 1.281 -1.581 0.501) 2.096 1.700 ( 1.281 1.581 0.501) 2.096 1.812 ( 0.907 -3.765 -1.506) 4.155 1.812 ( 0.907 3.765 -1.506) 4.155 1.953 ( -0.721 -0.236 2.902) 3.000 1.953 ( -0.721 0.236 2.902) 3.000 2.168 ( -1.058 -3.859 -2.132) 4.535 2.168 ( -1.058 3.859 -2.132) 4.535 2.412 ( 1.101 -1.205 0.565) 1.727 2.412 ( 1.101 1.205 0.565) 1.727 2.573 ( -1.862 -2.069 0.105) 2.785 2.573 ( -1.862 2.069 0.105) 2.785 3.164 ( 0.236 -1.134 0.155) 1.169 3.164 ( 0.236 1.134 0.155) 1.169 4.279 ( -3.198 -1.346 -0.020) 3.470 4.279 ( -3.198 1.346 -0.020) 3.470 5.708 ( -20.855 -10.703 -1.572) 23.494 5.708 ( -20.855 10.703 -1.572) 23.494 6.067 ( -19.727 -12.532 -2.348) 23.488 6.067 ( -19.727 12.532 -2.348) 23.488 6.478 ( -11.908 -5.487 2.735) 13.394 6.478 ( -11.908 5.487 2.735) 13.394 7.138 ( -0.264 -4.344 -3.971) 5.891 7.138 ( -0.264 4.344 -3.971) 5.891 8.208 ( 0.036 -1.873 4.133) 4.538 8.208 ( 0.036 1.873 4.133) 4.538 9.442 ( 16.263 -8.797 -0.817) 18.508 9.442 ( 16.263 8.798 -0.817) 18.508 9.944 ( 0.264 -5.530 0.399) 5.551 9.944 ( 0.264 5.530 0.399) 5.551 10.275 ( 9.120 -7.142 0.625) 11.600 10.275 ( 9.120 7.142 0.625) 11.600 11.648 ( -9.639 -2.192 -0.254) 9.888 11.648 ( -9.639 2.192 -0.254) 9.888 ======================= Grid point 55 (32/144) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.235 -3.396 -0.005) 3.404 0.972 ( 0.235 3.396 -0.005) 3.404 1.164 ( 0.469 -1.586 0.151) 1.661 1.164 ( 0.469 1.586 0.151) 1.661 1.382 ( 0.632 -2.009 0.234) 2.119 1.382 ( 0.632 2.009 0.234) 2.119 1.604 ( -0.037 -3.066 -0.520) 3.110 1.604 ( -0.037 3.066 -0.520) 3.110 1.722 ( 0.430 -1.665 0.434) 1.774 1.722 ( 0.430 1.665 0.434) 1.774 1.826 ( 1.242 -4.497 -1.010) 4.773 1.826 ( 1.242 4.497 -1.010) 4.773 1.955 ( -0.670 -0.781 1.599) 1.902 1.955 ( -0.670 0.781 1.599) 1.902 2.142 ( -0.412 -4.524 -1.060) 4.665 2.142 ( -0.412 4.524 -1.060) 4.665 2.434 ( 0.731 -1.679 0.205) 1.843 2.434 ( 0.731 1.679 0.205) 1.843 2.541 ( -1.212 -2.138 0.041) 2.458 2.541 ( -1.212 2.138 0.041) 2.458 3.168 ( 0.066 -0.666 0.064) 0.672 3.168 ( 0.066 0.666 0.064) 0.672 4.228 ( -1.728 -0.878 0.053) 1.939 4.228 ( -1.728 0.878 0.053) 1.939 5.321 ( -13.393 -2.908 -0.061) 13.705 5.321 ( -13.393 2.908 -0.061) 13.705 5.833 ( -4.869 -4.895 -1.741) 7.120 5.833 ( -4.869 4.895 -1.741) 7.120 6.362 ( -2.999 -10.207 2.177) 10.858 6.362 ( -2.999 10.207 2.177) 10.859 7.072 ( -2.299 -3.230 -2.963) 4.949 7.072 ( -2.299 3.230 -2.963) 4.949 8.224 ( -0.234 -2.844 1.995) 3.482 8.224 ( -0.234 2.844 1.995) 3.482 9.675 ( 6.876 -4.815 -0.354) 8.401 9.675 ( 6.876 4.815 -0.354) 8.401 9.956 ( 0.643 -3.805 0.374) 3.877 9.956 ( 0.643 3.805 0.374) 3.877 10.426 ( 5.289 -4.035 0.212) 6.656 10.426 ( 5.289 4.035 0.212) 6.656 11.479 ( -6.107 -2.301 -0.152) 6.528 11.479 ( -6.107 2.301 -0.152) 6.528 ======================= Grid point 105 (33/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.135 ( 3.989 0.000 6.532) 7.654 0.202 ( -0.323 0.000 9.633) 9.638 0.287 ( -5.602 0.000 13.846) 14.937 0.662 ( 11.433 0.000 -7.101) 13.458 0.828 ( -1.891 0.000 -1.721) 2.557 0.950 ( -0.085 0.000 -4.123) 4.124 1.053 ( 0.292 0.000 -1.927) 1.949 1.059 ( -0.277 0.000 -0.409) 0.494 1.092 ( 0.521 0.000 0.303) 0.603 1.253 ( -1.994 0.000 2.931) 3.545 1.269 ( 0.550 0.000 0.417) 0.690 1.322 ( -0.234 0.000 -0.235) 0.332 1.551 ( -0.404 0.000 1.597) 1.648 1.626 ( 3.619 0.000 -6.055) 7.054 1.685 ( -0.601 0.000 -1.935) 2.027 1.778 ( -2.769 0.000 5.001) 5.716 1.899 ( 0.975 0.000 3.444) 3.579 2.126 ( 0.061 0.000 -0.253) 0.260 2.166 ( -1.731 0.000 4.199) 4.541 2.638 ( -1.771 0.000 -1.308) 2.202 2.829 ( -5.688 0.000 -2.656) 6.278 2.999 ( -0.029 0.000 -1.469) 1.469 3.411 ( 8.255 0.000 0.798) 8.293 3.939 ( -1.276 0.000 1.751) 2.166 5.523 ( 1.031 0.000 1.744) 2.026 5.779 ( -2.708 0.000 -3.051) 4.079 5.938 ( 1.589 0.000 1.210) 1.998 6.178 ( 0.141 0.000 -0.013) 0.142 6.373 ( -15.847 0.000 0.658) 15.860 6.588 ( 0.410 0.000 0.238) 0.474 7.100 ( 24.053 0.000 -6.352) 24.877 7.222 ( -4.876 0.000 -0.308) 4.886 7.634 ( -0.100 0.000 0.138) 0.170 8.295 ( -5.846 0.000 -5.178) 7.810 8.382 ( 0.046 0.000 -0.029) 0.055 8.546 ( -3.960 0.000 11.590) 12.248 8.654 ( 5.447 0.000 5.583) 7.800 9.937 ( -6.218 0.000 -8.706) 10.698 10.912 ( 0.351 0.000 3.446) 3.464 11.607 ( 15.847 0.000 -4.129) 16.376 12.020 ( -0.961 0.000 -0.708) 1.193 12.129 ( -0.933 0.000 3.060) 3.199 ======================= Grid point 106 (34/144) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 2.159 0.000 6.654) 6.995 0.350 ( 8.059 0.000 6.044) 10.073 0.408 ( 12.947 0.000 3.201) 13.337 0.827 ( 5.397 0.000 0.455) 5.416 0.926 ( 0.375 0.000 -4.212) 4.228 0.972 ( 14.659 0.000 -13.420) 19.874 1.013 ( -3.634 0.000 -0.255) 3.643 1.028 ( -1.153 0.000 -1.578) 1.954 1.092 ( -0.978 0.000 0.285) 1.018 1.192 ( -5.430 0.000 2.167) 5.847 1.287 ( 0.941 0.000 0.243) 0.972 1.330 ( 1.147 0.000 -0.176) 1.161 1.577 ( 2.089 0.000 1.430) 2.531 1.596 ( -0.583 0.000 -5.866) 5.895 1.686 ( -0.653 0.000 1.426) 1.568 1.793 ( 2.336 0.000 3.163) 3.932 1.978 ( 4.080 0.000 4.021) 5.728 2.129 ( 0.322 0.000 -0.248) 0.407 2.151 ( -1.699 0.000 7.309) 7.504 2.621 ( -1.034 0.000 -0.599) 1.195 2.839 ( 3.936 0.000 -4.905) 6.288 2.989 ( -0.100 0.000 -1.242) 1.246 3.468 ( -1.215 0.000 -0.882) 1.501 3.932 ( -0.332 0.000 1.275) 1.317 5.453 ( -10.577 0.000 1.079) 10.632 5.691 ( -4.169 0.000 -1.222) 4.344 5.906 ( -5.329 0.000 -0.319) 5.339 6.005 ( -14.371 0.000 0.381) 14.376 6.194 ( -10.631 0.000 -0.250) 10.634 6.667 ( 5.677 0.000 -0.201) 5.681 7.084 ( -5.275 0.000 -7.725) 9.354 7.546 ( 22.799 0.000 -15.173) 27.386 7.743 ( 9.766 0.000 0.105) 9.767 8.257 ( -2.913 0.000 4.902) 5.702 8.469 ( 8.032 0.000 -0.026) 8.032 8.548 ( 1.987 0.000 2.014) 2.829 9.025 ( 24.970 0.000 10.902) 27.247 9.849 ( 1.119 0.000 -5.567) 5.679 10.898 ( -3.986 0.000 3.342) 5.202 11.680 ( 0.877 0.000 -9.388) 9.429 11.871 ( -9.091 0.000 2.541) 9.439 12.099 ( -4.188 0.000 2.938) 5.116 ======================= Grid point 107 (35/144) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 5.945 0.000 0.591) 5.974 0.535 ( 7.551 0.000 3.394) 8.278 0.616 ( 8.556 0.000 -2.808) 9.005 0.897 ( -2.217 0.000 -2.622) 3.433 0.907 ( 0.141 0.000 3.333) 3.336 0.948 ( -1.352 0.000 -0.999) 1.681 1.011 ( 0.291 0.000 0.230) 0.371 1.066 ( -1.795 0.000 0.581) 1.887 1.090 ( 1.721 0.000 -3.462) 3.866 1.137 ( 3.396 0.000 -3.580) 4.934 1.302 ( 0.617 0.000 -0.516) 0.805 1.356 ( 1.332 0.000 0.285) 1.362 1.560 ( 0.443 0.000 -4.539) 4.560 1.645 ( 3.972 0.000 1.001) 4.097 1.652 ( -4.085 0.000 3.476) 5.364 1.899 ( 6.391 0.000 0.349) 6.400 2.076 ( 3.772 0.000 2.099) 4.317 2.132 ( 0.116 0.000 -0.220) 0.249 2.174 ( -0.486 0.000 4.472) 4.499 2.600 ( -0.980 0.000 1.298) 1.626 2.861 ( 1.303 0.000 -3.441) 3.679 2.982 ( 0.051 0.000 -0.363) 0.367 3.399 ( -4.773 0.000 -0.493) 4.798 3.938 ( 0.077 0.000 0.992) 0.995 5.191 ( -14.658 0.000 -0.081) 14.659 5.492 ( -18.217 0.000 0.371) 18.220 5.755 ( -3.152 0.000 0.024) 3.152 5.871 ( -3.141 0.000 -0.367) 3.162 5.977 ( -10.207 0.000 -1.301) 10.289 6.747 ( 2.469 0.000 1.492) 2.885 6.953 ( -3.252 0.000 -5.318) 6.234 7.716 ( 3.085 0.000 -7.188) 7.822 7.935 ( 9.101 0.000 0.092) 9.102 8.327 ( 8.000 0.000 6.850) 10.532 8.630 ( 3.868 0.000 2.242) 4.471 8.633 ( 8.039 0.000 -0.042) 8.039 9.543 ( 16.714 0.000 9.207) 19.082 9.881 ( 7.400 0.000 -4.402) 8.611 10.820 ( -5.567 0.000 2.291) 6.020 11.614 ( 0.963 0.000 -11.358) 11.398 11.769 ( -3.039 0.000 -1.343) 3.322 12.017 ( -6.066 0.000 3.174) 6.847 ======================= Grid point 108 (36/144) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 7.088 0.000 -2.556) 7.535 0.658 ( 2.673 0.000 1.695) 3.165 0.715 ( 5.089 0.000 -3.953) 6.444 0.823 ( -2.322 0.000 -1.309) 2.666 0.862 ( -6.675 0.000 3.337) 7.463 0.952 ( 1.618 0.000 -0.785) 1.799 1.023 ( 0.443 0.000 0.776) 0.894 1.039 ( -1.389 0.000 0.557) 1.496 1.084 ( -1.074 0.000 1.810) 2.105 1.197 ( 4.736 0.000 -5.719) 7.426 1.304 ( 0.179 0.000 -0.979) 0.996 1.377 ( 0.494 0.000 0.483) 0.691 1.557 ( 0.894 0.000 -2.704) 2.848 1.583 ( -3.796 0.000 0.713) 3.863 1.719 ( 2.372 0.000 0.661) 2.462 2.002 ( 3.483 0.000 0.242) 3.491 2.129 ( -0.182 0.000 -0.194) 0.266 2.134 ( 1.577 0.000 -0.955) 1.844 2.183 ( -1.577 0.000 5.004) 5.246 2.602 ( -0.381 0.000 2.061) 2.096 2.860 ( 1.159 0.000 -2.155) 2.447 2.990 ( 0.641 0.000 0.784) 1.013 3.308 ( -3.497 0.000 -1.190) 3.694 3.946 ( 0.100 0.000 1.178) 1.182 4.981 ( -6.017 0.000 -0.064) 6.017 5.197 ( -9.577 0.000 0.047) 9.577 5.736 ( -0.365 0.000 0.841) 0.917 5.829 ( -0.941 0.000 -0.862) 1.276 5.832 ( -3.201 0.000 -2.200) 3.884 6.781 ( 0.431 0.000 1.344) 1.411 6.935 ( 2.126 0.000 4.193) 4.701 7.697 ( 0.380 0.000 -0.906) 0.983 8.059 ( 3.424 0.000 0.100) 3.426 8.514 ( 4.824 0.000 1.815) 5.154 8.713 ( 2.830 0.000 5.181) 5.904 8.742 ( 3.113 0.000 -0.058) 3.113 9.645 ( -2.980 0.000 -4.242) 5.184 10.088 ( 6.755 0.000 7.289) 9.938 10.740 ( -3.537 0.000 0.987) 3.672 11.579 ( 3.862 0.000 -15.971) 16.431 11.728 ( 0.039 0.000 -1.405) 1.406 11.939 ( -3.832 0.000 4.119) 5.626 ======================= Grid point 109 (37/144) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -6.338 0.000 0.558) 6.363 0.627 ( 3.839 0.000 -3.918) 5.485 0.707 ( -10.916 0.000 1.508) 11.020 0.784 ( 3.616 0.000 -1.175) 3.802 0.845 ( 4.215 0.000 -0.681) 4.270 0.989 ( 2.261 0.000 0.403) 2.297 0.996 ( -4.697 0.000 -0.162) 4.700 1.020 ( -0.830 0.000 -0.111) 0.837 1.093 ( 2.907 0.000 -0.593) 2.966 1.268 ( 5.633 0.000 -1.131) 5.745 1.296 ( -0.322 0.000 -1.081) 1.128 1.379 ( -0.554 0.000 0.465) 0.723 1.464 ( -6.431 0.000 -0.863) 6.488 1.602 ( 3.208 0.000 -2.682) 4.182 1.716 ( -3.050 0.000 0.611) 3.110 2.013 ( -2.437 0.000 0.252) 2.450 2.124 ( -1.857 0.000 -0.755) 2.005 2.130 ( 0.365 0.000 -0.180) 0.407 2.172 ( -3.502 0.000 4.733) 5.888 2.603 ( -0.606 0.000 2.234) 2.315 2.890 ( 3.139 0.000 -1.801) 3.619 3.011 ( 0.720 0.000 1.498) 1.662 3.274 ( 1.144 0.000 -2.070) 2.365 3.956 ( 0.003 0.000 1.332) 1.332 4.981 ( 5.964 0.000 -0.059) 5.964 5.196 ( 9.497 0.000 0.016) 9.497 5.743 ( 0.542 0.000 1.104) 1.229 5.824 ( 0.924 0.000 -1.098) 1.435 5.844 ( 6.147 0.000 -2.041) 6.477 6.810 ( 2.128 0.000 0.098) 2.130 7.051 ( 3.986 0.000 11.216) 11.903 7.742 ( 4.638 0.000 -2.263) 5.160 8.059 ( -3.446 0.000 0.111) 3.447 8.511 ( -3.640 0.000 -1.723) 4.027 8.742 ( -3.112 0.000 -0.067) 3.112 8.780 ( -1.468 0.000 7.179) 7.328 9.487 ( -10.483 0.000 -1.042) 10.535 10.115 ( -7.229 0.000 4.663) 8.602 10.712 ( 0.344 0.000 0.364) 0.501 11.513 ( -0.070 0.000 -17.569) 17.569 11.761 ( 4.000 0.000 -1.034) 4.132 11.947 ( 1.716 0.000 3.874) 4.237 ======================= Grid point 110 (38/144) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -9.888 0.000 1.529) 10.005 0.490 ( -12.028 0.000 0.578) 12.042 0.629 ( -3.914 0.000 0.277) 3.924 0.752 ( -5.182 0.000 -3.936) 6.507 0.932 ( 5.082 0.000 -0.726) 5.133 0.956 ( 2.972 0.000 -1.244) 3.222 1.002 ( -0.641 0.000 -1.158) 1.323 1.038 ( 2.353 0.000 0.624) 2.435 1.156 ( 3.161 0.000 -0.663) 3.229 1.280 ( -0.630 0.000 -0.780) 1.002 1.328 ( -6.476 0.000 -2.713) 7.021 1.364 ( -1.295 0.000 0.302) 1.329 1.391 ( 7.311 0.000 0.226) 7.315 1.639 ( -4.686 0.000 0.891) 4.770 1.648 ( 3.020 0.000 -1.496) 3.370 1.933 ( -5.814 0.000 1.131) 5.923 2.032 ( -6.269 0.000 -3.132) 7.007 2.130 ( -4.657 0.000 7.884) 9.157 2.133 ( 0.031 0.000 -0.193) 0.195 2.623 ( 1.074 0.000 2.410) 2.638 2.945 ( 3.941 0.000 -2.313) 4.570 3.034 ( 0.515 0.000 1.324) 1.421 3.306 ( 3.074 0.000 -3.118) 4.379 3.959 ( -0.668 0.000 1.377) 1.531 5.181 ( 13.730 0.000 -0.268) 13.732 5.499 ( 19.478 0.000 0.488) 19.484 5.788 ( 4.372 0.000 1.428) 4.599 5.841 ( 1.615 0.000 -1.702) 2.346 6.030 ( 13.849 0.000 -0.719) 13.868 6.832 ( -0.388 0.000 -0.984) 1.058 7.203 ( 3.142 0.000 11.699) 12.114 7.774 ( 2.303 0.000 -16.471) 16.631 7.937 ( -9.144 0.000 0.120) 9.145 8.416 ( -4.055 0.000 0.516) 4.088 8.632 ( -8.027 0.000 -0.064) 8.027 8.711 ( -7.776 0.000 -1.372) 7.896 9.295 ( -15.829 0.000 17.638) 23.699 9.961 ( -6.425 0.000 -0.326) 6.434 10.757 ( 3.676 0.000 0.958) 3.799 11.347 ( -5.049 0.000 -17.242) 17.966 11.842 ( 4.887 0.000 -1.477) 5.105 12.025 ( 3.414 0.000 3.150) 4.645 ======================= Grid point 111 (39/144) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -11.783 0.000 1.280) 11.852 0.283 ( -10.803 0.000 4.902) 11.863 0.434 ( -15.829 0.000 8.565) 17.998 0.684 ( 1.033 0.000 -9.234) 9.292 0.979 ( -0.432 0.000 -2.942) 2.974 1.018 ( 4.128 0.000 -0.673) 4.183 1.024 ( 3.703 0.000 -1.098) 3.863 1.078 ( 1.180 0.000 0.668) 1.356 1.089 ( -10.341 0.000 -9.904) 14.319 1.247 ( -0.330 0.000 2.047) 2.074 1.266 ( -0.369 0.000 -0.142) 0.395 1.339 ( -1.286 0.000 0.035) 1.286 1.533 ( 7.576 0.000 -1.367) 7.699 1.573 ( -2.865 0.000 1.345) 3.165 1.690 ( 1.835 0.000 -1.448) 2.337 1.832 ( -5.477 0.000 2.737) 6.123 1.905 ( -3.905 0.000 -0.533) 3.941 2.113 ( -2.050 0.000 9.455) 9.675 2.130 ( -0.195 0.000 -0.228) 0.300 2.658 ( 0.726 0.000 1.280) 1.471 2.995 ( 2.224 0.000 -3.278) 3.962 3.042 ( -0.426 0.000 -4.102) 4.124 3.311 ( -0.672 0.000 -1.968) 2.080 3.949 ( -1.245 0.000 1.685) 2.095 5.419 ( 9.546 0.000 0.180) 9.548 5.776 ( 6.337 0.000 1.281) 6.466 5.863 ( 3.020 0.000 -1.774) 3.502 5.997 ( 15.594 0.000 0.225) 15.595 6.330 ( 16.925 0.000 -0.493) 16.933 6.777 ( -4.465 0.000 -1.286) 4.646 7.273 ( -2.621 0.000 5.788) 6.354 7.448 ( -22.744 0.000 -39.816) 45.854 7.745 ( -9.876 0.000 0.134) 9.877 8.416 ( 0.767 0.000 5.118) 5.175 8.468 ( -7.978 0.000 -0.048) 7.978 8.563 ( -5.295 0.000 1.791) 5.590 8.918 ( -29.748 0.000 -4.521) 30.090 10.016 ( 6.656 0.000 2.051) 6.965 10.845 ( 4.022 0.000 2.475) 4.722 11.216 ( 4.664 0.000 5.140) 6.941 11.927 ( 5.310 0.000 -0.486) 5.333 12.098 ( 1.913 0.000 3.040) 3.592 ======================= Grid point 112 (40/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( -0.124 8.165 1.389) 8.283 0.330 ( -3.755 6.737 8.322) 11.346 0.579 ( -1.016 19.337 2.352) 19.506 0.656 ( 9.600 0.884 -5.914) 11.310 0.817 ( -3.735 0.067 -0.735) 3.807 1.019 ( 0.551 -1.529 -2.223) 2.754 1.039 ( -1.033 6.605 -1.497) 6.851 1.134 ( -0.150 6.114 -0.159) 6.118 1.200 ( 1.264 8.582 -0.049) 8.675 1.245 ( -1.988 0.017 1.940) 2.777 1.359 ( 0.789 7.548 0.670) 7.619 1.405 ( -0.660 7.101 -0.278) 7.137 1.566 ( 0.558 0.114 -3.351) 3.399 1.637 ( 2.428 -1.541 -0.237) 2.885 1.761 ( -0.434 8.908 -1.675) 9.074 1.769 ( -2.540 1.527 3.389) 4.502 1.880 ( 1.763 -0.783 2.923) 3.502 2.073 ( -0.624 0.632 4.514) 4.600 2.321 ( -0.665 12.884 1.805) 13.027 2.635 ( -2.662 0.194 -1.671) 3.149 2.777 ( -0.057 -3.190 -2.148) 3.846 2.959 ( -0.149 -3.232 -1.309) 3.490 3.345 ( 3.181 -2.851 3.337) 5.421 3.889 ( -1.070 -4.100 1.565) 4.517 5.783 ( 3.182 -2.181 -3.480) 5.196 5.827 ( -0.024 1.729 -3.221) 3.656 6.042 ( 1.482 -0.241 0.671) 1.645 6.300 ( -3.735 -4.280 -6.270) 8.460 6.515 ( -2.107 10.698 -7.399) 13.177 6.799 ( -16.349 31.282 -17.722) 39.496 7.051 ( 20.644 1.413 -9.287) 22.681 7.210 ( -5.827 -3.887 -8.953) 11.368 7.568 ( 2.225 9.183 1.210) 9.526 8.147 ( 5.787 -14.695 3.587) 16.196 8.330 ( -4.872 -11.722 3.429) 13.149 8.836 ( -2.594 10.476 3.414) 11.320 9.042 ( 0.594 38.855 0.043) 38.860 9.927 ( -4.245 0.457 -7.939) 9.014 10.863 ( 0.525 -5.214 3.435) 6.266 11.038 ( 10.983 -36.180 27.161) 46.555 11.842 ( -1.614 -7.424 0.888) 7.649 12.082 ( -0.656 -4.012 3.355) 5.271 ======================= Grid point 113 (41/144) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 5.588 4.554 2.824) 7.742 0.424 ( 7.783 2.637 3.680) 9.004 0.615 ( 3.210 14.396 0.814) 14.772 0.827 ( 4.832 0.900 0.867) 4.991 0.884 ( 12.177 -3.954 -8.893) 15.589 0.995 ( -1.466 1.261 -1.880) 2.697 1.019 ( -0.673 4.233 -0.394) 4.304 1.101 ( -2.573 6.677 -0.475) 7.172 1.170 ( -2.879 5.100 1.120) 5.962 1.244 ( -1.001 6.240 1.178) 6.429 1.380 ( 1.062 7.548 0.370) 7.631 1.401 ( 0.627 6.331 -0.260) 6.367 1.555 ( 0.852 0.200 -3.338) 3.451 1.661 ( -1.114 -1.490 2.054) 2.771 1.759 ( 2.063 11.150 -2.298) 11.569 1.785 ( 2.341 -0.262 2.770) 3.636 1.967 ( 4.290 -0.802 3.285) 5.462 2.099 ( 0.662 0.579 3.177) 3.297 2.319 ( -0.660 12.664 1.444) 12.763 2.605 ( -0.723 -0.321 -0.152) 0.806 2.813 ( 4.123 -1.890 -4.028) 6.066 2.955 ( 0.293 -2.881 -0.922) 3.039 3.396 ( -0.304 -4.526 1.714) 4.849 3.890 ( 0.194 -3.600 1.165) 3.788 5.623 ( -10.008 3.005 -1.596) 10.570 5.879 ( 1.358 7.041 -5.796) 9.220 5.978 ( -5.243 6.159 0.772) 8.125 6.187 ( -9.111 31.210 -8.852) 33.696 6.390 ( -8.732 5.511 0.620) 10.345 6.605 ( 2.976 -0.372 1.778) 3.487 7.070 ( -0.968 -1.603 -12.681) 12.819 7.465 ( 25.450 -10.043 -9.282) 28.891 7.625 ( 3.706 3.417 1.120) 5.163 8.199 ( -8.103 -8.302 3.832) 12.218 8.306 ( 7.274 -7.093 2.474) 10.457 8.846 ( 0.717 9.034 2.295) 9.349 9.234 ( 14.534 21.591 5.370) 26.575 9.842 ( -0.636 0.753 -4.976) 5.073 10.849 ( -3.602 -4.614 2.852) 6.511 11.247 ( 0.797 -34.861 5.361) 35.280 11.796 ( -3.008 -4.753 0.054) 5.625 12.068 ( -3.072 -2.479 3.212) 5.089 ======================= Grid point 114 (42/144) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 7.496 5.011 0.125) 9.017 0.596 ( 8.245 -0.845 -1.494) 8.422 0.694 ( 4.491 9.676 1.159) 10.730 0.903 ( 1.701 0.192 1.165) 2.070 0.940 ( -2.864 2.972 -0.991) 4.245 0.965 ( -1.504 0.594 -1.504) 2.209 1.025 ( 4.413 -0.874 -5.265) 6.925 1.088 ( 1.532 5.579 0.746) 5.833 1.119 ( -3.165 6.551 1.760) 7.485 1.230 ( -0.569 8.074 0.939) 8.148 1.390 ( 0.150 6.188 -1.044) 6.278 1.425 ( 1.141 6.182 0.809) 6.338 1.553 ( 1.309 1.051 -3.392) 3.784 1.633 ( -3.457 -0.668 3.591) 5.029 1.793 ( 2.896 10.163 -0.835) 10.600 1.889 ( 6.267 -0.279 0.114) 6.274 2.056 ( 3.277 -1.359 0.731) 3.622 2.136 ( 0.826 0.249 3.184) 3.299 2.312 ( -0.764 11.749 0.475) 11.784 2.596 ( -0.464 0.660 1.466) 1.673 2.846 ( 1.693 -0.894 -3.041) 3.593 2.956 ( 0.270 -2.349 -0.112) 2.367 3.360 ( -3.499 -3.007 0.183) 4.617 3.905 ( 0.503 -2.891 0.964) 3.089 5.431 ( -8.809 13.864 -1.127) 16.465 5.753 ( -9.416 21.834 -3.863) 24.089 5.925 ( -0.822 13.841 -2.107) 14.024 5.981 ( -8.289 19.493 -0.783) 21.196 6.191 ( -9.643 14.753 1.580) 17.695 6.714 ( 3.424 -3.418 2.434) 5.416 6.982 ( -0.854 2.762 -7.139) 7.702 7.674 ( 1.304 -1.304 -2.326) 2.968 7.900 ( 20.947 -6.893 -2.496) 22.193 8.185 ( 6.406 -9.364 3.312) 11.819 8.443 ( 4.244 -6.244 4.653) 8.868 8.865 ( 0.446 7.499 -0.355) 7.521 9.534 ( 9.696 -0.628 7.032) 11.994 9.819 ( 1.327 -4.684 -3.290) 5.876 10.780 ( -4.889 -3.771 2.230) 6.565 11.228 ( -0.662 -33.758 -6.581) 34.400 11.746 ( -1.549 -2.022 -1.393) 2.904 12.014 ( -4.545 -0.055 3.283) 5.607 ======================= Grid point 115 (43/144) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 6.153 4.048 -3.328) 8.082 0.702 ( 5.211 -0.018 -2.304) 5.697 0.797 ( 4.241 5.814 1.526) 7.356 0.851 ( -4.900 6.787 1.088) 8.442 0.897 ( -3.737 1.062 0.601) 3.932 0.947 ( 0.290 -0.846 -0.373) 0.969 1.043 ( 0.845 2.436 -2.631) 3.684 1.076 ( -1.408 5.901 1.563) 6.264 1.141 ( 1.679 4.081 0.508) 4.442 1.243 ( 1.809 7.014 -0.301) 7.250 1.373 ( -1.310 4.052 -0.893) 4.351 1.443 ( 0.163 5.741 0.843) 5.805 1.566 ( 2.275 1.425 -3.034) 4.051 1.578 ( -4.224 1.464 1.673) 4.773 1.841 ( 1.985 9.489 -0.494) 9.707 1.991 ( 3.726 -0.771 0.152) 3.808 2.091 ( 0.578 -2.099 -1.269) 2.520 2.164 ( -0.420 -0.408 4.018) 4.060 2.300 ( -0.508 11.380 -0.012) 11.391 2.604 ( -0.224 1.224 2.054) 2.402 2.850 ( 1.017 -0.416 -1.969) 2.255 2.966 ( 0.533 -2.268 0.823) 2.471 3.291 ( -2.817 -1.399 -1.102) 3.333 3.919 ( 0.244 -2.510 1.156) 2.774 5.304 ( -3.314 25.396 -0.574) 25.618 5.580 ( -5.298 33.308 -0.609) 33.732 5.845 ( -2.770 8.499 -3.818) 9.720 5.927 ( 1.451 15.550 -1.497) 15.689 6.074 ( -4.278 17.096 1.640) 17.699 6.753 ( 0.074 -2.251 1.898) 2.945 6.988 ( 3.315 5.202 2.771) 6.762 7.656 ( -0.390 -2.728 0.574) 2.815 8.171 ( 7.190 9.381 -1.164) 11.877 8.378 ( 7.639 -11.391 0.244) 13.717 8.532 ( 1.933 -12.608 7.388) 14.741 8.869 ( 1.312 6.447 -1.252) 6.697 9.586 ( -4.901 -5.780 -2.293) 7.917 9.885 ( 3.119 -18.379 5.147) 19.339 10.713 ( -3.021 -2.515 1.488) 4.203 11.167 ( 1.056 -36.824 -13.264) 39.154 11.727 ( 0.761 -0.128 -1.573) 1.752 11.957 ( -3.272 1.446 3.642) 5.105 ======================= Grid point 116 (44/144) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 2.244 1.031 -4.772) 5.373 0.718 ( -5.210 3.255 -1.895) 6.429 0.749 ( -8.755 4.395 3.383) 10.364 0.823 ( 2.915 6.338 1.007) 7.049 0.912 ( 4.442 4.249 -1.248) 6.272 0.938 ( -1.190 -2.325 -0.817) 2.737 1.049 ( 0.565 4.380 0.548) 4.450 1.075 ( 0.492 6.904 0.012) 6.922 1.164 ( 0.842 5.387 1.240) 5.592 1.300 ( 4.688 4.227 -1.059) 6.401 1.330 ( -2.796 1.248 -0.273) 3.074 1.443 ( -0.567 5.501 0.565) 5.559 1.496 ( -4.511 4.670 -0.400) 6.505 1.593 ( 1.777 0.980 -1.717) 2.658 1.845 ( -1.246 9.386 -0.609) 9.488 2.003 ( -2.464 -0.778 -0.430) 2.619 2.081 ( -1.206 -1.931 0.613) 2.358 2.160 ( -2.503 -0.173 2.295) 3.400 2.298 ( 0.248 11.545 0.357) 11.553 2.608 ( -0.616 1.521 2.394) 2.903 2.871 ( 2.205 -1.247 -1.776) 3.094 2.984 ( 0.513 -2.558 1.377) 2.950 3.259 ( 0.521 -1.216 -1.940) 2.348 3.928 ( -0.173 -2.574 1.329) 2.902 5.308 ( 3.906 25.835 -0.499) 26.133 5.587 ( 6.487 33.936 -0.325) 34.552 5.826 ( 3.196 7.378 -3.241) 8.669 5.968 ( 2.323 13.795 -2.184) 14.159 6.061 ( 3.898 18.778 1.730) 19.256 6.773 ( 0.959 -3.269 0.938) 3.534 7.114 ( 5.146 6.390 9.324) 12.420 7.694 ( 3.586 -3.646 -0.369) 5.127 8.131 ( -9.433 3.335 -0.911) 10.046 8.396 ( -4.839 -10.399 -0.264) 11.473 8.603 ( 0.441 -5.029 1.588) 5.292 8.910 ( 1.292 6.794 3.703) 7.845 9.414 ( -10.225 -7.656 0.225) 12.776 9.924 ( -1.841 -17.081 3.044) 17.447 10.695 ( 0.345 -1.710 0.994) 2.008 11.083 ( -0.590 -38.468 -15.931) 41.641 11.755 ( 2.927 -0.654 -1.448) 3.330 11.950 ( -0.006 0.474 3.785) 3.814 ======================= Grid point 117 (45/144) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -10.124 4.374 -0.453) 11.038 0.601 ( -9.712 6.408 3.897) 12.271 0.652 ( 0.615 0.486 -4.766) 4.830 0.804 ( -6.357 9.017 -0.461) 11.042 0.945 ( 3.506 0.043 -1.434) 3.788 0.986 ( 3.818 2.187 -1.522) 4.656 1.066 ( 0.493 4.490 1.216) 4.678 1.097 ( 1.954 7.427 -0.603) 7.704 1.181 ( -1.149 2.560 0.640) 2.878 1.275 ( -1.890 1.139 0.453) 2.252 1.398 ( 4.454 3.391 -4.143) 6.964 1.412 ( -1.360 5.391 1.468) 5.750 1.438 ( -1.049 6.456 1.716) 6.762 1.608 ( 0.609 0.356 -0.302) 0.767 1.802 ( -2.199 8.850 -0.819) 9.156 1.923 ( -5.167 -0.477 0.188) 5.192 2.021 ( -5.056 -0.146 -1.974) 5.430 2.112 ( -4.000 1.341 4.346) 6.057 2.308 ( 0.251 12.294 0.887) 12.329 2.626 ( 0.847 1.134 2.712) 3.059 2.897 ( 1.645 -3.379 -2.388) 4.452 2.999 ( -0.022 -3.056 0.963) 3.204 3.272 ( 1.625 -2.238 -1.915) 3.364 3.926 ( -1.083 -3.021 1.398) 3.500 5.427 ( 8.662 13.363 -1.263) 15.975 5.771 ( 10.582 16.018 -2.244) 19.329 5.955 ( 13.978 25.221 -1.052) 28.855 5.966 ( -0.150 11.198 -1.677) 11.324 6.248 ( 12.633 17.116 1.402) 21.319 6.771 ( -2.588 -5.563 0.448) 6.151 7.283 ( 5.286 8.139 9.750) 13.757 7.721 ( -1.546 -6.408 -6.483) 9.246 7.875 ( -12.765 -6.776 -5.334) 15.405 8.267 ( -8.066 -10.040 4.442) 13.623 8.487 ( -7.996 -2.827 -15.276) 17.473 8.939 ( -3.218 7.737 9.424) 12.611 9.282 ( -7.561 0.442 11.838) 14.054 9.899 ( -0.186 -5.380 1.318) 5.542 10.732 ( 2.436 -3.777 0.171) 4.498 10.922 ( -6.215 -34.274 -12.825) 37.119 11.804 ( 2.910 -3.414 -1.430) 4.708 11.996 ( 1.948 -1.748 3.555) 4.415 ======================= Grid point 118 (46/144) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -8.963 6.984 0.205) 11.365 0.435 ( -10.482 6.770 5.960) 13.828 0.619 ( -2.205 5.128 -1.373) 5.749 0.666 ( -4.692 10.988 -3.607) 12.480 0.973 ( -5.641 -1.290 -2.233) 6.203 1.001 ( 2.468 -0.682 -1.536) 2.986 1.073 ( -1.279 3.155 -1.734) 3.821 1.128 ( 0.672 5.375 -0.345) 5.427 1.144 ( 2.030 6.745 0.098) 7.044 1.274 ( -0.718 3.111 1.641) 3.590 1.354 ( -1.243 7.190 -0.297) 7.303 1.421 ( -0.868 7.124 0.318) 7.184 1.523 ( 5.811 0.304 -1.140) 5.930 1.613 ( -0.085 0.581 0.449) 0.739 1.769 ( -1.115 4.765 0.568) 4.927 1.833 ( -4.024 2.786 0.299) 4.904 1.901 ( -4.650 1.235 -1.803) 5.138 2.075 ( -3.212 1.612 5.770) 6.797 2.317 ( -0.067 12.864 1.342) 12.934 2.661 ( 0.720 0.813 1.369) 1.748 2.873 ( -3.628 -7.362 -3.377) 8.875 2.983 ( -1.415 -3.402 -1.117) 3.850 3.286 ( 0.955 -1.399 0.648) 1.814 3.907 ( -1.732 -3.699 1.547) 4.367 5.603 ( 11.055 1.323 -2.217) 11.353 5.884 ( 2.006 2.129 -3.329) 4.431 5.968 ( 2.704 7.006 0.031) 7.510 6.300 ( 17.641 27.195 -3.723) 32.629 6.478 ( 8.040 5.465 -2.198) 9.967 6.711 ( 1.987 1.032 0.590) 2.316 7.344 ( -10.801 -2.253 2.184) 11.248 7.504 ( -11.759 1.045 -4.113) 12.501 7.601 ( -5.253 7.742 -34.331) 35.583 8.122 ( -6.572 -15.800 -0.860) 17.133 8.325 ( -0.840 -10.818 4.513) 11.751 8.896 ( -5.467 12.505 4.625) 14.410 9.181 ( -9.885 20.332 1.317) 22.646 9.991 ( 5.397 -1.905 0.174) 5.726 10.705 ( -3.814 -27.661 13.318) 30.936 10.837 ( 1.235 -6.510 4.558) 8.042 11.840 ( 1.484 -6.096 -0.679) 6.311 12.053 ( 1.324 -3.606 3.422) 5.145 ======================= Grid point 119 (47/144) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.639 3.679 -0.529) 3.772 0.488 ( -3.761 10.719 0.946) 11.399 0.679 ( 4.405 1.518 -1.813) 5.000 0.815 ( -1.646 6.848 -1.531) 7.207 0.955 ( -1.510 8.572 -3.993) 9.576 1.022 ( 1.464 2.498 -2.951) 4.135 1.191 ( -2.087 3.637 2.703) 4.988 1.257 ( 1.698 8.519 2.925) 9.166 1.310 ( -2.700 8.737 0.849) 9.185 1.416 ( 1.726 11.374 1.306) 11.578 1.529 ( 0.495 4.579 0.581) 4.642 1.578 ( -0.593 7.718 0.380) 7.750 1.602 ( 0.699 3.583 -0.727) 3.722 1.634 ( 0.451 6.168 -2.612) 6.713 1.779 ( -1.597 1.564 3.563) 4.206 1.873 ( 1.878 0.134 2.193) 2.890 1.953 ( -1.680 6.704 1.852) 7.155 2.180 ( 0.230 7.069 -2.398) 7.468 2.571 ( 0.412 5.565 -3.323) 6.494 2.707 ( -3.063 9.787 -0.382) 10.262 2.765 ( 2.107 4.853 -0.170) 5.293 2.888 ( -0.118 -2.976 -0.370) 3.001 3.318 ( 1.260 0.924 1.674) 2.291 3.799 ( -0.931 -3.904 1.635) 4.333 5.681 ( 3.335 -6.956 -0.494) 7.730 5.818 ( 1.231 -0.511 -2.650) 2.967 5.989 ( -0.094 -14.382 -2.307) 14.566 6.132 ( 0.542 3.200 -0.502) 3.284 6.445 ( -0.736 -10.885 -0.631) 10.928 7.042 ( -2.290 -5.569 3.887) 7.167 7.247 ( -0.773 4.566 -0.691) 4.682 7.454 ( -4.265 19.382 -33.333) 38.793 7.723 ( -0.030 -4.071 3.184) 5.169 7.948 ( 4.305 3.682 0.893) 5.735 8.219 ( -0.792 10.720 -1.379) 10.837 8.995 ( -1.414 5.325 1.736) 5.777 9.644 ( -0.510 17.749 7.493) 19.273 10.014 ( -0.139 8.389 -4.711) 9.622 10.492 ( 4.773 -16.030 15.354) 22.705 10.754 ( -0.853 -7.194 1.585) 7.416 11.695 ( -0.493 -6.704 0.006) 6.722 11.991 ( 0.023 -4.020 3.878) 5.586 ======================= Grid point 120 (48/144) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 6.566 3.551 -1.104) 7.546 0.493 ( 3.890 8.933 0.238) 9.746 0.750 ( 3.516 1.802 0.373) 3.968 0.864 ( 5.290 2.898 -3.289) 6.870 0.918 ( 1.155 4.826 -3.368) 5.997 1.025 ( 0.489 2.993 -2.068) 3.670 1.159 ( -2.352 5.791 1.410) 6.407 1.251 ( -2.392 7.235 1.139) 7.705 1.314 ( 0.355 11.327 2.645) 11.637 1.442 ( -0.146 11.495 1.645) 11.613 1.543 ( 0.375 4.825 1.493) 5.064 1.558 ( -1.190 8.472 -0.736) 8.587 1.609 ( 0.728 4.709 -1.354) 4.954 1.651 ( 2.091 3.732 -1.140) 4.428 1.781 ( 0.531 0.409 3.083) 3.155 1.941 ( 2.443 1.280 0.994) 2.932 1.970 ( 2.609 4.763 2.470) 5.966 2.172 ( 0.275 5.326 -1.887) 5.656 2.554 ( 0.171 5.433 -3.397) 6.410 2.679 ( -0.483 9.071 0.461) 9.095 2.827 ( 4.284 6.008 -1.264) 7.487 2.891 ( 0.334 -2.601 0.043) 2.623 3.333 ( -0.858 -0.801 1.439) 1.857 3.810 ( 0.854 -3.522 1.337) 3.862 5.646 ( -1.378 1.251 -0.752) 2.007 5.972 ( 8.292 2.600 -4.690) 9.875 6.067 ( 7.994 -8.115 -1.835) 11.538 6.277 ( 14.641 0.122 -0.091) 14.642 6.477 ( 3.871 -4.576 2.207) 6.388 6.963 ( -13.506 21.836 -6.803) 26.561 7.057 ( 2.055 -2.137 -7.076) 7.672 7.399 ( 6.183 7.242 -9.506) 13.455 7.738 ( -2.135 -4.108 5.858) 7.467 8.041 ( 4.389 -8.247 2.839) 9.764 8.163 ( -1.494 8.825 -4.075) 9.834 8.977 ( -0.890 4.448 -0.650) 4.583 9.639 ( -4.445 14.445 5.090) 15.947 9.939 ( -5.540 8.420 -2.270) 10.331 10.574 ( -4.438 -26.071 8.835) 27.883 10.727 ( -2.823 -7.855 1.286) 8.445 11.689 ( -0.063 -5.120 -0.082) 5.121 12.014 ( -0.419 -2.369 3.396) 4.161 ======================= Grid point 121 (49/144) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 5.658 2.067 -2.423) 6.493 0.614 ( 7.899 6.915 0.251) 10.501 0.807 ( 1.718 2.967 0.406) 3.452 0.883 ( 0.243 -0.071 -1.804) 1.822 0.968 ( 2.799 0.326 -0.835) 2.939 1.024 ( 0.351 4.514 -0.018) 4.528 1.126 ( -0.448 6.717 -1.560) 6.910 1.234 ( -0.054 7.180 0.684) 7.212 1.311 ( -2.200 12.150 2.333) 12.566 1.442 ( -0.688 11.584 2.072) 11.788 1.510 ( -3.208 4.896 -0.286) 5.861 1.565 ( 0.402 6.344 1.465) 6.523 1.624 ( 1.904 5.860 -2.310) 6.580 1.673 ( 0.581 5.800 0.766) 5.879 1.855 ( 5.043 -0.430 1.441) 5.262 1.984 ( 2.170 2.588 -0.262) 3.387 2.040 ( 2.290 1.324 1.422) 3.003 2.164 ( -0.509 2.824 0.334) 2.889 2.532 ( -0.314 5.952 -3.069) 6.705 2.684 ( 0.457 8.326 0.847) 8.382 2.884 ( 2.117 5.764 -0.919) 6.209 2.898 ( 0.300 -1.586 0.364) 1.655 3.309 ( -2.041 -1.063 0.267) 2.317 3.836 ( 0.873 -3.332 1.099) 3.616 5.632 ( 1.549 6.724 -3.957) 7.954 6.095 ( 7.135 10.793 -3.002) 13.281 6.166 ( 5.393 4.994 -5.016) 8.898 6.429 ( -2.046 8.324 3.073) 9.106 6.649 ( 5.899 0.506 3.942) 7.113 6.681 ( -9.193 34.897 -2.147) 36.152 7.068 ( 3.865 4.814 -7.925) 10.046 7.597 ( 10.842 -11.605 2.921) 16.148 7.752 ( 7.973 0.397 -0.151) 7.984 8.092 ( 0.448 -5.796 6.601) 8.796 8.230 ( 10.281 -8.077 -4.936) 13.975 8.956 ( 0.103 1.740 -2.303) 2.888 9.537 ( -8.877 2.027 3.350) 9.702 9.762 ( -12.722 0.404 -0.069) 12.729 10.477 ( -7.432 -32.635 0.120) 33.471 10.675 ( -3.291 -6.504 1.748) 7.496 11.695 ( 1.178 -2.727 -1.155) 3.187 12.010 ( -2.164 -0.588 2.731) 3.534 ======================= Grid point 122 (50/144) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 3.551 1.779 -4.762) 6.201 0.759 ( 6.412 4.882 1.182) 8.145 0.833 ( 1.086 0.990 -0.518) 1.559 0.847 ( -3.131 -1.542 -0.296) 3.503 0.990 ( -1.825 4.746 3.117) 5.964 1.024 ( 0.165 3.729 0.360) 3.750 1.147 ( 3.728 6.066 -3.139) 7.781 1.243 ( 0.457 7.161 -0.080) 7.176 1.284 ( -1.315 12.244 2.257) 12.520 1.429 ( -3.999 3.946 2.107) 6.000 1.456 ( -0.342 10.733 -0.443) 10.747 1.575 ( -0.205 6.545 1.254) 6.667 1.644 ( 1.501 6.015 -1.915) 6.489 1.680 ( -0.407 7.933 0.328) 7.950 1.958 ( 3.983 0.236 0.856) 4.080 2.015 ( 1.118 0.471 0.295) 1.249 2.058 ( -0.594 1.231 -0.833) 1.600 2.161 ( -0.706 0.870 2.524) 2.761 2.508 ( 0.121 5.779 -2.928) 6.479 2.703 ( 0.606 8.425 1.270) 8.542 2.897 ( 0.000 1.485 0.061) 1.487 2.910 ( 0.729 2.873 0.116) 2.967 3.269 ( -1.617 0.076 -1.030) 1.918 3.854 ( 0.269 -3.395 1.140) 3.592 5.660 ( 4.153 6.627 -5.357) 9.480 6.182 ( 3.751 18.588 -2.156) 19.085 6.238 ( 5.615 13.169 -5.471) 15.326 6.296 ( -9.506 23.320 0.807) 25.196 6.507 ( -5.788 23.491 1.955) 24.272 6.771 ( 0.794 10.043 3.954) 10.822 7.139 ( 7.062 8.529 -0.836) 11.104 7.625 ( -2.607 -0.341 4.615) 5.311 8.053 ( 11.003 -15.857 -3.464) 19.609 8.187 ( 0.244 -20.391 9.140) 22.347 8.451 ( 16.438 13.283 -1.181) 21.167 8.984 ( 6.114 3.255 -4.199) 8.100 9.390 ( -8.972 -15.135 4.390) 18.134 9.457 ( -16.294 -15.666 -0.930) 22.622 10.334 ( -4.523 -34.995 -7.491) 36.073 10.640 ( -1.625 -4.504 2.750) 5.522 11.717 ( 2.000 -1.068 -2.085) 3.081 11.975 ( -2.872 -0.201 2.486) 3.804 ======================= Grid point 123 (51/144) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 1.446 1.856 -4.456) 5.039 0.742 ( -6.249 0.196 -0.911) 6.318 0.846 ( -1.641 3.615 1.388) 4.206 0.874 ( 4.630 1.308 0.871) 4.890 0.948 ( -2.200 5.009 0.216) 5.475 1.047 ( 1.059 4.117 1.919) 4.664 1.192 ( 1.555 6.177 -0.924) 6.436 1.253 ( 1.228 7.386 -1.399) 7.617 1.299 ( 0.667 11.551 2.059) 11.752 1.356 ( -3.544 3.513 1.713) 5.276 1.463 ( 1.007 10.144 -0.404) 10.202 1.572 ( -0.765 6.340 0.165) 6.388 1.639 ( -1.635 7.466 0.228) 7.646 1.672 ( 0.046 7.242 -0.808) 7.287 1.967 ( -3.096 0.063 0.699) 3.174 2.016 ( -2.722 2.535 -1.127) 3.886 2.048 ( 0.740 -0.799 1.434) 1.800 2.173 ( 0.480 1.671 1.658) 2.402 2.509 ( 1.939 6.147 -2.557) 6.934 2.716 ( -0.269 8.841 1.590) 8.986 2.894 ( -0.208 1.828 0.010) 1.840 2.924 ( 0.393 1.193 0.401) 1.319 3.243 ( -0.096 0.497 -1.721) 1.794 3.861 ( -0.459 -3.612 1.288) 3.862 5.664 ( -1.259 4.667 -5.098) 7.026 6.145 ( -4.358 20.163 -2.248) 20.751 6.239 ( 4.323 21.656 -2.497) 22.224 6.334 ( 4.069 14.427 -3.111) 15.309 6.466 ( 1.899 18.226 2.732) 18.527 6.787 ( -0.350 11.804 2.811) 12.139 7.300 ( 7.646 9.557 5.079) 13.251 7.637 ( 0.246 0.024 4.222) 4.229 7.947 ( -18.144 -19.814 -0.289) 26.868 8.190 ( -2.103 -9.267 -0.013) 9.502 8.709 ( 5.969 14.175 -1.049) 15.416 9.002 ( -18.448 -5.350 9.184) 21.291 9.184 ( 10.586 -5.633 -6.887) 13.828 9.490 ( 10.926 -25.326 3.705) 27.830 10.223 ( -0.261 -33.379 -11.978) 35.464 10.652 ( 0.711 -3.209 3.082) 4.506 11.732 ( 0.802 -1.663 -2.243) 2.905 11.951 ( -1.099 -0.897 2.370) 2.762 ======================= Grid point 124 (52/144) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -7.019 1.778 -0.811) 7.286 0.651 ( -0.761 3.038 -2.596) 4.068 0.760 ( -7.755 8.580 2.812) 11.902 0.934 ( 2.305 1.781 -3.770) 4.764 0.966 ( 3.445 1.949 -0.658) 4.012 1.067 ( -1.378 3.593 2.079) 4.374 1.192 ( -0.856 3.576 1.369) 3.924 1.225 ( -2.977 8.668 -0.161) 9.166 1.324 ( 2.182 11.191 0.298) 11.406 1.367 ( 0.907 7.659 2.351) 8.062 1.490 ( 2.329 5.636 -1.600) 6.305 1.548 ( -0.957 6.809 -0.448) 6.891 1.612 ( -1.535 9.366 1.978) 9.695 1.661 ( -0.667 5.015 -1.021) 5.161 1.889 ( -5.422 0.913 1.857) 5.804 1.942 ( -3.693 1.459 -1.746) 4.338 2.041 ( -2.378 1.895 1.697) 3.482 2.192 ( 0.563 4.643 0.266) 4.684 2.540 ( 2.600 7.151 -2.024) 7.874 2.719 ( -0.291 8.061 1.713) 8.246 2.883 ( -1.237 3.557 -0.764) 3.842 2.924 ( -0.806 -2.527 0.415) 2.684 3.245 ( 1.270 0.421 -1.135) 1.755 3.851 ( -1.564 -3.813 1.423) 4.360 5.588 ( -1.685 3.076 -4.560) 5.753 6.054 ( -4.184 9.924 -2.447) 11.045 6.195 ( -5.051 8.560 -4.215) 10.796 6.439 ( 4.989 11.356 0.971) 12.441 6.529 ( -2.075 2.728 0.027) 3.428 6.847 ( 7.149 21.150 3.053) 22.534 7.408 ( -17.925 -20.609 1.013) 27.332 7.499 ( 1.037 8.881 7.253) 11.514 7.766 ( 3.398 -1.751 -1.705) 4.185 8.154 ( -0.915 -1.334 2.619) 3.078 8.444 ( -15.733 -1.980 -25.841) 30.318 8.960 ( -2.611 -3.779 20.209) 20.725 9.385 ( 9.884 8.762 1.166) 13.260 9.768 ( 13.321 -7.163 4.487) 15.776 10.182 ( 3.920 -25.324 -10.267) 27.606 10.696 ( 1.745 -3.555 2.564) 4.718 11.721 ( -0.364 -4.203 -1.566) 4.500 11.959 ( -0.040 -2.112 2.377) 3.180 ======================= Grid point 125 (53/144) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -6.463 3.274 -0.826) 7.292 0.591 ( -6.463 8.812 1.801) 11.076 0.653 ( -1.356 5.753 -1.696) 6.149 0.909 ( -3.349 2.835 -4.046) 5.969 1.007 ( 0.290 1.587 -1.103) 1.954 1.015 ( -1.402 6.331 -2.082) 6.810 1.194 ( -0.603 3.241 2.998) 4.456 1.211 ( 0.794 10.036 2.060) 10.276 1.357 ( -0.840 8.231 -0.880) 8.320 1.374 ( 0.496 9.921 2.488) 10.241 1.511 ( 1.197 5.100 -0.706) 5.286 1.568 ( 1.710 5.068 0.616) 5.384 1.604 ( -0.493 9.823 0.771) 9.865 1.640 ( -0.201 3.710 -1.448) 3.987 1.807 ( -4.094 2.127 2.479) 5.237 1.874 ( -2.325 0.966 -0.162) 2.523 1.993 ( -3.474 4.750 1.973) 6.207 2.192 ( -0.057 7.051 -1.291) 7.169 2.570 ( 1.682 7.464 -2.131) 7.943 2.732 ( 0.598 6.364 1.073) 6.481 2.814 ( -5.364 5.260 -1.156) 7.602 2.903 ( -1.034 -4.005 -0.489) 4.165 3.276 ( 2.061 1.238 0.565) 2.470 3.822 ( -2.284 -3.906 1.579) 4.793 5.579 ( 3.568 -1.893 -2.261) 4.629 5.944 ( -5.237 1.734 -4.366) 7.035 6.072 ( -5.412 -3.210 -1.977) 6.595 6.284 ( -15.935 -1.075 0.360) 15.976 6.490 ( -2.327 -10.758 -0.388) 11.014 7.057 ( 5.446 7.280 5.904) 10.841 7.133 ( -1.146 -2.277 -2.839) 3.816 7.624 ( 2.698 -1.307 5.113) 5.927 7.849 ( 4.639 2.862 1.425) 5.634 7.951 ( -13.288 10.475 -36.866) 40.564 8.196 ( 2.462 5.783 1.639) 6.496 9.004 ( -2.404 0.326 8.109) 8.464 9.556 ( 4.316 13.596 8.763) 16.741 9.985 ( 6.659 2.785 -1.284) 7.332 10.269 ( 7.812 -12.399 6.134) 15.887 10.739 ( 1.024 -5.310 1.948) 5.748 11.706 ( -0.357 -6.359 -0.796) 6.418 11.972 ( -0.413 -3.719 3.226) 4.940 ======================= Grid point 126 (54/144) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -0.491 3.474 0.323) 3.523 0.701 ( -1.098 5.789 -1.822) 6.168 0.755 ( 0.204 10.020 -1.225) 10.096 0.985 ( 1.520 7.468 -2.224) 7.939 1.064 ( -1.089 5.121 -1.452) 5.433 1.134 ( -0.634 7.352 -3.586) 8.204 1.211 ( -0.546 0.598 0.815) 1.149 1.383 ( 2.036 3.646 3.619) 5.526 1.487 ( -1.808 -3.068 1.235) 3.769 1.604 ( -1.074 15.343 2.846) 15.641 1.642 ( 1.396 9.931 1.128) 10.092 1.703 ( 1.803 3.753 0.800) 4.240 1.779 ( -2.141 7.388 -0.928) 7.748 1.791 ( 0.510 8.162 -0.334) 8.184 1.854 ( -2.491 5.617 0.436) 6.160 1.889 ( 1.036 2.310 1.617) 3.004 2.090 ( -0.518 7.066 0.114) 7.086 2.253 ( 0.208 0.191 -1.989) 2.009 2.593 ( 0.706 -0.059 -3.628) 3.697 2.806 ( -0.385 -1.792 -1.067) 2.121 2.945 ( 0.589 6.765 1.023) 6.867 2.984 ( -0.388 12.591 -0.264) 12.599 3.434 ( 0.623 11.199 0.215) 11.219 3.760 ( -0.679 0.944 1.649) 2.017 5.520 ( 2.829 -6.779 2.418) 7.734 5.749 ( 0.088 -5.815 -6.350) 8.610 5.881 ( 1.919 2.300 -1.872) 3.532 6.029 ( 1.036 -7.626 -2.194) 8.002 6.405 ( 1.473 4.355 3.909) 6.035 6.863 ( 0.210 -9.906 7.218) 12.258 7.067 ( -3.065 -13.469 3.888) 14.350 7.434 ( -0.147 -6.634 -1.917) 6.907 7.962 ( -6.325 16.387 -21.036) 27.405 8.245 ( 0.318 19.476 -0.412) 19.483 8.599 ( 1.676 19.761 -0.054) 19.832 9.071 ( 1.309 1.724 -4.768) 5.236 9.815 ( -0.751 1.843 13.256) 13.405 10.189 ( 0.589 4.719 -2.112) 5.204 10.262 ( 1.583 -7.703 2.328) 8.201 10.594 ( -1.500 -8.107 -0.170) 8.247 11.602 ( -0.016 -1.481 0.287) 1.508 11.941 ( 0.621 -0.738 4.241) 4.349 ======================= Grid point 127 (55/144) ======================= q-point: ( 0.14 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 5.805 2.325 -0.854) 6.311 0.711 ( 2.856 9.946 -1.860) 10.513 0.811 ( 5.300 4.975 -0.320) 7.276 0.986 ( -0.101 5.551 -2.029) 5.911 1.000 ( -3.202 5.992 -1.294) 6.916 1.127 ( 0.904 7.007 -0.155) 7.067 1.219 ( 0.927 1.815 -1.621) 2.604 1.365 ( -3.557 3.050 1.599) 4.951 1.546 ( 4.831 -0.748 1.810) 5.213 1.607 ( -0.908 14.590 2.649) 14.856 1.667 ( -0.678 9.475 2.946) 9.946 1.714 ( -2.700 6.647 -0.883) 7.229 1.745 ( 0.943 5.706 1.418) 5.955 1.786 ( 0.811 4.797 -1.935) 5.236 1.829 ( -0.111 6.161 1.107) 6.260 1.938 ( 2.331 0.389 0.594) 2.436 2.089 ( 0.325 6.337 0.249) 6.351 2.239 ( -0.559 1.235 -1.286) 1.868 2.578 ( 0.346 -0.599 -3.927) 3.987 2.790 ( -0.482 -1.193 -1.001) 1.630 2.951 ( -0.040 9.265 0.678) 9.290 3.016 ( 2.750 7.839 -0.108) 8.309 3.426 ( -1.302 11.245 0.307) 11.324 3.771 ( 0.565 0.545 1.470) 1.667 5.620 ( 3.971 -7.120 1.092) 8.226 5.858 ( 14.295 -2.516 -4.315) 15.142 6.052 ( 16.038 2.121 -4.249) 16.726 6.099 ( 8.358 -10.914 -1.633) 13.843 6.572 ( 12.274 9.010 4.564) 15.895 6.921 ( 0.488 -8.260 7.315) 11.044 7.034 ( -1.051 -15.045 0.426) 15.088 7.442 ( 1.910 -0.877 -3.088) 3.736 7.735 ( -4.938 8.876 -10.842) 14.856 8.173 ( -6.748 16.338 0.447) 17.683 8.509 ( -8.689 18.703 -2.521) 20.777 9.030 ( -1.912 1.066 -5.238) 5.677 9.820 ( -7.187 2.920 9.277) 12.093 10.109 ( -7.412 6.027 -1.988) 9.758 10.201 ( -9.364 -9.433 3.441) 13.730 10.559 ( -1.865 -8.358 -0.162) 8.565 11.613 ( 0.948 -1.748 0.221) 2.001 11.979 ( 0.197 -1.094 3.569) 3.738 ======================= Grid point 128 (56/144) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 5.698 1.742 -2.564) 6.486 0.763 ( 2.518 7.153 0.419) 7.595 0.887 ( 1.653 4.508 -0.924) 4.890 0.952 ( -1.982 6.548 0.095) 6.842 0.987 ( 2.567 1.812 0.237) 3.151 1.148 ( 0.069 7.195 1.242) 7.301 1.213 ( 0.521 3.210 -2.008) 3.822 1.333 ( 0.045 2.297 -0.608) 2.377 1.588 ( -2.280 12.725 1.238) 12.987 1.597 ( -2.973 5.130 1.182) 6.046 1.656 ( 1.103 6.296 2.338) 6.806 1.695 ( 0.144 7.385 -0.807) 7.431 1.763 ( 1.054 6.100 1.454) 6.359 1.826 ( 2.217 7.149 -1.384) 7.612 1.866 ( 3.572 2.217 3.264) 5.322 1.973 ( 1.288 -0.674 -0.448) 1.521 2.095 ( -0.581 3.402 1.033) 3.603 2.217 ( -1.154 1.962 -0.220) 2.287 2.555 ( -0.093 -1.501 -3.976) 4.251 2.778 ( -0.261 -2.283 -0.400) 2.332 2.962 ( 0.853 10.805 0.252) 10.841 3.058 ( 1.593 4.806 -0.286) 5.071 3.402 ( -1.170 12.262 0.068) 12.318 3.790 ( 0.419 -0.312 1.210) 1.318 5.665 ( 2.760 -5.071 -4.726) 7.461 6.089 ( 10.616 -5.162 -4.972) 12.809 6.251 ( 10.586 1.280 -0.851) 10.697 6.440 ( 20.391 -3.733 -1.500) 20.784 6.777 ( 2.495 7.475 5.025) 9.346 6.941 ( -2.359 -18.359 2.035) 18.621 7.119 ( 11.694 -0.601 -4.077) 12.398 7.476 ( 4.737 6.172 1.028) 7.848 7.665 ( -0.823 -5.266 3.455) 6.352 8.020 ( -11.073 3.119 1.660) 11.623 8.396 ( 5.173 19.029 -4.494) 20.225 8.949 ( -2.123 0.082 -4.782) 5.233 9.634 ( -16.992 4.933 3.618) 18.060 9.864 ( -18.644 10.135 0.594) 21.229 10.030 ( -7.870 -10.562 1.134) 13.221 10.530 ( -1.427 -7.422 1.533) 7.712 11.641 ( 2.286 -2.378 -1.031) 3.456 11.981 ( -2.120 -2.370 2.195) 3.864 ======================= Grid point 129 (57/144) ======================= q-point: ( 0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 3.524 1.563 -3.975) 5.537 0.791 ( -0.617 1.825 1.886) 2.696 0.893 ( 0.684 3.973 -0.935) 4.138 0.928 ( -0.157 6.922 0.070) 6.924 1.056 ( 2.570 2.429 2.484) 4.322 1.120 ( -3.336 4.561 2.106) 6.030 1.255 ( 4.254 6.243 -1.820) 7.771 1.332 ( 0.085 1.934 -2.085) 2.845 1.531 ( -3.003 7.907 1.233) 8.547 1.566 ( -1.163 10.847 1.222) 10.978 1.672 ( -1.014 8.298 -0.329) 8.367 1.699 ( 0.619 5.094 0.673) 5.175 1.786 ( 0.318 6.943 0.592) 6.976 1.856 ( 0.809 8.261 0.774) 8.337 1.969 ( 3.549 -0.685 2.227) 4.246 1.983 ( 0.928 1.341 0.178) 1.640 2.074 ( -2.289 0.104 1.425) 2.698 2.198 ( -0.740 1.977 0.301) 2.132 2.530 ( 0.521 -1.632 -3.914) 4.272 2.777 ( 0.188 -3.908 0.287) 3.923 2.979 ( 0.613 12.140 -0.140) 12.157 3.073 ( 0.472 3.732 -0.476) 3.792 3.383 ( -0.728 13.245 -0.394) 13.270 3.801 ( -0.046 -0.916 1.056) 1.398 5.671 ( 2.155 -4.438 -8.544) 9.866 6.223 ( 7.284 -6.799 -4.499) 10.933 6.405 ( 5.008 4.068 -0.614) 6.481 6.624 ( -0.958 3.428 2.062) 4.114 6.817 ( -0.905 8.724 2.290) 9.065 6.904 ( -0.756 -18.268 -0.166) 18.284 7.311 ( 10.010 6.429 -0.659) 11.914 7.601 ( 4.389 5.430 3.325) 7.733 7.743 ( 4.183 -19.038 5.144) 20.159 7.808 ( -10.107 -11.298 3.233) 15.500 8.695 ( 25.196 13.441 -3.410) 28.760 8.943 ( 4.944 0.344 -5.300) 7.257 9.267 ( -20.803 8.831 1.271) 22.636 9.453 ( -22.331 12.250 1.051) 25.492 9.926 ( -3.248 -7.549 -1.710) 8.394 10.533 ( -0.079 -5.806 3.968) 7.032 11.679 ( 2.411 -2.660 -2.312) 4.270 11.937 ( -3.175 -3.591 1.315) 4.970 ======================= Grid point 130 (58/144) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -0.240 0.488 -4.573) 4.605 0.781 ( -1.167 4.734 2.614) 5.533 0.911 ( 1.828 3.505 -1.169) 4.122 0.953 ( 2.441 5.239 0.736) 5.826 1.052 ( -5.068 3.946 2.728) 6.978 1.115 ( 1.927 3.431 1.353) 4.162 1.272 ( -2.672 3.523 -0.525) 4.452 1.346 ( 3.703 4.097 -2.688) 6.142 1.507 ( -0.529 8.155 1.639) 8.335 1.567 ( 0.502 10.467 0.259) 10.482 1.640 ( -1.922 6.748 0.285) 7.022 1.705 ( -0.335 6.342 0.003) 6.351 1.784 ( -1.075 6.931 1.636) 7.203 1.847 ( -1.875 8.331 -0.382) 8.547 1.968 ( -1.532 1.538 1.747) 2.786 2.025 ( -2.782 -0.780 1.350) 3.189 2.065 ( 2.446 2.357 1.286) 3.632 2.201 ( 0.945 0.961 0.298) 1.380 2.533 ( 2.459 -1.791 -3.676) 4.771 2.788 ( 0.674 -4.670 0.587) 4.755 2.976 ( -0.797 11.624 -0.167) 11.652 3.073 ( -0.120 4.618 -0.587) 4.656 3.370 ( -0.153 13.872 -0.670) 13.889 3.802 ( -0.576 -1.175 1.110) 1.716 5.622 ( -1.257 -6.695 -8.742) 11.083 6.273 ( -0.345 -8.533 -4.171) 9.504 6.405 ( -5.406 5.525 -0.699) 7.761 6.598 ( -1.752 6.806 1.908) 7.283 6.758 ( -4.957 7.065 1.556) 8.770 6.917 ( 2.102 -14.072 0.747) 14.247 7.375 ( -10.097 -2.881 -2.816) 10.871 7.604 ( -4.900 -5.617 4.336) 8.623 7.730 ( 8.630 2.137 1.906) 9.092 7.930 ( 5.392 -16.782 10.426) 20.479 8.789 ( -13.043 0.836 -11.537) 17.433 8.906 ( -12.108 2.277 4.967) 13.283 9.241 ( 21.061 12.500 0.971) 24.510 9.352 ( 15.323 15.253 -2.666) 21.785 9.892 ( 1.803 -3.994 -2.679) 5.136 10.570 ( 0.664 -4.785 4.839) 6.838 11.685 ( -0.262 -2.865 -2.631) 3.899 11.901 ( -0.943 -3.885 0.912) 4.101 ======================= Grid point 131 (59/144) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -4.172 1.266 -2.464) 5.008 0.782 ( -0.386 8.083 0.994) 8.153 0.926 ( -2.596 6.840 0.789) 7.358 0.967 ( -2.102 1.989 -1.036) 3.074 1.025 ( 4.309 3.807 0.326) 5.760 1.134 ( -1.750 4.006 0.824) 4.449 1.231 ( 0.358 2.539 0.077) 2.565 1.364 ( -1.142 4.043 -1.158) 4.358 1.534 ( 2.247 8.283 0.465) 8.594 1.564 ( -0.727 3.108 -0.410) 3.218 1.623 ( -0.782 13.128 2.934) 13.474 1.692 ( -0.484 5.531 -0.618) 5.587 1.768 ( -1.810 6.375 0.292) 6.633 1.804 ( -1.613 7.681 1.287) 7.953 1.943 ( -2.689 5.072 2.503) 6.263 1.968 ( -3.118 1.420 -0.328) 3.442 2.102 ( 0.544 3.979 0.879) 4.111 2.230 ( 1.732 -0.404 -0.197) 1.790 2.567 ( 3.090 -1.990 -3.360) 4.980 2.806 ( 0.687 -4.310 0.276) 4.373 2.953 ( -1.418 9.852 0.168) 9.955 3.058 ( -1.233 6.992 -0.534) 7.120 3.374 ( 1.036 13.692 -0.456) 13.738 3.794 ( -1.203 -0.849 1.314) 1.973 5.539 ( -1.494 -7.170 -6.410) 9.733 6.140 ( -9.832 -3.169 -4.489) 11.263 6.256 ( -8.607 0.146 -0.843) 8.650 6.424 ( -16.044 -3.552 -1.849) 16.536 6.708 ( -6.627 5.984 2.495) 9.271 6.958 ( -13.161 -12.355 5.854) 18.977 7.023 ( -2.435 -12.087 -3.802) 12.903 7.572 ( -4.755 -1.405 2.905) 5.747 7.939 ( 10.687 14.313 2.413) 18.025 8.115 ( 8.514 -6.030 7.971) 13.130 8.509 ( -4.848 12.311 -16.821) 21.401 8.874 ( 4.459 -0.680 5.410) 7.044 9.540 ( 9.208 3.274 4.595) 10.799 9.735 ( 21.875 8.359 -2.631) 23.565 9.983 ( 8.994 1.688 -1.829) 9.332 10.607 ( 0.082 -5.260 3.415) 6.272 11.647 ( -1.695 -2.728 -1.777) 3.671 11.904 ( 0.042 -3.220 1.216) 3.442 ======================= Grid point 132 (60/144) ======================= q-point: (-0.14 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -5.173 2.788 -0.497) 5.897 0.761 ( -2.506 5.809 -0.523) 6.348 0.817 ( -5.982 9.869 -0.099) 11.541 0.970 ( 1.478 4.271 -2.493) 5.162 1.072 ( 0.289 5.058 -1.337) 5.240 1.127 ( 2.507 5.086 -0.570) 5.699 1.255 ( -1.495 3.343 0.639) 3.717 1.320 ( 0.063 1.112 0.613) 1.272 1.528 ( -2.532 1.189 2.179) 3.545 1.599 ( 2.725 8.097 0.299) 8.549 1.618 ( -2.005 14.860 2.889) 15.270 1.684 ( 0.222 3.862 -1.266) 4.070 1.752 ( 1.204 6.657 0.372) 6.775 1.809 ( 0.289 9.181 0.999) 9.240 1.889 ( -3.656 3.975 1.325) 5.561 1.917 ( -2.474 4.996 0.235) 5.580 2.102 ( -0.786 6.000 0.555) 6.076 2.253 ( 1.096 -0.705 -1.376) 1.895 2.593 ( 1.791 -1.246 -3.354) 4.001 2.814 ( 0.185 -3.135 -0.458) 3.174 2.935 ( -0.462 8.062 0.565) 8.095 3.019 ( -2.360 10.620 -0.279) 10.882 3.403 ( 2.031 12.353 -0.055) 12.519 3.775 ( -1.671 0.177 1.534) 2.275 5.499 ( 0.029 -6.096 -1.873) 6.377 5.897 ( -10.728 -2.527 -4.410) 11.871 6.048 ( -14.579 0.359 -3.240) 14.939 6.107 ( -9.501 -12.113 -1.748) 15.493 6.468 ( -10.588 6.030 1.721) 12.306 6.839 ( -2.254 -13.006 5.287) 14.219 7.075 ( -0.257 -9.867 5.043) 11.084 7.483 ( -4.065 -6.654 -0.513) 7.814 8.133 ( 5.237 21.977 1.497) 22.642 8.206 ( 0.593 6.544 -15.014) 16.389 8.470 ( 9.938 17.140 -4.296) 20.273 9.019 ( 6.182 1.646 0.042) 6.397 9.703 ( 3.361 1.895 11.769) 12.386 10.075 ( 13.940 0.501 -1.279) 14.007 10.147 ( 7.803 2.235 -0.550) 8.136 10.614 ( -0.874 -6.804 1.222) 6.968 11.612 ( -0.944 -2.041 -0.767) 2.375 11.914 ( -0.227 -1.855 2.986) 3.523 ======================= Grid point 133 (61/144) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.627 5.401 0.786) 5.493 0.812 ( 0.354 5.709 -0.939) 5.796 0.988 ( -0.586 11.046 -1.902) 11.224 1.088 ( 1.851 3.529 -4.308) 5.868 1.188 ( -1.967 5.096 0.535) 5.488 1.226 ( -1.600 1.860 0.419) 2.490 1.295 ( 1.798 5.641 0.745) 5.967 1.411 ( 3.372 0.582 0.631) 3.480 1.473 ( -3.121 2.413 2.443) 4.640 1.745 ( 0.781 1.414 2.340) 2.843 1.794 ( 2.144 4.667 0.070) 5.136 1.865 ( 0.780 2.171 0.354) 2.334 1.885 ( -1.562 8.322 0.111) 8.468 1.906 ( -3.188 5.743 1.164) 6.671 1.972 ( -3.756 5.472 -1.759) 6.866 2.009 ( 1.437 7.213 -0.424) 7.367 2.223 ( 0.666 3.973 -0.842) 4.115 2.229 ( 0.984 -0.554 -0.384) 1.193 2.604 ( 0.397 1.192 -1.749) 2.153 2.767 ( 0.030 -1.894 -0.146) 1.900 3.012 ( 0.708 1.280 -0.445) 1.529 3.189 ( -0.919 5.767 0.289) 5.847 3.730 ( 0.437 15.725 -0.078) 15.731 3.865 ( -0.337 9.205 0.642) 9.234 5.485 ( 0.312 4.394 1.936) 4.812 5.687 ( 3.780 1.046 -5.903) 7.087 5.906 ( 0.020 1.808 0.878) 2.010 6.044 ( 1.231 8.009 -1.637) 8.266 6.478 ( 0.151 1.583 5.488) 5.714 6.773 ( 5.520 3.404 4.908) 8.134 6.920 ( -7.207 0.474 3.485) 8.019 7.355 ( 1.020 -2.044 -0.540) 2.348 8.181 ( -6.356 4.592 -13.935) 15.989 8.615 ( -1.327 14.875 -0.246) 14.936 8.929 ( 3.842 11.428 0.293) 12.060 9.036 ( 0.794 -5.939 -7.688) 9.747 9.790 ( 0.001 -3.100 8.980) 9.501 10.107 ( 0.206 -5.116 -0.487) 5.144 10.217 ( 0.570 -2.785 1.083) 3.042 10.430 ( -1.893 -7.654 -0.637) 7.911 11.637 ( 0.108 4.002 -0.550) 4.042 11.944 ( 0.807 0.424 3.983) 4.085 ======================= Grid point 134 (62/144) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 3.963 4.788 0.008) 6.215 0.861 ( 4.486 5.433 -0.309) 7.052 0.979 ( 0.682 9.792 -2.063) 10.030 1.062 ( -1.065 3.818 -2.674) 4.782 1.142 ( -3.340 5.069 1.279) 6.204 1.238 ( 1.894 2.154 0.170) 2.873 1.323 ( 1.352 8.682 -1.121) 8.858 1.396 ( -3.079 1.583 0.030) 3.462 1.541 ( 6.045 0.124 2.836) 6.678 1.773 ( -0.290 1.976 4.391) 4.824 1.816 ( -2.723 3.986 -0.514) 4.855 1.849 ( 1.351 5.426 0.553) 5.619 1.869 ( -2.553 3.496 -1.987) 4.763 1.872 ( -0.616 2.406 -0.707) 2.583 1.904 ( -0.628 6.925 1.603) 7.136 2.031 ( 1.195 7.305 -0.784) 7.444 2.215 ( -0.758 5.043 -0.857) 5.171 2.251 ( 1.068 0.356 -0.051) 1.127 2.579 ( -1.551 1.065 -2.033) 2.770 2.752 ( -1.348 -1.929 -0.254) 2.367 3.030 ( 1.434 0.744 -0.320) 1.647 3.177 ( -0.410 5.548 0.078) 5.563 3.731 ( -0.278 15.932 0.051) 15.935 3.863 ( -0.292 8.485 0.558) 8.508 5.480 ( -0.212 -2.902 0.321) 2.928 5.766 ( 7.524 -5.283 -4.126) 10.078 6.061 ( 11.138 4.626 -0.841) 12.090 6.154 ( 12.072 7.794 -0.676) 14.385 6.574 ( -0.547 -7.496 4.029) 8.527 6.836 ( 4.853 3.102 -0.843) 5.821 6.887 ( -0.022 1.685 8.426) 8.593 7.433 ( 6.810 0.065 0.602) 6.837 7.912 ( -11.856 6.290 -9.540) 16.466 8.409 ( -18.874 3.341 0.404) 19.172 8.852 ( -3.702 13.488 -5.550) 15.048 9.061 ( 1.533 3.494 -3.216) 4.990 9.794 ( -4.840 -2.849 6.067) 8.267 10.068 ( -4.277 -3.504 1.357) 5.693 10.234 ( -1.122 3.588 0.278) 3.769 10.393 ( -1.383 -7.611 -0.649) 7.763 11.621 ( -1.220 2.159 -0.387) 2.510 11.959 ( -1.934 -1.178 3.277) 3.983 ======================= Grid point 135 (63/144) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 4.363 3.488 -1.109) 5.696 0.924 ( 0.310 7.415 -0.138) 7.423 0.982 ( 1.577 4.800 -1.275) 5.211 1.041 ( -0.766 4.550 0.208) 4.619 1.095 ( -1.647 4.884 1.793) 5.457 1.254 ( -0.881 4.149 -0.302) 4.253 1.345 ( 1.949 6.857 -2.848) 7.676 1.367 ( 1.112 3.837 0.332) 4.009 1.668 ( 4.487 0.282 1.521) 4.747 1.733 ( -3.150 3.136 -0.152) 4.447 1.776 ( -3.197 4.924 -1.136) 5.980 1.821 ( -0.543 2.677 2.366) 3.614 1.867 ( 0.010 5.100 0.907) 5.180 1.889 ( 1.605 0.283 2.639) 3.102 1.940 ( 2.474 4.348 1.278) 5.163 2.048 ( 0.970 7.123 0.234) 7.192 2.179 ( -2.480 4.062 -1.091) 4.882 2.262 ( -0.013 2.548 -0.136) 2.552 2.531 ( -1.527 -0.070 -2.704) 3.106 2.718 ( -1.818 -2.760 -0.405) 3.329 3.062 ( 2.130 0.227 -0.410) 2.181 3.173 ( -0.057 5.331 0.068) 5.332 3.724 ( -0.405 16.207 0.040) 16.212 3.860 ( -0.373 7.398 0.481) 7.423 5.499 ( 3.189 -7.682 -3.521) 9.032 5.906 ( 8.741 -11.486 -1.731) 14.537 6.227 ( 8.155 -5.377 -0.361) 9.775 6.396 ( -3.864 -10.569 -7.142) 13.328 6.456 ( 6.569 -5.489 2.912) 9.042 6.862 ( -5.191 1.101 6.441) 8.345 7.123 ( 16.464 -0.446 0.077) 16.470 7.508 ( -5.764 -7.393 2.037) 9.593 7.729 ( 0.800 9.825 -0.008) 9.858 8.018 ( -19.520 0.360 1.498) 19.581 8.834 ( 6.020 15.633 -8.034) 18.579 9.070 ( 4.377 14.332 -0.577) 14.996 9.681 ( -10.042 0.891 1.967) 10.271 9.968 ( -6.807 1.866 2.168) 7.384 10.131 ( -10.379 12.984 -0.103) 16.623 10.378 ( -0.226 -7.110 1.527) 7.275 11.601 ( 0.008 -1.432 -1.016) 1.756 11.913 ( -4.344 -4.091 1.587) 6.174 ======================= Grid point 136 (64/144) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 2.106 2.604 -2.216) 4.016 0.900 ( -1.037 7.854 0.775) 7.960 0.990 ( -0.075 5.422 -0.339) 5.433 1.037 ( -0.280 3.397 0.818) 3.505 1.106 ( 0.269 1.789 2.895) 3.414 1.228 ( -1.066 7.515 0.399) 7.601 1.359 ( 1.833 1.826 -4.457) 5.153 1.415 ( 2.648 7.641 0.722) 8.118 1.655 ( -2.555 4.442 -0.615) 5.161 1.700 ( -1.616 0.050 -3.263) 3.642 1.764 ( 0.950 3.379 2.288) 4.190 1.811 ( -1.110 4.901 0.034) 5.025 1.890 ( 0.356 2.981 4.827) 5.685 1.947 ( 1.182 -0.444 4.596) 4.766 1.995 ( 2.688 4.382 0.748) 5.194 2.073 ( 0.204 5.674 0.949) 5.756 2.113 ( -2.364 4.051 -1.351) 4.881 2.250 ( -0.778 3.451 -0.488) 3.571 2.497 ( 0.195 -0.991 -3.439) 3.584 2.688 ( -0.732 -3.845 -0.473) 3.943 3.090 ( 0.682 -0.228 -1.029) 1.256 3.180 ( 0.680 5.512 0.564) 5.582 3.716 ( -0.412 16.421 -0.151) 16.427 3.856 ( -0.271 6.682 0.419) 6.701 5.525 ( 2.044 -8.109 -8.508) 11.931 6.060 ( 6.989 -8.826 -0.907) 11.294 6.207 ( -3.294 -32.760 2.416) 33.014 6.402 ( 7.175 -5.788 0.099) 9.219 6.556 ( -1.722 -10.241 2.166) 10.608 6.821 ( -3.230 -3.336 0.288) 4.652 7.274 ( -3.018 -18.419 2.587) 18.843 7.434 ( 3.706 -5.291 3.529) 7.361 7.649 ( -7.008 4.281 -4.878) 9.552 7.903 ( 0.158 14.745 2.732) 14.997 8.939 ( 11.505 10.638 -6.793) 17.079 9.251 ( 4.301 21.373 0.745) 21.814 9.503 ( -0.283 12.639 -0.597) 12.656 9.820 ( -16.229 17.686 1.094) 24.029 9.905 ( -5.255 5.992 0.553) 7.989 10.405 ( 0.778 -6.549 4.555) 8.015 11.610 ( 1.515 -3.911 -1.898) 4.604 11.834 ( -3.899 -6.071 0.420) 7.227 ======================= Grid point 137 (65/144) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.743 2.540 -2.211) 3.448 0.921 ( 1.846 7.624 1.170) 7.931 0.997 ( 0.823 4.777 -0.352) 4.860 1.036 ( 0.166 2.584 0.985) 2.771 1.114 ( -1.699 2.789 3.125) 4.520 1.231 ( 1.151 8.349 0.074) 8.429 1.340 ( -0.982 3.096 -3.311) 4.638 1.460 ( 1.169 6.004 0.199) 6.120 1.623 ( -0.334 2.854 -0.779) 2.978 1.641 ( -2.077 -0.137 -2.839) 3.520 1.782 ( -1.446 4.218 -0.460) 4.483 1.809 ( 1.816 4.884 3.687) 6.383 1.917 ( -0.848 5.108 3.725) 6.379 1.982 ( -0.678 3.010 3.857) 4.940 1.996 ( -4.179 -0.173 0.452) 4.207 2.059 ( 1.587 6.195 1.106) 6.490 2.135 ( 2.429 3.946 -0.171) 4.637 2.235 ( -0.148 2.811 -1.245) 3.077 2.497 ( 2.167 -1.128 -3.327) 4.128 2.690 ( 1.150 -4.231 -0.465) 4.409 3.072 ( -1.434 0.570 -1.131) 1.913 3.201 ( 0.791 4.921 0.733) 5.037 3.708 ( -0.146 16.466 -0.329) 16.470 3.856 ( -0.038 6.888 0.444) 6.902 5.454 ( -2.007 -7.933 -8.331) 11.678 6.092 ( -2.139 -7.466 -1.569) 7.924 6.308 ( 1.983 -24.357 4.378) 24.826 6.434 ( 1.446 -14.613 2.341) 14.870 6.566 ( -2.422 -9.814 -0.915) 10.150 6.688 ( -4.687 -6.432 0.234) 7.961 7.335 ( 7.760 -15.298 3.648) 17.537 7.399 ( -12.545 -5.335 -1.220) 13.687 7.665 ( 12.438 6.356 -3.403) 14.377 7.904 ( 1.238 7.125 5.115) 8.858 8.975 ( -7.345 13.003 -8.073) 16.976 9.212 ( -2.373 19.538 1.927) 19.776 9.518 ( -5.084 14.107 -0.556) 15.005 9.737 ( 11.199 16.039 -0.434) 19.567 9.940 ( 8.511 9.445 1.101) 12.762 10.453 ( 0.395 -6.655 5.527) 8.660 11.616 ( 0.365 -3.761 -2.089) 4.318 11.799 ( 0.325 -5.810 -0.113) 5.820 ======================= Grid point 138 (66/144) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -3.184 3.337 -1.071) 4.735 0.930 ( -2.359 4.813 0.194) 5.364 1.009 ( 1.884 3.080 -1.764) 4.019 1.071 ( 0.055 7.283 1.373) 7.411 1.104 ( 1.068 3.417 2.574) 4.409 1.248 ( -0.015 7.241 -0.958) 7.304 1.313 ( 0.929 4.891 -1.375) 5.164 1.435 ( -3.591 3.269 -0.968) 4.952 1.584 ( -2.901 -0.095 0.816) 3.015 1.644 ( 2.565 2.243 -1.296) 3.646 1.764 ( 0.180 4.017 -0.028) 4.021 1.870 ( 0.886 7.347 2.262) 7.738 1.898 ( -2.102 4.706 0.450) 5.173 1.932 ( -1.487 5.378 3.501) 6.587 1.996 ( -1.233 1.935 3.176) 3.918 2.077 ( -0.514 6.464 0.486) 6.502 2.175 ( 2.035 2.441 -0.865) 3.294 2.226 ( 0.268 1.187 -1.801) 2.174 2.534 ( 3.507 -0.490 -2.384) 4.269 2.720 ( 2.058 -3.557 -0.375) 4.127 3.035 ( -1.536 1.259 -0.813) 2.146 3.212 ( -0.199 4.813 0.654) 4.861 3.708 ( 0.376 16.274 -0.360) 16.283 3.861 ( 0.124 7.840 0.585) 7.863 5.395 ( 0.759 -4.370 -4.629) 6.411 5.963 ( -9.973 -10.474 -2.542) 14.684 6.198 ( -7.532 -7.758 -0.588) 10.829 6.333 ( -12.344 -2.160 -3.450) 12.998 6.601 ( 6.558 -11.312 -0.428) 13.083 6.785 ( 3.679 -4.497 9.163) 10.850 6.997 ( -20.518 7.079 -3.560) 21.995 7.492 ( -0.218 -6.132 0.269) 6.142 7.917 ( 15.796 -5.380 0.388) 16.691 8.153 ( 18.385 1.932 10.194) 21.111 8.802 ( -1.373 12.560 -15.029) 19.635 9.070 ( -6.406 18.105 3.356) 19.496 9.599 ( 5.684 3.449 0.987) 6.721 9.905 ( 8.538 5.491 0.442) 10.161 10.143 ( 8.626 11.231 -0.007) 14.162 10.479 ( -1.012 -7.171 3.789) 8.173 11.612 ( 0.797 -0.774 -1.523) 1.886 11.831 ( 2.509 -3.702 0.400) 4.490 ======================= Grid point 139 (67/144) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -4.001 4.525 0.326) 6.049 0.858 ( -3.978 4.438 -0.522) 5.982 1.022 ( -0.955 8.321 -1.697) 8.545 1.060 ( 1.870 5.300 -1.835) 5.912 1.177 ( 3.228 2.725 0.881) 4.316 1.235 ( -0.498 6.435 1.315) 6.587 1.321 ( -2.885 -0.223 -1.320) 3.181 1.363 ( 0.538 6.868 -0.915) 6.950 1.529 ( -4.008 -0.163 2.689) 4.829 1.697 ( 2.970 2.151 0.519) 3.704 1.779 ( 0.924 4.704 -1.114) 4.921 1.845 ( -0.484 2.723 0.690) 2.851 1.900 ( -1.039 10.695 2.253) 10.979 1.958 ( -0.532 4.484 2.431) 5.128 1.975 ( -0.780 5.665 0.879) 5.786 2.047 ( -2.353 5.817 -1.109) 6.372 2.201 ( 1.549 -0.032 -0.934) 1.809 2.225 ( 0.550 2.133 -1.221) 2.519 2.584 ( 2.752 0.597 -1.765) 3.323 2.753 ( 1.452 -2.544 -0.204) 2.936 3.011 ( -0.357 1.586 -0.629) 1.743 3.204 ( -0.878 5.221 0.531) 5.321 3.718 ( 0.801 16.008 -0.264) 16.030 3.866 ( -0.117 8.836 0.688) 8.864 5.426 ( 3.774 1.273 -0.393) 4.002 5.749 ( -6.952 -7.730 -5.328) 11.682 6.055 ( -9.860 4.559 -1.748) 11.003 6.109 ( -7.867 4.742 -0.538) 9.202 6.566 ( -13.294 3.415 4.510) 14.448 6.676 ( 2.571 -0.504 -0.600) 2.687 6.963 ( 0.193 -0.110 6.491) 6.495 7.400 ( -5.167 -2.048 -0.836) 5.621 8.211 ( 11.680 -4.916 -4.062) 13.307 8.519 ( 9.723 12.746 5.300) 16.885 8.769 ( 10.258 9.011 -12.891) 18.777 9.059 ( 1.513 3.674 -0.921) 4.079 9.701 ( 3.149 -0.615 6.437) 7.193 10.048 ( 5.619 -1.244 0.325) 5.764 10.222 ( 0.378 2.228 -0.155) 2.265 10.466 ( -1.865 -7.441 1.139) 7.756 11.626 ( 1.384 2.821 -1.221) 3.371 11.889 ( 2.389 -0.835 2.626) 3.646 ======================= Grid point 140 (68/144) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.337 5.875 0.739) 5.931 0.914 ( 0.444 3.643 -0.676) 3.732 1.149 ( 2.312 2.793 -2.964) 4.683 1.176 ( -1.412 4.877 -1.118) 5.199 1.245 ( -1.490 0.268 0.169) 1.524 1.272 ( -1.476 4.971 0.419) 5.203 1.332 ( 2.304 -0.129 3.960) 4.584 1.492 ( 0.015 5.841 -0.617) 5.874 1.559 ( 0.559 4.884 -0.730) 4.970 1.757 ( -0.043 -0.420 2.406) 2.443 1.840 ( 0.407 0.478 1.051) 1.225 1.876 ( 1.360 -0.611 -2.417) 2.840 1.956 ( -3.861 1.333 0.222) 4.091 2.032 ( -2.553 4.040 -1.136) 4.912 2.059 ( -0.713 1.580 1.417) 2.238 2.140 ( 1.796 5.137 -0.282) 5.449 2.232 ( 1.310 3.688 -1.279) 4.117 2.291 ( 0.440 1.568 -0.238) 1.646 2.627 ( 0.146 0.426 0.002) 0.450 2.725 ( 0.201 -2.350 -0.226) 2.369 3.043 ( 0.454 2.264 -1.234) 2.618 3.234 ( -0.891 -0.315 1.569) 1.832 4.035 ( 0.448 13.347 -0.208) 13.356 4.090 ( -0.235 11.219 -0.319) 11.226 5.686 ( -1.694 13.554 -2.525) 13.891 5.839 ( 2.622 14.319 -0.938) 14.588 6.000 ( 0.810 6.601 0.926) 6.715 6.302 ( 1.956 16.304 0.749) 16.438 6.533 ( -2.673 5.086 2.557) 6.289 6.905 ( 1.780 5.709 4.479) 7.471 7.046 ( -1.998 9.508 -0.152) 9.717 7.330 ( 1.308 -0.122 1.674) 2.127 8.159 ( -1.339 -6.011 -5.261) 8.099 8.727 ( -12.284 -12.217 -7.817) 19.007 8.905 ( 11.066 2.142 0.127) 11.272 9.065 ( 2.012 2.298 -1.325) 3.330 9.754 ( 1.789 0.557 2.264) 2.939 10.032 ( -4.660 -2.660 -0.681) 5.409 10.146 ( 3.102 -3.168 3.903) 5.906 10.282 ( -1.907 -6.638 0.490) 6.924 11.728 ( 0.013 4.190 -1.464) 4.439 11.941 ( 0.602 -0.982 2.924) 3.143 ======================= Grid point 141 (69/144) ======================= q-point: ( 0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.766 5.609 0.579) 6.281 0.952 ( 3.522 3.138 -0.165) 4.721 1.110 ( -2.052 3.187 -1.903) 4.241 1.185 ( -2.446 2.160 0.430) 3.292 1.200 ( 0.461 5.254 -0.910) 5.352 1.275 ( 1.402 3.043 0.017) 3.351 1.431 ( 4.267 0.334 2.479) 4.946 1.487 ( 0.036 6.835 -1.055) 6.916 1.572 ( 1.595 3.582 -0.675) 3.979 1.783 ( 0.846 -1.206 3.675) 3.960 1.824 ( -1.471 -2.911 -0.454) 3.293 1.866 ( -2.800 0.710 -1.763) 3.384 1.925 ( 0.947 3.576 0.924) 3.813 1.967 ( -2.392 4.310 -0.928) 5.016 2.039 ( -1.969 3.237 0.898) 3.894 2.170 ( 1.209 5.517 -0.494) 5.669 2.260 ( 1.517 1.272 -1.495) 2.481 2.290 ( 0.216 2.610 0.112) 2.622 2.608 ( -2.027 0.951 -0.141) 2.244 2.710 ( -1.499 -2.265 -0.294) 2.732 3.053 ( 1.371 1.999 -1.135) 2.677 3.226 ( -0.908 0.144 1.518) 1.775 4.029 ( -0.860 12.592 -0.125) 12.622 4.078 ( -0.736 10.937 -0.415) 10.969 5.544 ( -8.782 8.855 0.103) 12.472 5.757 ( -2.321 4.423 -3.309) 5.992 6.143 ( 1.073 4.541 -0.125) 4.668 6.386 ( 4.650 13.011 2.858) 14.110 6.548 ( -1.386 4.433 -1.442) 4.863 6.883 ( -1.103 2.336 4.369) 5.075 6.973 ( -4.672 2.454 1.260) 5.426 7.422 ( 2.723 -2.198 2.096) 4.079 7.997 ( -8.208 3.054 -4.719) 9.948 8.342 ( -19.427 -6.833 -1.639) 20.659 9.004 ( 2.892 2.754 -6.930) 7.998 9.197 ( 9.532 6.663 0.525) 11.642 9.767 ( -1.684 0.712 1.007) 2.087 10.002 ( 0.482 -2.494 3.121) 4.024 10.253 ( -1.146 -5.654 0.388) 5.782 10.268 ( 5.905 -0.473 0.958) 6.001 11.680 ( -3.952 3.070 -1.106) 5.125 11.922 ( -4.312 -2.480 2.309) 5.484 ======================= Grid point 142 (70/144) ======================= q-point: ( 0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.893 4.962 0.254) 5.749 1.016 ( 1.993 2.106 0.218) 2.908 1.076 ( 0.243 3.910 -1.314) 4.132 1.127 ( -3.269 0.664 1.058) 3.500 1.209 ( 0.134 9.217 -0.199) 9.220 1.312 ( 2.518 1.176 -1.276) 3.058 1.461 ( -0.724 7.012 -0.318) 7.057 1.510 ( 1.951 5.686 -0.145) 6.013 1.626 ( 3.680 -2.444 -0.137) 4.420 1.771 ( -2.102 -1.566 -2.318) 3.499 1.808 ( -1.654 0.154 1.607) 2.311 1.860 ( 2.489 -0.707 4.066) 4.820 1.889 ( -2.564 4.984 -0.316) 5.614 1.977 ( -0.431 3.409 0.600) 3.488 2.014 ( -0.121 2.105 1.938) 2.864 2.182 ( 0.322 5.013 -0.050) 5.023 2.239 ( -1.544 1.992 -1.952) 3.188 2.318 ( 1.744 3.053 -0.608) 3.568 2.553 ( -3.186 1.538 -0.729) 3.613 2.670 ( -2.244 -2.093 -0.584) 3.123 3.077 ( 1.764 1.607 -0.938) 2.564 3.220 ( -0.780 0.170 1.568) 1.760 4.011 ( -0.627 11.148 -0.301) 11.170 4.058 ( -1.143 10.358 -0.318) 10.426 5.423 ( -3.704 0.680 -0.347) 3.782 5.749 ( 3.777 -2.361 -3.514) 5.673 5.982 ( -16.065 -8.864 1.852) 18.442 6.347 ( -10.884 0.171 -3.475) 11.426 6.468 ( -0.257 0.555 1.661) 1.770 6.878 ( -4.626 1.246 4.319) 6.451 6.997 ( 0.781 -11.236 0.825) 11.293 7.331 ( -9.615 -8.971 2.327) 13.355 7.895 ( -1.436 8.056 -6.143) 10.232 8.135 ( -1.435 8.433 3.697) 9.319 9.019 ( 5.907 6.930 -7.566) 11.839 9.430 ( 14.681 14.765 0.967) 20.844 9.724 ( -2.940 4.128 -0.003) 5.068 10.014 ( -1.773 1.739 2.616) 3.607 10.246 ( -0.455 -5.381 2.411) 5.914 10.334 ( -0.600 6.054 -0.180) 6.087 11.585 ( -4.444 -0.096 -0.953) 4.546 11.819 ( -7.102 -4.903 0.937) 8.681 ======================= Grid point 143 (71/144) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.003 4.452 -0.292) 4.573 1.019 ( -0.207 2.633 -0.700) 2.732 1.082 ( -2.013 1.068 0.555) 2.345 1.100 ( 1.269 3.483 0.233) 3.714 1.210 ( 0.024 10.670 2.012) 10.858 1.349 ( 2.547 1.783 -1.991) 3.692 1.445 ( -0.678 6.989 -0.408) 7.033 1.538 ( 0.846 4.268 0.374) 4.367 1.649 ( -0.018 -2.659 -3.468) 4.370 1.732 ( -1.341 2.027 -2.264) 3.322 1.805 ( 0.546 0.664 2.341) 2.494 1.863 ( -0.616 0.958 1.212) 1.663 1.935 ( 0.754 -0.425 3.489) 3.595 1.950 ( -0.998 2.872 3.951) 4.985 2.045 ( 0.881 0.778 1.057) 1.581 2.172 ( -1.186 3.336 -0.352) 3.558 2.213 ( 0.491 5.124 -1.152) 5.274 2.330 ( 0.110 3.863 -1.084) 4.014 2.498 ( -1.276 0.976 -1.753) 2.378 2.630 ( -1.071 -1.993 -0.931) 2.447 3.098 ( 0.790 1.274 -0.891) 1.744 3.220 ( -0.276 -0.283 1.723) 1.768 4.006 ( 0.204 11.089 -0.384) 11.097 4.034 ( -0.812 9.081 -0.335) 9.123 5.393 ( 0.187 -4.620 -2.869) 5.441 5.655 ( -8.772 -17.500 3.099) 19.819 5.920 ( 9.656 -6.842 -1.281) 11.904 6.220 ( -0.883 -8.642 2.328) 8.994 6.346 ( -13.456 -10.298 2.282) 17.097 6.774 ( -8.037 -3.105 -4.970) 9.947 6.931 ( -0.978 -10.768 1.080) 10.866 7.293 ( 0.284 -6.142 8.095) 10.165 7.855 ( 2.300 10.976 -7.239) 13.348 8.131 ( -3.167 7.250 -1.857) 8.126 9.191 ( 14.662 13.536 -3.704) 20.296 9.548 ( -7.223 8.625 1.057) 11.300 9.792 ( 9.747 11.946 -0.841) 15.441 10.012 ( 4.063 9.591 1.583) 10.536 10.209 ( -11.443 12.817 0.739) 17.198 10.272 ( 0.012 -4.988 3.518) 6.104 11.527 ( -0.715 -3.804 -1.043) 4.009 11.699 ( -4.736 -6.812 -0.029) 8.297 ======================= Grid point 144 (72/144) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.052 4.434 -0.386) 4.574 1.016 ( -0.148 1.602 -0.354) 1.647 1.059 ( -0.318 2.206 -0.228) 2.240 1.114 ( 0.227 2.927 0.650) 3.007 1.243 ( 1.101 10.365 2.664) 10.759 1.379 ( 1.985 2.706 -2.289) 4.062 1.426 ( -1.268 5.586 -0.272) 5.735 1.538 ( -1.031 2.835 0.450) 3.050 1.628 ( -0.399 -0.401 -1.427) 1.535 1.679 ( -1.050 3.330 -4.144) 5.419 1.841 ( -0.974 0.454 0.197) 1.093 1.860 ( 1.770 0.775 3.497) 3.995 1.940 ( -1.535 -1.506 3.819) 4.383 1.984 ( 0.228 1.232 2.570) 2.859 2.055 ( -0.392 1.699 2.288) 2.877 2.172 ( 1.430 4.226 -0.077) 4.462 2.222 ( 0.898 4.618 -1.204) 4.856 2.311 ( -1.074 4.050 -1.732) 4.533 2.494 ( 2.150 0.750 -1.808) 2.908 2.626 ( 1.425 -2.028 -1.028) 2.683 3.093 ( -0.612 1.709 -0.859) 2.009 3.230 ( 0.012 -0.805 1.811) 1.982 3.997 ( -0.500 11.030 -0.616) 11.059 4.041 ( 1.388 9.316 -0.166) 9.420 5.346 ( -0.182 -2.554 -2.451) 3.545 5.776 ( 13.928 -20.995 4.314) 25.561 6.037 ( -2.561 0.596 3.276) 4.200 6.110 ( -2.675 -14.742 -2.246) 15.150 6.368 ( 8.966 -11.151 2.169) 14.472 6.574 ( -3.681 -4.738 -5.416) 8.083 7.053 ( 9.733 -8.234 4.394) 13.485 7.325 ( -2.877 -2.621 4.021) 5.596 7.880 ( 5.130 10.126 -7.836) 13.794 8.035 ( -2.802 5.226 -1.683) 6.164 9.252 ( -10.649 13.399 -3.113) 17.397 9.505 ( 5.933 9.507 0.773) 11.233 9.802 ( -8.499 9.956 -0.729) 13.111 9.980 ( -6.264 12.687 0.864) 14.176 10.218 ( 10.477 11.288 1.242) 15.451 10.305 ( 0.284 -6.149 3.958) 7.318 11.538 ( 2.447 -3.575 -0.911) 4.427 11.673 ( 2.355 -6.157 -0.500) 6.611 ======================= Grid point 145 (73/144) ======================= q-point: (-0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -2.764 4.804 0.146) 5.544 0.992 ( -2.214 1.957 -0.182) 2.960 1.070 ( 1.803 2.629 -1.290) 3.439 1.134 ( 1.585 0.986 1.292) 2.270 1.257 ( -0.813 8.546 0.586) 8.605 1.380 ( -1.383 1.852 -0.986) 2.512 1.393 ( -1.951 3.768 -0.523) 4.276 1.517 ( -1.195 5.500 0.243) 5.633 1.593 ( -1.760 2.395 -1.293) 3.241 1.679 ( 2.418 1.421 -0.895) 2.944 1.820 ( -0.279 0.427 -0.389) 0.641 1.906 ( -2.726 -0.682 1.446) 3.160 1.941 ( 3.383 -0.415 3.530) 4.907 2.011 ( 0.385 0.838 2.896) 3.040 2.060 ( -0.746 3.758 2.033) 4.337 2.190 ( -0.402 4.550 -0.700) 4.621 2.234 ( 1.625 3.162 -1.626) 3.910 2.274 ( -1.125 3.557 -2.075) 4.269 2.546 ( 3.699 1.044 -0.827) 3.932 2.663 ( 2.695 -2.140 -0.766) 3.526 3.071 ( -0.947 2.394 -0.902) 2.728 3.239 ( -0.407 -0.933 1.802) 2.070 3.996 ( 0.907 11.463 -0.691) 11.519 4.068 ( 1.362 10.432 -0.034) 10.521 5.403 ( 6.672 4.697 -0.187) 8.162 5.791 ( -6.689 -3.917 -2.683) 8.203 6.141 ( 5.090 0.242 4.508) 6.804 6.256 ( 9.196 -3.727 -7.797) 12.619 6.416 ( 11.938 -5.534 3.180) 13.537 6.732 ( 9.399 -3.106 4.840) 11.019 7.082 ( -12.248 -0.239 -1.650) 12.361 7.355 ( 5.740 -5.310 2.712) 8.277 7.904 ( 4.176 3.739 -5.485) 7.842 8.154 ( 14.817 -0.725 4.523) 15.509 9.025 ( -7.025 9.905 -8.171) 14.637 9.431 ( -13.911 13.737 1.583) 19.615 9.688 ( 1.060 5.570 -0.252) 5.676 9.985 ( 1.363 3.155 1.793) 3.877 10.317 ( -1.116 -8.108 3.446) 8.880 10.330 ( 0.016 5.489 0.005) 5.489 11.610 ( 5.314 0.448 -0.897) 5.407 11.757 ( 5.827 -3.430 0.026) 6.762 ======================= Grid point 146 (74/144) ======================= q-point: (-0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -3.086 5.419 0.650) 6.270 0.941 ( -2.432 3.140 -0.486) 4.001 1.105 ( 3.001 2.451 -2.065) 4.391 1.188 ( 2.404 0.207 1.387) 2.783 1.234 ( -0.635 7.115 -1.205) 7.244 1.324 ( -3.145 1.632 -1.367) 3.798 1.342 ( -3.716 1.985 2.841) 5.081 1.500 ( -0.542 6.328 -0.391) 6.364 1.563 ( -0.564 3.858 -0.980) 4.021 1.730 ( 1.944 1.022 1.621) 2.729 1.822 ( 0.867 -0.239 -1.251) 1.541 1.877 ( -0.752 0.598 0.626) 1.146 2.012 ( -1.365 0.528 1.142) 1.856 2.027 ( 1.620 -1.957 4.260) 4.960 2.055 ( -0.033 5.135 -0.254) 5.141 2.151 ( -1.887 5.268 -2.051) 5.959 2.233 ( -0.162 4.775 -1.791) 5.102 2.274 ( 1.415 1.455 -0.547) 2.102 2.603 ( 2.356 0.614 -0.200) 2.443 2.706 ( 1.939 -2.284 -0.410) 3.024 3.050 ( -0.413 2.548 -1.092) 2.802 3.239 ( -0.743 -0.732 1.705) 1.999 4.017 ( 1.473 12.775 -0.485) 12.869 4.088 ( 0.661 11.069 -0.087) 11.089 5.579 ( 10.708 12.888 1.855) 16.858 5.717 ( 2.369 5.141 -4.670) 7.339 6.160 ( -4.873 5.503 -1.746) 7.555 6.297 ( 0.223 13.498 0.482) 13.508 6.623 ( -5.370 3.254 2.332) 6.699 6.799 ( 2.615 8.142 1.789) 8.737 6.990 ( 6.137 0.851 2.811) 6.803 7.370 ( -3.970 -1.716 0.261) 4.333 8.057 ( 12.227 -8.190 -2.790) 14.979 8.546 ( 20.455 -9.117 3.855) 22.724 8.893 ( -0.553 6.284 -11.516) 13.130 9.196 ( -11.495 6.582 0.769) 13.268 9.716 ( 1.159 2.444 0.759) 2.810 10.019 ( 1.398 -1.276 3.195) 3.714 10.234 ( -8.040 -0.914 -0.240) 8.095 10.312 ( -1.924 -7.452 1.933) 7.935 11.697 ( 4.042 3.498 -1.571) 5.572 11.870 ( 4.765 -1.204 1.974) 5.296 ======================= Grid point 147 (75/144) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.213 5.550 0.421) 5.570 0.945 ( 0.211 -0.821 -0.359) 0.920 1.191 ( 1.325 1.099 -0.615) 1.829 1.209 ( -0.078 0.142 -0.139) 0.214 1.235 ( -1.437 0.539 -0.536) 1.626 1.309 ( 0.928 -1.749 2.841) 3.463 1.443 ( -0.691 8.998 -0.024) 9.024 1.610 ( -0.181 4.972 -1.323) 5.148 1.641 ( 1.350 2.837 -1.721) 3.582 1.727 ( -0.315 -2.407 1.363) 2.784 1.804 ( -2.724 -3.070 -1.205) 4.278 1.858 ( 2.469 -2.193 -0.103) 3.304 1.974 ( -1.578 0.909 2.089) 2.771 2.019 ( 0.142 -1.748 3.530) 3.941 2.128 ( -1.249 3.737 -2.570) 4.704 2.222 ( 0.313 1.467 -0.437) 1.563 2.307 ( 0.471 2.712 -1.514) 3.142 2.336 ( 1.023 3.417 -0.787) 3.653 2.616 ( -0.075 -0.999 0.543) 1.139 2.666 ( 0.334 -3.243 -0.534) 3.304 3.105 ( 0.088 3.390 -0.406) 3.415 3.210 ( -0.567 -1.642 1.878) 2.558 4.258 ( 0.360 7.939 -0.426) 7.958 4.282 ( -0.105 6.706 -0.596) 6.733 5.971 ( -0.980 12.680 -4.294) 13.423 6.125 ( -8.415 5.660 -0.909) 10.182 6.254 ( 6.753 22.532 1.834) 23.593 6.618 ( 1.966 11.395 0.305) 11.567 6.698 ( -2.502 9.847 1.279) 10.240 6.929 ( -1.217 -3.408 0.278) 3.630 7.206 ( 1.293 4.703 0.405) 4.895 7.349 ( 0.729 0.714 3.280) 3.435 8.005 ( 2.790 -5.937 0.533) 6.582 8.351 ( -3.016 -19.405 -4.295) 20.103 8.974 ( 4.099 2.498 -2.056) 5.223 9.062 ( -0.652 -1.710 -3.254) 3.734 9.806 ( 1.236 4.009 -0.252) 4.202 9.982 ( -4.191 -2.745 -1.071) 5.123 10.100 ( 2.428 -1.205 4.761) 5.478 10.164 ( -1.160 -4.532 2.847) 5.476 11.800 ( -0.081 2.939 -1.388) 3.251 11.906 ( 0.230 -2.253 1.315) 2.619 ======================= Grid point 148 (76/144) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.407 5.409 0.492) 5.941 0.974 ( 2.739 -1.173 -0.173) 2.984 1.159 ( -1.842 1.609 -0.485) 2.493 1.180 ( -2.704 -0.294 0.448) 2.757 1.266 ( 3.204 1.922 -0.711) 3.803 1.374 ( 2.309 -1.077 1.761) 3.097 1.441 ( 1.249 6.741 0.305) 6.862 1.609 ( 0.901 4.055 -1.466) 4.405 1.659 ( 1.608 3.832 -2.269) 4.735 1.731 ( -1.088 -2.712 -0.297) 2.937 1.761 ( -0.261 -3.216 2.255) 3.936 1.859 ( -1.722 -1.519 -0.632) 2.382 1.986 ( 1.042 1.890 2.827) 3.557 2.024 ( -1.722 -0.561 2.990) 3.496 2.075 ( -1.937 3.733 -3.044) 5.192 2.227 ( -0.236 -0.934 -0.129) 0.972 2.308 ( 1.102 4.069 -2.244) 4.776 2.357 ( 1.560 3.234 -0.588) 3.639 2.604 ( -1.510 -0.864 0.556) 1.827 2.656 ( -1.023 -3.011 -0.573) 3.231 3.110 ( 0.719 3.251 -0.347) 3.347 3.211 ( -0.627 -1.371 1.834) 2.374 4.238 ( -2.050 7.529 -0.397) 7.813 4.265 ( -1.205 6.460 -0.622) 6.601 5.796 ( -14.914 13.463 -0.089) 20.092 5.899 ( -7.857 7.590 -2.132) 11.130 6.277 ( -9.117 8.303 -0.199) 12.333 6.562 ( -10.361 3.316 1.947) 11.051 6.711 ( -1.372 7.132 -0.415) 7.275 6.913 ( -21.801 -3.202 1.139) 22.064 6.951 ( 1.884 1.416 -0.473) 2.404 7.312 ( -8.317 -8.148 1.498) 11.739 8.076 ( 3.800 4.813 -0.263) 6.138 8.231 ( -2.945 -3.202 -2.128) 4.843 9.043 ( 5.705 2.222 -4.995) 7.902 9.232 ( 16.607 -3.227 -0.360) 16.922 9.827 ( 1.328 4.839 -0.339) 5.029 9.977 ( 2.055 -0.479 2.043) 2.937 10.160 ( -0.267 -2.852 2.918) 4.089 10.228 ( 7.496 -3.188 1.462) 8.276 11.739 ( -5.359 2.724 -1.105) 6.112 11.861 ( -5.579 -3.243 0.963) 6.524 ======================= Grid point 149 (77/144) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.250 5.112 0.675) 5.626 1.020 ( 1.365 -1.657 0.288) 2.166 1.137 ( -1.225 1.305 -0.312) 1.816 1.139 ( -0.145 1.658 -0.391) 1.710 1.319 ( 2.822 1.331 -0.924) 3.254 1.394 ( 0.309 4.773 0.508) 4.810 1.496 ( 2.196 -0.016 1.143) 2.475 1.619 ( 0.874 3.069 -1.227) 3.418 1.665 ( 0.729 6.027 -2.079) 6.417 1.707 ( -0.098 -2.950 0.078) 2.952 1.802 ( 0.118 -2.307 3.595) 4.274 1.830 ( 0.942 -1.263 -0.677) 1.715 1.983 ( -2.243 2.095 -1.446) 3.393 2.013 ( -1.915 -0.599 1.830) 2.716 2.049 ( 0.562 4.026 2.105) 4.578 2.209 ( -1.043 -1.634 -0.340) 1.968 2.315 ( 1.084 5.039 -2.249) 5.624 2.384 ( 1.641 2.840 -0.835) 3.385 2.569 ( -2.504 -0.052 0.351) 2.529 2.623 ( -1.827 -2.624 -0.756) 3.286 3.125 ( 0.928 2.726 -0.258) 2.891 3.208 ( -0.849 -1.061 1.778) 2.238 4.190 ( -2.276 6.508 -0.518) 6.914 4.229 ( -2.047 5.531 -0.465) 5.916 5.520 ( -14.311 8.101 2.045) 16.571 5.781 ( -3.479 3.038 -2.529) 5.266 5.902 ( -27.039 0.016 1.032) 27.059 6.272 ( -18.432 -8.043 0.127) 20.111 6.471 ( -12.427 0.643 3.261) 12.864 6.715 ( -9.498 -11.965 3.690) 15.716 6.967 ( 0.386 4.918 -4.389) 6.603 7.167 ( -4.528 -6.426 0.637) 7.887 8.075 ( 0.285 8.702 -5.135) 10.108 8.256 ( 1.066 2.235 0.530) 2.532 9.194 ( 13.875 10.362 -3.854) 17.741 9.559 ( 15.068 -1.844 0.094) 15.181 9.857 ( 1.956 7.016 0.773) 7.325 10.032 ( 2.584 -0.561 1.633) 3.107 10.189 ( 1.337 1.326 2.947) 3.497 10.377 ( 6.288 -1.571 -0.006) 6.481 11.598 ( -8.125 1.365 -0.681) 8.267 11.720 ( -9.050 -4.445 0.360) 10.089 ======================= Grid point 150 (78/144) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.431 4.753 0.695) 4.823 1.026 ( -0.489 -1.246 0.497) 1.428 1.115 ( -0.555 2.141 -0.549) 2.279 1.154 ( 1.035 1.610 -0.855) 2.096 1.358 ( 1.793 0.150 -0.876) 2.001 1.413 ( 1.316 4.508 0.511) 4.724 1.504 ( -1.518 2.172 0.826) 2.775 1.622 ( 0.124 1.084 -0.095) 1.095 1.669 ( 0.943 5.745 -2.332) 6.272 1.728 ( 1.395 -0.302 0.470) 1.503 1.800 ( -0.909 -1.331 2.243) 2.762 1.875 ( 2.022 -1.359 -1.261) 2.744 1.928 ( -2.026 0.712 -0.457) 2.196 1.988 ( -1.561 -0.275 1.572) 2.232 2.074 ( 0.044 3.367 3.028) 4.528 2.199 ( 0.215 -0.722 0.181) 0.774 2.321 ( 0.982 5.481 -1.815) 5.857 2.400 ( 0.560 2.717 -1.324) 3.074 2.523 ( -1.869 1.032 -0.200) 2.144 2.589 ( -0.810 -2.348 -0.859) 2.628 3.137 ( 0.381 2.236 -0.177) 2.275 3.204 ( -0.725 -0.978 1.760) 2.140 4.163 ( 0.132 4.866 -0.607) 4.905 4.186 ( -1.989 4.723 -0.508) 5.150 5.320 ( -5.723 -1.902 1.462) 6.206 5.427 ( -15.956 -6.739 1.179) 17.361 5.827 ( 6.117 -1.805 -0.179) 6.381 6.040 ( -7.356 -10.619 4.428) 13.656 6.235 ( -12.272 2.376 2.287) 12.708 6.585 ( -5.645 -11.205 -2.340) 12.763 6.930 ( 0.804 5.634 -3.185) 6.521 7.183 ( 2.292 -5.123 7.454) 9.331 8.052 ( 1.090 7.955 -6.812) 10.530 8.210 ( -3.302 0.832 -5.004) 6.052 9.466 ( 13.943 12.375 -1.473) 18.701 9.677 ( -2.327 3.866 0.200) 4.517 9.925 ( 2.403 2.812 0.671) 3.759 10.093 ( 1.082 -5.303 3.119) 6.247 10.282 ( 8.039 9.450 0.664) 12.424 10.415 ( -3.125 5.119 -0.178) 6.000 11.468 ( -3.796 -1.515 -0.260) 4.096 11.567 ( -5.687 -5.742 -0.040) 8.082 ======================= Grid point 151 (79/144) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -1.078 4.905 0.628) 5.062 1.021 ( -0.351 -0.792 0.380) 0.946 1.108 ( 0.286 2.410 -0.682) 2.521 1.154 ( -0.380 1.101 -0.762) 1.392 1.371 ( 0.108 0.109 -0.806) 0.821 1.420 ( -1.598 -1.617 0.275) 2.290 1.492 ( -0.131 7.946 1.273) 8.048 1.627 ( 0.760 0.478 0.115) 0.905 1.670 ( 0.496 5.964 -1.459) 6.160 1.728 ( -1.167 2.247 -1.598) 2.994 1.798 ( -1.092 -3.147 1.790) 3.782 1.879 ( 0.384 1.458 -0.149) 1.515 1.913 ( -0.555 -2.312 0.472) 2.424 1.977 ( -0.435 -1.863 1.091) 2.202 2.102 ( 0.891 3.544 3.045) 4.757 2.215 ( 1.008 -0.154 0.566) 1.166 2.325 ( 0.448 5.175 -1.874) 5.522 2.386 ( -0.845 2.992 -1.684) 3.536 2.517 ( 1.484 1.100 -0.278) 1.868 2.588 ( 1.252 -2.205 -0.935) 2.702 3.136 ( -0.319 2.245 -0.138) 2.272 3.205 ( -0.398 -1.293 1.749) 2.211 4.159 ( 0.065 5.117 -0.685) 5.163 4.188 ( 2.471 4.400 -0.465) 5.068 5.321 ( 5.425 -0.504 1.502) 5.652 5.456 ( 17.478 -10.197 1.861) 20.321 5.890 ( -2.210 -4.659 1.905) 5.497 6.112 ( 7.734 -10.218 5.466) 13.932 6.147 ( 7.097 5.551 0.225) 9.012 6.467 ( -1.837 -6.512 -5.074) 8.457 7.013 ( 6.341 3.963 3.331) 8.186 7.269 ( 0.857 -3.763 4.923) 6.255 8.037 ( 3.091 5.415 -7.889) 10.055 8.112 ( -2.247 2.027 -6.473) 7.146 9.508 ( -11.870 10.927 -0.983) 16.164 9.654 ( 2.850 5.100 0.012) 5.843 9.911 ( -4.180 2.489 0.415) 4.883 10.114 ( -0.860 -7.760 3.546) 8.575 10.258 ( -10.001 11.211 0.062) 15.023 10.418 ( 2.521 4.649 -0.117) 5.290 11.481 ( 5.092 -1.646 0.017) 5.351 11.556 ( 4.714 -4.966 -0.271) 6.853 ======================= Grid point 152 (80/144) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -2.492 5.382 0.637) 5.964 1.010 ( -1.383 -0.529 0.050) 1.482 1.116 ( 1.035 1.858 -0.711) 2.243 1.147 ( 0.609 0.268 -0.186) 0.691 1.348 ( -1.709 0.140 -1.770) 2.465 1.378 ( -3.018 -1.860 1.695) 3.929 1.482 ( -1.627 7.600 0.723) 7.806 1.641 ( -0.019 2.939 -1.381) 3.247 1.680 ( -0.601 6.694 -1.012) 6.797 1.697 ( 1.657 0.403 0.036) 1.706 1.777 ( -1.298 -3.650 0.360) 3.891 1.890 ( -1.546 -1.296 1.971) 2.821 1.915 ( 2.001 -1.226 0.313) 2.368 1.985 ( 0.201 -2.752 1.378) 3.084 2.135 ( 0.743 3.700 1.622) 4.107 2.237 ( 0.727 -0.176 0.444) 0.870 2.312 ( -0.136 4.559 -2.413) 5.160 2.356 ( -1.002 3.439 -1.589) 3.919 2.559 ( 2.474 0.193 0.190) 2.489 2.618 ( 2.264 -2.487 -0.891) 3.480 3.125 ( -0.652 2.645 -0.233) 2.734 3.208 ( -0.543 -1.675 1.786) 2.508 4.184 ( 2.667 6.909 -0.646) 7.434 4.236 ( 2.543 5.251 -0.326) 5.844 5.547 ( 15.172 8.587 2.488) 17.610 5.855 ( 4.447 9.519 -0.263) 10.510 5.995 ( 26.952 -11.203 1.423) 29.223 6.286 ( 14.445 -0.113 -0.234) 14.447 6.379 ( 9.509 1.620 1.530) 9.766 6.597 ( 16.261 -9.194 2.911) 18.906 7.074 ( -3.556 2.555 -1.845) 4.752 7.283 ( -0.782 -3.137 3.035) 4.434 8.013 ( -0.772 5.379 -8.005) 9.675 8.135 ( 7.907 -1.177 -1.067) 8.065 9.232 ( -13.314 10.420 -3.224) 17.211 9.559 ( -14.205 -1.050 0.140) 14.245 9.826 ( -2.196 6.790 0.828) 7.184 10.065 ( -5.134 2.544 1.484) 5.919 10.164 ( -1.351 -3.448 2.739) 4.606 10.368 ( -7.021 -1.859 -0.190) 7.265 11.625 ( 8.642 0.948 -0.332) 8.700 11.694 ( 8.496 -2.626 0.014) 8.892 ======================= Grid point 153 (81/144) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -2.703 5.544 0.544) 6.192 0.970 ( -2.230 -0.633 -0.268) 2.334 1.145 ( 2.542 1.461 -0.741) 3.024 1.180 ( 2.459 -0.486 0.346) 2.531 1.290 ( -2.935 0.340 -1.615) 3.367 1.330 ( -3.463 -1.559 2.471) 4.531 1.458 ( -1.054 8.663 0.368) 8.735 1.626 ( -0.204 4.186 -1.545) 4.467 1.645 ( -1.038 4.409 -1.446) 4.755 1.730 ( -0.426 -1.103 1.026) 1.566 1.795 ( 3.289 -2.299 0.345) 4.028 1.858 ( -1.991 -2.541 -1.068) 3.400 1.968 ( 1.446 -2.065 3.645) 4.432 1.994 ( -0.242 -1.640 1.376) 2.154 2.147 ( 0.157 3.951 -0.654) 4.008 2.236 ( -0.928 1.376 -0.453) 1.720 2.303 ( 0.800 2.966 -1.740) 3.531 2.334 ( -0.224 3.690 -1.127) 3.865 2.600 ( 1.448 -0.669 0.449) 1.657 2.651 ( 1.598 -2.996 -0.690) 3.464 3.112 ( -0.490 3.107 -0.357) 3.166 3.209 ( -0.606 -1.786 1.853) 2.644 4.233 ( 2.475 7.902 -0.556) 8.299 4.273 ( 1.424 6.228 -0.399) 6.401 5.878 ( 16.549 13.687 2.323) 21.601 5.939 ( 7.015 14.618 -1.977) 16.334 6.278 ( 3.471 6.027 -0.685) 6.989 6.578 ( 8.207 8.169 2.073) 11.764 6.690 ( 8.517 4.032 -1.002) 9.476 6.895 ( 15.608 0.290 1.968) 15.734 6.968 ( 0.947 -1.325 0.226) 1.644 7.292 ( 2.183 -6.456 0.678) 6.849 7.969 ( 0.737 1.226 -2.665) 3.024 8.305 ( 8.281 -12.041 -0.751) 14.633 9.021 ( -5.435 6.086 -5.621) 9.908 9.245 ( -15.677 -2.027 -0.108) 15.807 9.808 ( -0.988 6.359 -0.180) 6.438 10.013 ( -1.009 0.445 2.773) 2.984 10.163 ( -1.775 -6.539 2.974) 7.399 10.190 ( -9.834 -3.255 0.302) 10.364 11.758 ( 5.318 2.416 -1.212) 5.966 11.839 ( 5.742 -1.730 0.992) 6.079 ======================= Grid point 154 (82/144) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.103 -4.232 0.041) 4.234 0.888 ( -0.103 4.232 0.041) 4.234 1.204 ( 0.196 -0.487 -0.011) 0.525 1.204 ( 0.196 0.487 -0.011) 0.525 1.268 ( 0.262 -2.064 0.817) 2.235 1.268 ( 0.262 2.064 0.817) 2.235 1.608 ( -0.159 -6.305 -0.855) 6.365 1.608 ( -0.159 6.305 -0.855) 6.365 1.686 ( -1.048 -2.290 -0.822) 2.649 1.686 ( -1.048 2.290 -0.822) 2.649 1.789 ( 0.724 -2.883 -0.124) 2.976 1.789 ( 0.724 2.883 -0.124) 2.976 1.996 ( 0.085 -0.993 3.199) 3.351 1.996 ( 0.085 0.993 3.199) 3.351 2.196 ( -0.998 -2.795 -1.487) 3.319 2.196 ( -0.998 2.795 -1.487) 3.319 2.364 ( 1.041 -1.295 -1.381) 2.160 2.364 ( 1.041 1.295 -1.381) 2.160 2.612 ( 0.080 -1.253 0.033) 1.256 2.612 ( 0.080 1.253 0.033) 1.256 3.168 ( -0.241 -2.538 1.017) 2.745 3.168 ( -0.241 2.538 1.017) 2.745 4.347 ( 0.136 -0.545 -0.589) 0.814 4.347 ( 0.136 0.545 -0.589) 0.814 6.151 ( -3.342 -3.822 -2.555) 5.684 6.151 ( -3.342 3.822 -2.555) 5.684 6.679 ( 0.538 -14.546 1.119) 14.598 6.679 ( 0.538 14.546 1.119) 14.598 6.804 ( -0.628 -7.793 -1.224) 7.914 6.804 ( -0.628 7.793 -1.224) 7.914 7.299 ( 0.973 -5.367 2.538) 6.016 7.299 ( 0.973 5.367 2.538) 6.016 8.034 ( 2.257 -9.487 -0.042) 9.752 8.034 ( 2.257 9.487 -0.042) 9.752 9.019 ( 0.306 -2.170 -3.562) 4.183 9.019 ( 0.306 2.170 -3.562) 4.183 9.902 ( -0.619 -4.806 -1.008) 4.950 9.902 ( -0.619 4.806 -1.008) 4.950 10.103 ( -0.040 -1.509 4.525) 4.771 10.103 ( -0.040 1.509 4.525) 4.771 11.855 ( -0.036 -2.550 -0.320) 2.570 11.855 ( -0.036 2.550 -0.320) 2.570 ======================= Grid point 156 (83/144) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.390 -4.279 0.107) 4.902 0.914 ( 2.390 4.279 0.107) 4.902 1.177 ( -1.788 -0.309 0.052) 1.815 1.177 ( -1.788 0.309 0.052) 1.815 1.316 ( 2.898 -2.969 0.723) 4.211 1.316 ( 2.898 2.969 0.723) 4.211 1.597 ( -0.236 -6.617 -1.211) 6.731 1.597 ( -0.236 6.617 -1.211) 6.731 1.680 ( 0.939 -2.672 -0.026) 2.832 1.680 ( 0.939 2.672 -0.026) 2.832 1.795 ( -0.025 -4.413 -0.340) 4.426 1.795 ( -0.025 4.413 -0.340) 4.426 2.007 ( -0.946 -0.588 3.019) 3.218 2.007 ( -0.946 0.588 3.019) 3.218 2.166 ( -1.075 -4.204 -1.403) 4.560 2.166 ( -1.075 4.204 -1.403) 4.560 2.380 ( 1.545 -1.563 -1.498) 2.660 2.380 ( 1.545 1.563 -1.498) 2.660 2.603 ( -1.089 -1.383 0.052) 1.761 2.603 ( -1.089 1.383 0.052) 1.761 3.172 ( -0.078 -2.486 1.020) 2.688 3.172 ( -0.078 2.486 1.020) 2.688 4.325 ( -1.956 -0.707 -0.584) 2.160 4.325 ( -1.956 0.708 -0.584) 2.160 5.978 ( -11.557 -2.083 -1.021) 11.788 5.978 ( -11.557 2.083 -1.021) 11.788 6.484 ( -18.049 -10.520 0.873) 20.909 6.484 ( -18.049 10.520 0.873) 20.909 6.787 ( -11.386 -3.981 0.057) 12.063 6.787 ( -11.386 3.981 0.057) 12.063 7.121 ( -7.693 -9.991 -0.631) 12.626 7.121 ( -7.693 9.991 -0.631) 12.626 8.171 ( 6.958 -3.743 -0.116) 7.902 8.171 ( 6.958 3.743 -0.116) 7.902 9.124 ( 12.792 -5.575 -2.565) 14.188 9.124 ( 12.792 5.575 -2.565) 14.188 9.932 ( 2.882 -4.338 0.260) 5.215 9.932 ( 2.882 4.338 0.260) 5.215 10.160 ( 3.803 -2.600 3.087) 5.546 10.160 ( 3.803 2.601 3.087) 5.546 11.796 ( -5.825 -2.971 -0.319) 6.547 11.796 ( -5.825 2.971 -0.319) 6.547 ======================= Grid point 158 (84/144) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.787 -3.986 0.418) 4.389 0.960 ( 1.787 3.986 0.418) 4.389 1.155 ( -0.294 -0.356 -0.404) 0.613 1.155 ( -0.294 0.356 -0.404) 0.613 1.365 ( 1.706 -3.269 0.371) 3.706 1.365 ( 1.706 3.269 0.371) 3.706 1.591 ( 0.280 -5.063 -0.659) 5.114 1.591 ( 0.280 5.063 -0.659) 5.114 1.717 ( 2.201 -3.447 0.897) 4.187 1.717 ( 2.201 3.447 0.897) 4.187 1.788 ( -0.013 -3.434 -0.619) 3.489 1.788 ( -0.013 3.434 -0.619) 3.489 1.997 ( -1.602 -0.400 0.921) 1.891 1.997 ( -1.602 0.400 0.921) 1.891 2.145 ( -0.502 -4.292 0.366) 4.337 2.145 ( -0.502 4.292 0.366) 4.337 2.400 ( 1.558 -2.067 -1.718) 3.107 2.400 ( 1.558 2.067 -1.718) 3.107 2.574 ( -1.864 -1.371 -0.009) 2.314 2.574 ( -1.864 1.371 -0.009) 2.314 3.177 ( -0.114 -2.081 0.954) 2.292 3.177 ( -0.114 2.081 0.954) 2.292 4.273 ( -2.927 -1.240 -0.509) 3.220 4.273 ( -2.927 1.240 -0.509) 3.220 5.709 ( -19.588 -8.685 1.706) 21.494 5.709 ( -19.588 8.685 1.706) 21.495 6.046 ( -20.819 -11.803 0.377) 23.935 6.046 ( -20.819 11.803 0.377) 23.935 6.534 ( -11.521 -5.786 2.272) 13.091 6.534 ( -11.521 5.786 2.272) 13.091 7.064 ( -0.743 -4.323 -2.636) 5.118 7.064 ( -0.743 4.323 -2.636) 5.118 8.223 ( 0.159 -5.014 -2.773) 5.732 8.223 ( 0.159 5.014 -2.773) 5.732 9.419 ( 17.139 -10.296 -1.131) 20.026 9.419 ( 17.139 10.296 -1.131) 20.026 9.973 ( 0.439 -4.505 2.077) 4.980 9.973 ( 0.440 4.505 2.077) 4.980 10.290 ( 7.944 -6.091 0.740) 10.038 10.290 ( 7.944 6.091 0.740) 10.038 11.643 ( -9.560 -3.003 -0.191) 10.022 11.643 ( -9.560 3.003 -0.191) 10.022 ======================= Grid point 160 (85/144) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.084 -3.285 0.723) 3.365 0.980 ( 0.084 3.285 0.723) 3.365 1.155 ( 0.464 -1.375 -0.957) 1.738 1.155 ( 0.464 1.375 -0.957) 1.738 1.385 ( 0.280 -2.618 0.014) 2.633 1.385 ( 0.280 2.618 0.014) 2.633 1.599 ( 0.665 -3.454 0.065) 3.518 1.599 ( 0.665 3.454 0.065) 3.518 1.744 ( -0.484 -3.231 1.383) 3.548 1.744 ( -0.484 3.231 1.383) 3.548 1.807 ( 2.340 -4.469 -0.929) 5.129 1.807 ( 2.340 4.469 -0.929) 5.129 1.960 ( -2.123 -1.840 -0.642) 2.882 1.960 ( -2.123 1.840 -0.642) 2.882 2.153 ( 0.387 -3.451 1.775) 3.900 2.153 ( 0.387 3.451 1.775) 3.900 2.414 ( 1.065 -2.300 -1.988) 3.221 2.414 ( 1.065 2.300 -1.988) 3.221 2.541 ( -1.209 -1.497 -0.022) 1.925 2.541 ( -1.209 1.497 -0.022) 1.925 3.178 ( -0.319 -1.617 0.893) 1.874 3.178 ( -0.319 1.617 0.893) 1.874 4.222 ( -1.618 -0.884 -0.546) 1.923 4.222 ( -1.618 0.884 -0.546) 1.923 5.331 ( -13.882 -2.750 0.889) 14.180 5.331 ( -13.882 2.750 0.889) 14.180 5.861 ( -3.237 -5.457 4.283) 7.655 5.861 ( -3.237 5.457 4.283) 7.655 6.372 ( -6.184 -9.274 -1.278) 11.219 6.372 ( -6.184 9.274 -1.278) 11.219 7.064 ( 1.834 -6.513 2.301) 7.147 7.064 ( 1.834 6.513 2.301) 7.147 8.176 ( -1.325 -3.970 -6.321) 7.581 8.176 ( -1.325 3.971 -6.321) 7.581 9.664 ( 7.536 -5.816 -0.577) 9.537 9.664 ( 7.536 5.816 -0.577) 9.537 9.985 ( -0.488 -4.155 2.041) 4.655 9.985 ( -0.488 4.155 2.041) 4.655 10.428 ( 4.897 -3.667 -0.026) 6.118 10.428 ( 4.897 3.667 -0.026) 6.118 11.478 ( -5.886 -2.547 0.040) 6.413 11.478 ( -5.886 2.547 0.040) 6.413 ======================= Grid point 162 (86/144) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -0.524 -3.279 0.738) 3.402 0.980 ( -0.524 3.279 0.738) 3.402 1.151 ( -0.246 -1.420 -1.048) 1.782 1.151 ( -0.246 1.420 -1.048) 1.782 1.378 ( -0.931 -1.426 -0.115) 1.707 1.378 ( -0.931 1.426 -0.115) 1.707 1.614 ( 0.735 -2.645 0.405) 2.775 1.614 ( 0.735 2.645 0.405) 2.775 1.729 ( -1.639 -2.769 0.928) 3.349 1.729 ( -1.639 2.769 0.928) 3.349 1.833 ( 0.674 -5.227 -1.007) 5.366 1.833 ( 0.674 5.227 -1.007) 5.366 1.925 ( -0.924 -2.736 -0.158) 2.893 1.925 ( -0.924 2.736 -0.158) 2.893 2.177 ( 0.855 -3.159 1.854) 3.762 2.177 ( 0.855 3.159 1.854) 3.762 2.408 ( -0.299 -1.753 -2.158) 2.796 2.408 ( -0.299 1.753 -2.158) 2.796 2.540 ( 1.082 -1.745 -0.076) 2.055 2.540 ( 1.082 1.745 -0.076) 2.055 3.177 ( -0.460 -1.621 0.875) 1.898 3.177 ( -0.460 1.621 0.875) 1.899 4.221 ( 1.932 -0.924 -0.570) 2.216 4.221 ( 1.932 0.924 -0.570) 2.216 5.333 ( 13.559 -2.495 0.922) 13.818 5.333 ( 13.559 2.495 0.922) 13.818 5.915 ( 4.859 -6.410 5.724) 9.872 5.915 ( 4.859 6.410 5.724) 9.872 6.310 ( 2.132 -8.260 -2.422) 8.868 6.310 ( 2.132 8.260 -2.422) 8.868 7.151 ( 3.603 -7.448 4.148) 9.255 7.151 ( 3.603 7.448 4.148) 9.255 8.113 ( 0.222 -1.933 -8.085) 8.316 8.113 ( 0.222 1.933 -8.085) 8.316 9.673 ( -6.275 -4.170 -0.476) 7.549 9.673 ( -6.275 4.170 -0.476) 7.549 9.974 ( -1.746 -4.996 1.851) 5.607 9.974 ( -1.746 4.996 1.851) 5.607 10.422 ( -5.437 -4.186 -0.142) 6.864 10.422 ( -5.437 4.186 -0.142) 6.864 11.482 ( 6.213 -1.918 0.133) 6.503 11.482 ( 6.213 1.918 0.133) 6.503 ======================= Grid point 164 (87/144) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -1.969 -3.932 0.496) 4.425 0.963 ( -1.969 3.932 0.496) 4.425 1.143 ( 0.464 -0.707 -0.652) 1.068 1.143 ( 0.464 0.707 -0.652) 1.068 1.348 ( -2.121 -0.660 0.027) 2.221 1.348 ( -2.121 0.660 0.027) 2.221 1.626 ( 0.190 -5.061 -0.085) 5.065 1.626 ( 0.190 5.061 -0.085) 5.065 1.705 ( -1.004 -1.241 1.008) 1.887 1.705 ( -1.004 1.241 1.008) 1.887 1.819 ( -1.153 -5.300 -1.364) 5.592 1.819 ( -1.153 5.300 -1.364) 5.592 1.928 ( 0.866 -2.164 1.176) 2.611 1.928 ( 0.866 2.164 1.176) 2.611 2.204 ( 0.803 -2.726 1.125) 3.057 2.204 ( 0.803 2.726 1.125) 3.057 2.383 ( -0.650 -1.358 -2.066) 2.556 2.383 ( -0.650 1.358 -2.066) 2.556 2.570 ( 1.867 -1.516 -0.145) 2.409 2.570 ( 1.867 1.516 -0.145) 2.410 3.172 ( -0.581 -1.913 0.893) 2.190 3.172 ( -0.581 1.913 0.893) 2.190 4.274 ( 3.450 -1.528 -0.487) 3.804 4.274 ( 3.450 1.528 -0.487) 3.804 5.751 ( 23.742 -11.239 2.220) 26.361 5.751 ( 23.741 11.239 2.220) 26.361 6.122 ( 15.413 -13.565 2.543) 20.689 6.122 ( 15.413 13.565 2.543) 20.689 6.450 ( 13.478 -4.892 0.211) 14.340 6.450 ( 13.478 4.892 0.211) 14.340 7.186 ( -2.529 -6.353 0.392) 6.849 7.186 ( -2.529 6.353 0.392) 6.849 8.097 ( 2.549 -2.786 -5.720) 6.854 8.097 ( 2.549 2.786 -5.720) 6.854 9.441 ( -15.964 -9.075 -0.871) 18.383 9.441 ( -15.964 9.075 -0.871) 18.383 9.964 ( -0.632 -6.933 2.135) 7.282 9.964 ( -0.632 6.933 2.135) 7.282 10.270 ( -9.369 -7.034 0.191) 11.718 10.270 ( -9.369 7.035 0.191) 11.718 11.650 ( 9.612 -1.623 -0.025) 9.748 11.650 ( 9.612 1.623 -0.025) 9.748 ======================= Grid point 166 (88/144) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.585 -4.185 0.170) 4.922 0.917 ( -2.585 4.185 0.170) 4.922 1.168 ( 2.239 -0.803 -0.125) 2.382 1.168 ( 2.239 0.803 -0.125) 2.382 1.301 ( -2.808 -1.001 0.363) 3.003 1.301 ( -2.808 1.001 0.363) 3.003 1.618 ( -0.443 -5.682 -0.654) 5.737 1.618 ( -0.443 5.682 -0.654) 5.737 1.705 ( -0.323 -0.921 0.609) 1.151 1.705 ( -0.323 0.921 0.609) 1.151 1.787 ( -0.647 -3.384 -1.227) 3.658 1.787 ( -0.647 3.384 -1.227) 3.658 1.963 ( 1.264 -1.113 2.399) 2.931 1.963 ( 1.264 1.113 2.399) 2.931 2.215 ( -0.148 -2.497 -0.247) 2.513 2.215 ( -0.148 2.497 -0.247) 2.513 2.363 ( 0.009 -1.268 -1.698) 2.119 2.363 ( 0.009 1.268 -1.698) 2.119 2.600 ( 1.211 -1.318 -0.066) 1.791 2.600 ( 1.211 1.318 -0.066) 1.791 3.168 ( -0.464 -2.287 0.958) 2.523 3.168 ( -0.464 2.287 0.958) 2.523 4.328 ( 2.288 -1.031 -0.536) 2.567 4.328 ( 2.288 1.031 -0.536) 2.567 6.085 ( 10.402 -3.882 1.055) 11.153 6.085 ( 10.402 3.882 1.055) 11.153 6.473 ( 15.809 -12.663 0.721) 20.268 6.473 ( 15.809 12.663 0.721) 20.268 6.804 ( 16.400 -5.241 0.672) 17.231 6.804 ( 16.400 5.241 0.672) 17.231 7.106 ( 0.849 -10.773 -1.026) 10.855 7.106 ( 0.849 10.773 -1.026) 10.855 8.087 ( -2.295 -8.860 -1.982) 9.365 8.087 ( -2.295 8.860 -1.982) 9.365 9.149 ( -11.633 -6.194 -2.209) 13.363 9.149 ( -11.633 6.194 -2.209) 13.363 9.953 ( -2.592 -6.800 0.800) 7.321 9.953 ( -2.592 6.800 0.800) 7.321 10.120 ( -5.484 -2.606 2.317) 6.499 10.120 ( -5.484 2.606 2.317) 6.499 11.801 ( 5.783 -1.907 -0.205) 6.092 11.801 ( 5.783 1.907 -0.205) 6.092 ======================= Grid point 210 (89/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 1.860 0.000 3.121) 3.634 0.352 ( -0.168 0.000 4.783) 4.786 0.505 ( 0.256 0.000 5.816) 5.821 0.559 ( 0.600 0.000 -1.025) 1.188 0.756 ( 0.524 0.000 -4.149) 4.182 0.867 ( 0.025 0.000 -3.163) 3.164 1.027 ( -0.253 0.000 -0.721) 0.764 1.055 ( -0.032 0.000 -0.070) 0.077 1.094 ( 0.127 0.000 0.000) 0.127 1.277 ( 0.375 0.000 0.315) 0.490 1.303 ( -0.825 0.000 1.648) 1.843 1.317 ( -0.204 0.000 -0.206) 0.290 1.498 ( 0.777 0.000 -4.511) 4.577 1.579 ( -0.221 0.000 0.887) 0.914 1.666 ( 0.302 0.000 -0.516) 0.597 1.898 ( -3.474 0.000 5.373) 6.398 1.946 ( 3.384 0.000 0.816) 3.481 2.122 ( 0.039 0.000 -0.163) 0.168 2.208 ( 0.175 0.000 0.048) 0.182 2.650 ( -1.558 0.000 2.910) 3.301 2.749 ( -0.869 0.000 -4.959) 5.035 2.977 ( -0.002 0.000 -0.598) 0.598 3.426 ( 2.268 0.000 0.534) 2.330 3.969 ( -0.730 0.000 1.008) 1.244 5.563 ( 1.098 0.000 1.767) 2.080 5.720 ( -1.839 0.000 -2.322) 2.962 5.956 ( 0.687 0.000 0.497) 0.848 6.178 ( 0.087 0.000 -0.009) 0.087 6.385 ( -3.787 0.000 0.427) 3.811 6.593 ( 0.282 0.000 0.204) 0.348 6.998 ( 5.981 0.000 -3.165) 6.767 7.210 ( -2.466 0.000 -0.510) 2.518 7.637 ( -0.061 0.000 0.085) 0.105 8.217 ( -2.261 0.000 -2.248) 3.188 8.382 ( 0.029 0.000 -0.018) 0.034 8.710 ( -2.761 0.000 2.816) 3.944 8.803 ( 4.669 0.000 8.319) 9.539 9.757 ( -1.127 0.000 -7.166) 7.254 10.975 ( 0.163 0.000 2.169) 2.176 11.532 ( 3.702 0.000 -2.563) 4.503 12.012 ( -0.218 0.000 -0.170) 0.277 12.176 ( -0.463 0.000 1.381) 1.456 ======================= Grid point 211 (90/144) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 6.191 0.000 -2.065) 6.526 0.438 ( 6.104 0.000 1.672) 6.329 0.506 ( -1.442 0.000 4.686) 4.903 0.751 ( 15.673 0.000 -7.404) 17.334 0.851 ( 8.686 0.000 1.190) 8.768 0.862 ( 0.818 0.000 -1.186) 1.441 1.009 ( -3.801 0.000 -0.102) 3.803 1.014 ( -0.962 0.000 0.027) 0.963 1.094 ( -0.643 0.000 -0.026) 0.644 1.235 ( -5.171 0.000 1.531) 5.392 1.284 ( 0.389 0.000 -0.557) 0.679 1.331 ( 1.446 0.000 0.257) 1.469 1.509 ( 0.972 0.000 -1.999) 2.222 1.600 ( 1.986 0.000 0.663) 2.094 1.674 ( 0.640 0.000 -1.209) 1.368 1.870 ( -0.729 0.000 2.690) 2.787 2.021 ( 3.657 0.000 -0.608) 3.707 2.124 ( 0.315 0.000 -0.129) 0.341 2.216 ( 0.527 0.000 0.709) 0.884 2.655 ( -1.064 0.000 3.446) 3.607 2.772 ( 4.102 0.000 -1.239) 4.285 2.976 ( 0.173 0.000 -0.083) 0.192 3.430 ( -1.120 0.000 -2.922) 3.129 3.964 ( -0.594 0.000 1.505) 1.618 5.457 ( -11.733 0.000 -0.752) 11.757 5.699 ( -1.760 0.000 1.994) 2.659 5.890 ( -7.155 0.000 -1.215) 7.257 6.008 ( -13.769 0.000 -0.086) 13.769 6.224 ( -13.029 0.000 2.657) 13.297 6.687 ( 6.559 0.000 1.836) 6.811 6.943 ( -2.721 0.000 -4.159) 4.970 7.417 ( 15.741 0.000 -2.314) 15.910 7.746 ( 9.747 0.000 0.112) 9.747 8.361 ( 8.804 0.000 5.558) 10.411 8.468 ( 8.021 0.000 -0.052) 8.021 8.574 ( -3.330 0.000 0.302) 3.344 9.169 ( 26.600 0.000 0.620) 26.608 9.731 ( 0.695 0.000 -2.109) 2.221 10.942 ( -4.292 0.000 0.539) 4.325 11.497 ( -3.413 0.000 -7.942) 8.644 11.900 ( -8.812 0.000 0.873) 8.855 12.146 ( -3.576 0.000 1.418) 3.847 ======================= Grid point 212 (91/144) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 3.881 0.000 1.695) 4.235 0.545 ( 4.856 0.000 -2.970) 5.693 0.571 ( 6.908 0.000 -0.462) 6.924 0.866 ( -1.491 0.000 0.342) 1.530 0.909 ( 6.603 0.000 -6.434) 9.220 0.942 ( -1.840 0.000 0.325) 1.868 0.972 ( -2.430 0.000 0.687) 2.525 1.049 ( 6.630 0.000 2.267) 7.007 1.070 ( -1.593 0.000 -0.167) 1.602 1.189 ( -0.745 0.000 3.116) 3.203 1.286 ( 0.366 0.000 -0.843) 0.919 1.363 ( 1.468 0.000 0.305) 1.499 1.483 ( -1.261 0.000 -2.528) 2.825 1.648 ( -2.551 0.000 -2.145) 3.333 1.661 ( 3.804 0.000 0.405) 3.826 1.933 ( 5.042 0.000 1.901) 5.388 2.070 ( 2.906 0.000 -2.651) 3.934 2.129 ( 0.104 0.000 -0.099) 0.143 2.238 ( 0.583 0.000 1.923) 2.010 2.659 ( -0.784 0.000 3.746) 3.827 2.817 ( 0.690 0.000 -0.542) 0.878 2.988 ( 0.812 0.000 1.075) 1.347 3.358 ( -3.731 0.000 -3.317) 4.992 3.966 ( -0.233 0.000 1.459) 1.477 5.185 ( -14.387 0.000 -0.372) 14.391 5.501 ( -19.384 0.000 0.459) 19.389 5.767 ( -1.725 0.000 1.166) 2.082 5.854 ( -3.655 0.000 -1.287) 3.875 5.978 ( -12.778 0.000 1.099) 12.826 6.778 ( 0.790 0.000 -0.060) 0.793 6.968 ( 4.640 0.000 9.872) 10.908 7.600 ( 5.841 0.000 -5.785) 8.221 7.937 ( 9.088 0.000 0.101) 9.089 8.479 ( 3.978 0.000 7.006) 8.056 8.632 ( 8.037 0.000 -0.062) 8.037 8.641 ( 5.606 0.000 -2.134) 5.999 9.709 ( -0.730 0.000 7.896) 7.930 9.770 ( 29.274 0.000 -5.571) 29.800 10.840 ( -5.669 0.000 -0.590) 5.700 11.342 ( -3.599 0.000 -13.489) 13.961 11.775 ( -4.774 0.000 1.377) 4.969 12.070 ( -4.956 0.000 1.730) 5.250 ======================= Grid point 213 (92/144) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 2.757 0.000 0.738) 2.854 0.654 ( 7.852 0.000 -1.446) 7.984 0.675 ( 3.532 0.000 -0.405) 3.555 0.802 ( -3.182 0.000 -0.270) 3.193 0.883 ( -6.761 0.000 -2.350) 7.158 0.944 ( 1.458 0.000 -3.603) 3.887 0.960 ( 1.716 0.000 1.412) 2.223 1.038 ( -1.456 0.000 -0.646) 1.593 1.115 ( 0.050 0.000 1.123) 1.124 1.253 ( 3.052 0.000 7.083) 7.713 1.286 ( 0.110 0.000 -0.701) 0.710 1.385 ( 0.555 0.000 0.242) 0.606 1.471 ( 2.618 0.000 -5.065) 5.702 1.551 ( -5.424 0.000 -2.813) 6.110 1.730 ( 2.387 0.000 0.318) 2.408 2.034 ( 2.900 0.000 2.326) 3.718 2.102 ( 1.838 0.000 -2.342) 2.977 2.126 ( -0.216 0.000 -0.103) 0.239 2.252 ( -0.448 0.000 1.798) 1.853 2.670 ( -0.963 0.000 3.950) 4.065 2.813 ( 0.727 0.000 -2.306) 2.418 3.012 ( 0.727 0.000 1.308) 1.496 3.272 ( -2.767 0.000 -2.106) 3.477 3.972 ( -0.062 0.000 1.063) 1.065 4.980 ( -5.868 0.000 -0.032) 5.869 5.198 ( -9.723 0.000 -0.022) 9.723 5.760 ( -0.450 0.000 1.464) 1.531 5.804 ( -4.807 0.000 -0.509) 4.834 5.805 ( -0.855 0.000 -1.433) 1.669 6.773 ( 0.119 0.000 -0.570) 0.583 7.159 ( 4.478 0.000 16.299) 16.903 7.622 ( 2.191 0.000 -7.095) 7.426 8.061 ( 3.423 0.000 0.079) 3.424 8.541 ( -0.916 0.000 -0.273) 0.955 8.741 ( 3.113 0.000 -0.050) 3.114 8.752 ( 6.383 0.000 -1.201) 6.495 9.660 ( -4.650 0.000 5.261) 7.021 10.196 ( 10.750 0.000 3.034) 11.170 10.747 ( -3.222 0.000 -0.498) 3.260 11.230 ( 1.514 0.000 -15.087) 15.163 11.729 ( -0.977 0.000 1.026) 1.417 12.003 ( -2.747 0.000 1.988) 3.391 ======================= Grid point 214 (93/144) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 1.591 0.000 -2.693) 3.128 0.646 ( -5.999 0.000 1.949) 6.308 0.674 ( -9.075 0.000 -2.919) 9.533 0.819 ( 4.225 0.000 3.014) 5.190 0.819 ( 4.646 0.000 -1.594) 4.912 0.935 ( -0.556 0.000 -2.572) 2.631 0.990 ( -0.120 0.000 -1.092) 1.098 1.020 ( 0.806 0.000 0.796) 1.132 1.108 ( -0.605 0.000 1.872) 1.967 1.281 ( -0.235 0.000 -0.284) 0.368 1.343 ( -0.399 0.000 3.651) 3.673 1.386 ( -0.572 0.000 0.140) 0.589 1.403 ( -3.011 0.000 -3.130) 4.343 1.537 ( 4.621 0.000 -2.256) 5.142 1.728 ( -2.799 0.000 0.452) 2.835 2.049 ( -2.686 0.000 2.685) 3.797 2.085 ( -2.735 0.000 -2.637) 3.800 2.126 ( 0.333 0.000 -0.136) 0.360 2.249 ( -1.120 0.000 2.216) 2.483 2.671 ( -1.252 0.000 3.768) 3.971 2.829 ( 2.916 0.000 -3.735) 4.739 3.029 ( 0.492 0.000 -0.016) 0.492 3.248 ( 1.124 0.000 -0.125) 1.131 3.977 ( 0.054 0.000 0.559) 0.561 4.980 ( 5.835 0.000 -0.044) 5.835 5.197 ( 9.674 0.000 0.060) 9.674 5.769 ( 0.616 0.000 1.316) 1.453 5.797 ( 0.788 0.000 -1.356) 1.568 5.810 ( 6.151 0.000 -1.141) 6.256 6.784 ( 1.422 0.000 -1.566) 2.116 7.314 ( 2.273 0.000 10.480) 10.724 7.583 ( -1.232 0.000 -11.117) 11.185 8.061 ( -3.436 0.000 0.052) 3.437 8.503 ( -2.075 0.000 1.675) 2.667 8.741 ( -3.112 0.000 -0.028) 3.113 8.769 ( -3.794 0.000 -3.675) 5.282 9.657 ( -0.068 0.000 9.238) 9.238 10.185 ( -13.205 0.000 3.129) 13.570 10.727 ( 1.176 0.000 1.007) 1.548 11.179 ( 1.539 0.000 -11.172) 11.277 11.748 ( 2.581 0.000 -0.650) 2.662 12.006 ( 1.718 0.000 1.705) 2.420 ======================= Grid point 215 (94/144) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -9.504 0.000 -1.382) 9.604 0.523 ( -8.369 0.000 3.528) 9.082 0.561 ( 0.838 0.000 -4.306) 4.387 0.793 ( -9.910 0.000 5.524) 11.345 0.902 ( 4.323 0.000 -2.352) 4.921 0.955 ( 3.313 0.000 1.239) 3.537 0.963 ( -0.252 0.000 -1.865) 1.882 1.059 ( 1.835 0.000 0.997) 2.088 1.118 ( -1.716 0.000 -3.181) 3.615 1.242 ( -2.443 0.000 -3.621) 4.368 1.275 ( -0.402 0.000 0.228) 0.463 1.366 ( -1.419 0.000 -0.030) 1.419 1.450 ( 3.022 0.000 2.443) 3.886 1.619 ( 4.063 0.000 -0.155) 4.066 1.657 ( -4.222 0.000 0.710) 4.281 1.969 ( -6.171 0.000 -1.476) 6.345 1.998 ( -4.567 0.000 3.203) 5.579 2.129 ( -0.010 0.000 -0.165) 0.166 2.237 ( -1.882 0.000 2.578) 3.192 2.677 ( -0.330 0.000 2.060) 2.086 2.866 ( 3.471 0.000 -4.768) 5.898 3.023 ( -0.669 0.000 -2.057) 2.163 3.296 ( 2.498 0.000 2.179) 3.315 3.979 ( -0.211 0.000 0.309) 0.375 5.180 ( 13.837 0.000 0.151) 13.838 5.505 ( 20.109 0.000 0.090) 20.110 5.797 ( 1.588 0.000 -1.540) 2.212 5.826 ( 3.631 0.000 1.267) 3.846 6.006 ( 14.450 0.000 -1.514) 14.529 6.790 ( -0.031 0.000 -1.877) 1.877 7.293 ( -6.249 0.000 -18.804) 19.816 7.469 ( -4.784 0.000 5.258) 7.108 7.938 ( -9.115 0.000 0.030) 9.115 8.513 ( -0.385 0.000 7.243) 7.254 8.611 ( -7.077 0.000 -4.847) 8.578 8.631 ( -8.029 0.000 -0.004) 8.029 9.606 ( -26.342 0.000 10.149) 28.229 9.900 ( -2.688 0.000 -7.220) 7.704 10.799 ( 4.566 0.000 2.933) 5.426 11.174 ( 3.484 0.000 1.429) 3.766 11.810 ( 4.730 0.000 -1.843) 5.076 12.074 ( 3.752 0.000 1.400) 4.005 ======================= Grid point 216 (95/144) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -7.893 0.000 2.640) 8.323 0.395 ( -7.257 0.000 5.244) 8.954 0.555 ( 0.866 0.000 -2.733) 2.867 0.615 ( -12.310 0.000 8.186) 14.783 0.898 ( -0.537 0.000 -4.161) 4.195 0.928 ( -11.277 0.000 -6.483) 13.008 1.010 ( 3.863 0.000 -0.194) 3.868 1.019 ( 1.781 0.000 -0.375) 1.820 1.090 ( 0.767 0.000 0.436) 0.882 1.257 ( 3.239 0.000 -0.762) 3.327 1.271 ( -0.156 0.000 0.560) 0.581 1.337 ( -1.444 0.000 -0.240) 1.463 1.510 ( 1.769 0.000 -1.122) 2.095 1.598 ( -2.419 0.000 0.908) 2.584 1.664 ( 0.854 0.000 -0.578) 1.032 1.888 ( -0.855 0.000 0.657) 1.079 1.946 ( -3.780 0.000 5.407) 6.597 2.125 ( -0.233 0.000 -0.178) 0.293 2.215 ( -1.571 0.000 1.708) 2.320 2.674 ( -1.086 0.000 0.615) 1.248 2.852 ( -2.342 0.000 -8.021) 8.356 2.986 ( -0.860 0.000 -1.281) 1.543 3.360 ( 2.327 0.000 4.000) 4.628 3.975 ( -0.417 0.000 0.519) 0.665 5.434 ( 10.727 0.000 1.231) 10.797 5.754 ( 2.115 0.000 -3.005) 3.675 5.863 ( 7.176 0.000 1.367) 7.305 6.003 ( 14.430 0.000 0.362) 14.435 6.283 ( 14.269 0.000 -3.201) 14.624 6.727 ( -7.445 0.000 -2.383) 7.817 6.986 ( -7.849 0.000 -9.894) 12.629 7.377 ( -9.576 0.000 2.800) 9.977 7.747 ( -9.814 0.000 0.036) 9.815 8.458 ( -11.140 0.000 -2.924) 11.518 8.468 ( -7.988 0.000 0.006) 7.988 8.566 ( 4.475 0.000 0.166) 4.478 9.007 ( -29.278 0.000 12.360) 31.780 9.855 ( -0.907 0.000 -11.706) 11.741 10.911 ( 4.253 0.000 3.286) 5.375 11.368 ( 11.337 0.000 6.370) 13.004 11.914 ( 7.415 0.000 -0.672) 7.445 12.146 ( 2.504 0.000 1.412) 2.875 ======================= Grid point 217 (96/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 0.777 2.665 1.014) 2.956 0.496 ( -3.551 1.312 6.563) 7.577 0.567 ( 5.581 4.396 -1.322) 7.226 0.616 ( -0.831 13.516 0.206) 13.543 0.748 ( -0.917 -0.059 -4.744) 4.832 0.990 ( -0.153 -1.814 -0.680) 1.943 1.037 ( -0.620 12.599 0.874) 12.645 1.134 ( -0.461 7.160 0.088) 7.175 1.182 ( 1.438 8.120 -1.150) 8.326 1.283 ( -0.766 -0.885 1.342) 1.781 1.369 ( 0.432 7.776 0.106) 7.788 1.400 ( -0.285 6.795 0.014) 6.801 1.486 ( 0.162 0.929 -3.252) 3.386 1.631 ( 0.854 -1.307 -0.248) 1.580 1.741 ( -0.574 11.811 -0.012) 11.824 1.878 ( -2.165 -1.499 4.617) 5.315 1.927 ( 2.545 -1.241 1.170) 3.064 2.110 ( -0.273 -0.423 0.215) 0.548 2.335 ( 0.053 10.620 -0.351) 10.626 2.639 ( -2.184 -0.372 2.421) 3.282 2.711 ( 0.680 -2.202 -4.124) 4.724 2.942 ( -0.041 -2.768 -0.378) 2.793 3.390 ( 1.462 -2.772 1.188) 3.352 3.917 ( -0.665 -4.265 0.968) 4.424 5.719 ( 2.494 2.112 -1.901) 3.781 5.771 ( -1.268 2.082 -1.963) 3.130 6.060 ( 1.620 0.052 1.070) 1.942 6.158 ( -3.716 17.540 -4.734) 18.544 6.423 ( -0.431 -9.176 -1.533) 9.313 6.648 ( -0.273 6.790 -2.319) 7.180 6.934 ( 0.936 3.771 -2.546) 4.645 7.176 ( -0.391 -4.112 -0.070) 4.132 7.608 ( 0.484 12.250 1.159) 12.314 8.225 ( 4.033 -12.004 2.981) 13.010 8.387 ( -5.115 -9.006 1.616) 10.482 8.837 ( 0.399 8.439 -0.597) 8.469 9.107 ( 0.713 34.269 3.588) 34.464 9.770 ( -0.652 2.679 -6.086) 6.682 10.918 ( 0.027 -5.319 1.855) 5.633 11.255 ( 3.391 -25.168 2.251) 25.495 11.871 ( -0.618 -8.974 1.127) 9.065 12.135 ( -0.353 -3.620 1.558) 3.957 ======================= Grid point 218 (97/144) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 6.952 1.981 -0.228) 7.233 0.490 ( -0.066 -0.186 2.746) 2.753 0.629 ( 3.561 11.443 -0.467) 11.993 0.739 ( 8.984 0.429 -4.910) 10.247 0.830 ( 9.094 0.304 0.958) 9.149 0.979 ( -0.670 -0.350 0.388) 0.850 1.041 ( -1.542 10.201 2.176) 10.544 1.094 ( -1.882 7.064 -0.447) 7.324 1.164 ( -1.393 7.010 -1.692) 7.345 1.275 ( -1.404 4.225 1.456) 4.684 1.371 ( 0.142 7.244 -0.814) 7.291 1.404 ( 1.254 6.634 0.245) 6.756 1.497 ( 1.246 0.567 -1.210) 1.827 1.651 ( 1.264 -1.500 -1.650) 2.563 1.749 ( 1.094 11.701 0.571) 11.766 1.859 ( -0.296 -0.599 2.550) 2.636 1.995 ( 3.294 -1.894 -1.114) 3.960 2.132 ( 2.055 0.142 1.005) 2.292 2.330 ( -0.481 10.164 -0.099) 10.176 2.641 ( -0.707 -0.543 3.400) 3.515 2.748 ( 4.573 -1.282 -1.999) 5.153 2.947 ( 0.567 -2.428 0.056) 2.494 3.393 ( -1.095 -2.986 -1.807) 3.658 3.919 ( 0.002 -3.768 1.380) 4.013 5.587 ( -9.099 3.376 -1.712) 9.855 5.792 ( -0.708 6.014 -1.522) 6.244 5.985 ( -5.086 5.049 -0.257) 7.171 6.119 ( -5.382 25.347 0.759) 25.923 6.412 ( -6.445 3.482 1.299) 7.440 6.632 ( 4.893 -2.251 0.911) 5.462 6.923 ( 0.345 1.544 -1.033) 1.889 7.384 ( 19.567 -7.166 -1.469) 20.889 7.641 ( 3.714 4.925 -0.239) 6.173 8.201 ( -3.155 -12.325 -2.287) 12.926 8.436 ( 4.873 -4.832 6.935) 9.756 8.837 ( 0.286 8.391 -1.525) 8.533 9.325 ( 17.795 18.687 1.633) 25.856 9.740 ( -0.128 2.267 -2.107) 3.097 10.890 ( -3.666 -4.900 0.717) 6.161 11.212 ( -5.830 -25.601 -5.782) 26.886 11.816 ( -4.730 -5.890 1.111) 7.636 12.116 ( -2.557 -2.579 1.277) 3.850 ======================= Grid point 219 (98/144) ======================= q-point: ( 0.29 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 4.139 4.494 2.266) 6.516 0.537 ( 6.335 0.001 -2.791) 6.923 0.713 ( 5.116 8.899 -0.639) 10.284 0.840 ( 4.876 -1.917 -4.204) 6.717 0.943 ( -0.818 -0.395 -0.309) 0.960 0.969 ( -4.146 6.275 2.114) 7.812 0.997 ( 2.233 1.945 1.883) 3.510 1.119 ( 2.008 6.158 1.873) 6.743 1.136 ( 0.049 8.053 -0.920) 8.105 1.258 ( -1.144 6.441 1.552) 6.723 1.364 ( -0.266 5.834 -1.366) 5.998 1.437 ( 1.609 6.503 0.130) 6.701 1.491 ( -0.343 1.722 -1.743) 2.474 1.635 ( -1.730 -0.537 -2.037) 2.726 1.787 ( 2.723 10.073 0.111) 10.435 1.926 ( 4.826 0.087 2.252) 5.326 2.035 ( 2.559 -2.144 -2.501) 4.171 2.182 ( 1.845 1.046 0.985) 2.339 2.317 ( -0.859 9.191 0.407) 9.240 2.651 ( -0.469 -0.036 3.451) 3.483 2.803 ( 1.624 -0.469 -1.012) 1.970 2.965 ( 0.908 -2.181 0.976) 2.556 3.333 ( -3.282 -2.170 -2.722) 4.784 3.932 ( 0.278 -2.994 1.393) 3.314 5.408 ( -8.100 12.081 -0.879) 14.571 5.701 ( -7.257 16.120 -0.617) 17.689 5.910 ( -3.971 14.321 0.253) 14.864 5.960 ( -8.287 19.200 -1.021) 20.937 6.232 ( -10.216 16.867 2.038) 19.825 6.740 ( 2.486 -3.923 -0.515) 4.673 7.001 ( 5.196 3.502 10.849) 12.528 7.614 ( 3.239 3.233 -4.276) 6.263 7.871 ( 19.830 -8.706 -0.962) 21.678 8.235 ( 7.638 -11.635 1.711) 14.023 8.551 ( 3.514 -7.871 1.657) 8.778 8.831 ( -0.080 7.514 -0.453) 7.528 9.677 ( 7.595 -3.831 8.215) 11.826 9.730 ( 7.098 -1.503 -5.195) 8.923 10.806 ( -4.738 -3.336 -0.202) 5.798 11.022 ( -6.229 -28.240 -12.158) 31.371 11.746 ( -2.978 -2.546 0.942) 4.029 12.062 ( -3.625 -0.711 1.280) 3.910 ======================= Grid point 220 (99/144) ======================= q-point: ( 0.43 0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 2.045 1.741 -0.776) 2.796 0.675 ( 7.114 2.544 -0.423) 7.567 0.797 ( 3.887 3.687 -1.054) 5.460 0.857 ( -2.663 6.433 -1.547) 7.132 0.882 ( 0.102 0.441 -1.590) 1.653 0.916 ( -4.395 3.787 0.197) 5.805 1.042 ( 1.337 4.148 1.842) 4.731 1.124 ( -0.896 5.716 1.280) 5.926 1.166 ( 0.560 6.784 1.233) 6.918 1.264 ( 0.667 3.497 2.207) 4.189 1.350 ( -0.201 3.210 -1.062) 3.387 1.457 ( 0.003 6.459 0.721) 6.499 1.491 ( 2.325 2.835 -3.719) 5.222 1.566 ( -3.520 2.404 -1.861) 4.651 1.838 ( 1.850 9.254 0.053) 9.437 2.022 ( 2.466 -0.899 2.174) 3.408 2.066 ( 1.986 -2.218 -1.455) 3.314 2.200 ( -0.295 1.387 -0.097) 1.421 2.307 ( -0.446 8.100 0.743) 8.146 2.665 ( -0.557 0.308 3.344) 3.404 2.810 ( 0.735 0.396 -1.888) 2.064 2.987 ( 0.611 -2.389 1.149) 2.720 3.257 ( -2.416 -1.208 -1.967) 3.342 3.944 ( 0.118 -2.567 1.043) 2.773 5.295 ( -3.030 24.104 -0.254) 24.295 5.572 ( -4.358 31.496 -0.047) 31.796 5.786 ( -4.011 8.405 -1.707) 9.468 5.916 ( 0.437 13.142 0.154) 13.150 6.091 ( -4.928 19.070 0.171) 19.697 6.747 ( 0.179 -2.113 -0.920) 2.312 7.198 ( 4.631 3.913 16.295) 17.386 7.609 ( 1.245 -0.204 -5.910) 6.043 8.145 ( 7.749 6.018 -1.153) 9.879 8.385 ( 3.208 -11.143 0.167) 11.597 8.623 ( 4.948 -11.852 -1.649) 12.949 8.827 ( 0.041 5.687 -0.006) 5.688 9.648 ( -5.303 -1.414 7.422) 9.231 9.948 ( 6.358 -22.283 1.091) 23.198 10.728 ( -2.635 -3.072 -1.130) 4.202 10.866 ( -1.123 -31.675 -13.058) 34.280 11.719 ( -0.380 -1.019 0.441) 1.174 12.012 ( -2.213 0.531 1.533) 2.744 ======================= Grid point 221 (100/144) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 1.132 0.780 -2.697) 3.027 0.686 ( -6.547 2.291 -1.266) 7.050 0.783 ( -5.513 6.623 0.761) 8.651 0.836 ( 1.043 0.851 -1.831) 2.273 0.884 ( 2.641 1.337 1.888) 3.511 0.909 ( 3.482 7.792 -1.266) 8.628 1.066 ( 0.127 4.358 0.080) 4.361 1.110 ( -1.486 7.022 2.198) 7.507 1.179 ( 0.716 7.605 -0.021) 7.638 1.296 ( 0.816 1.934 -0.579) 2.178 1.329 ( -1.608 -0.631 0.992) 1.992 1.449 ( -1.159 5.480 0.373) 5.614 1.482 ( -0.919 6.830 -1.005) 6.964 1.551 ( 2.814 2.207 -1.279) 3.798 1.838 ( -1.824 9.232 -0.027) 9.411 2.026 ( -2.694 -1.856 1.951) 3.809 2.067 ( -2.113 -1.041 -1.780) 2.952 2.187 ( -0.729 1.337 0.847) 1.742 2.311 ( 0.358 8.224 0.525) 8.248 2.671 ( -0.821 0.659 3.019) 3.197 2.819 ( 1.745 -0.195 -2.870) 3.364 3.001 ( 0.305 -2.657 0.073) 2.675 3.234 ( 0.856 -1.070 -0.083) 1.373 3.949 ( -0.111 -2.585 0.546) 2.644 5.297 ( 3.407 24.432 -0.448) 24.673 5.578 ( 5.284 32.366 -0.515) 32.798 5.780 ( 4.361 6.988 -1.092) 8.309 5.932 ( 0.855 12.643 -1.425) 12.751 6.084 ( 4.861 19.785 0.749) 20.387 6.753 ( 1.065 -2.579 -1.478) 3.158 7.357 ( 2.726 4.528 10.839) 12.059 7.572 ( -0.817 -0.259 -10.563) 10.598 8.129 ( -8.768 3.868 0.514) 9.597 8.389 ( -0.337 -9.757 -0.486) 9.775 8.568 ( -10.934 -10.302 -0.305) 15.026 8.882 ( 5.509 6.068 -4.023) 9.130 9.640 ( -2.452 -3.226 12.487) 13.128 9.948 ( -5.719 -19.894 0.095) 20.700 10.700 ( 0.691 -9.019 -1.631) 9.191 10.809 ( 1.661 -27.243 -6.366) 28.026 11.733 ( 1.862 -1.403 -0.882) 2.492 12.009 ( 0.781 0.081 1.819) 1.981 ======================= Grid point 222 (101/144) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -9.384 4.605 -0.821) 10.485 0.551 ( 0.301 -0.160 -4.071) 4.085 0.668 ( -7.321 8.727 3.224) 11.838 0.801 ( -4.689 1.825 0.046) 5.032 0.942 ( 2.229 -0.105 0.384) 2.264 0.986 ( 3.624 5.616 1.045) 6.765 1.045 ( -0.773 6.544 -2.662) 7.107 1.106 ( -0.802 6.086 1.143) 6.244 1.160 ( -2.564 4.231 -2.256) 5.437 1.274 ( 0.368 4.377 -0.269) 4.401 1.350 ( 1.566 5.002 -0.452) 5.261 1.429 ( -0.917 4.870 0.512) 4.982 1.481 ( 0.545 4.561 1.136) 4.732 1.601 ( 2.140 -0.022 0.518) 2.202 1.789 ( -2.441 9.603 -0.214) 9.910 1.962 ( -5.706 -0.367 0.647) 5.754 1.978 ( -4.376 -0.640 0.475) 4.448 2.173 ( -1.978 1.199 1.698) 2.869 2.324 ( 0.560 9.402 0.237) 9.422 2.677 ( -0.183 0.530 1.456) 1.560 2.829 ( 1.080 -2.215 -3.586) 4.352 2.991 ( -0.975 -2.795 -1.458) 3.299 3.276 ( 2.300 -1.557 2.257) 3.579 3.944 ( -0.676 -3.036 0.248) 3.120 5.405 ( 7.952 11.853 -0.654) 14.288 5.723 ( 8.940 14.179 -2.300) 16.919 5.928 ( 4.580 14.950 -1.519) 15.709 5.949 ( 9.348 20.011 0.077) 22.087 6.257 ( 11.607 17.634 -0.431) 21.116 6.746 ( -1.581 -4.175 -1.521) 4.716 7.347 ( -5.457 5.092 -21.208) 22.483 7.496 ( -1.338 4.612 6.737) 8.273 7.852 ( -19.659 -10.425 0.929) 22.271 8.282 ( -11.672 -12.318 -4.190) 17.479 8.429 ( -1.371 -9.657 9.874) 13.879 8.906 ( 0.158 10.499 -5.580) 11.890 9.577 ( -16.655 -2.302 10.592) 19.872 9.862 ( 2.224 -2.803 -6.983) 7.846 10.746 ( 4.010 -12.768 4.226) 14.034 10.854 ( 4.530 -19.877 3.519) 20.688 11.772 ( 3.093 -3.318 -1.609) 4.813 12.055 ( 2.419 -1.542 1.962) 3.476 ======================= Grid point 223 (102/144) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -7.952 4.257 0.393) 9.029 0.536 ( 0.630 -0.689 -2.912) 3.058 0.557 ( -7.045 8.021 5.929) 12.211 0.690 ( -6.465 8.384 1.692) 10.721 0.898 ( -7.309 -0.220 -4.981) 8.848 0.993 ( -0.020 -1.005 -0.418) 1.089 1.058 ( -2.040 9.687 1.007) 9.951 1.098 ( 4.667 9.048 -2.099) 10.395 1.141 ( 1.273 4.602 0.100) 4.776 1.290 ( 0.358 3.496 -0.020) 3.514 1.357 ( -0.071 7.013 0.559) 7.036 1.414 ( -0.802 6.794 -0.743) 6.881 1.506 ( 0.771 1.073 -1.059) 1.693 1.623 ( 0.002 -0.911 0.887) 1.272 1.761 ( -0.711 10.519 -0.625) 10.561 1.871 ( -2.317 -0.114 0.920) 2.496 1.927 ( -3.083 -1.230 4.523) 5.610 2.136 ( -2.513 0.494 1.035) 2.762 2.333 ( 0.330 10.465 -0.037) 10.471 2.674 ( -0.961 0.505 0.165) 1.098 2.781 ( -3.512 -4.460 -4.911) 7.506 2.956 ( -1.139 -2.624 -1.011) 3.034 3.337 ( 2.061 -1.848 3.464) 4.434 3.929 ( -0.999 -3.821 0.437) 3.974 5.572 ( 9.579 2.508 -0.490) 9.914 5.816 ( 1.707 2.951 -3.169) 4.655 5.974 ( 4.070 5.213 0.577) 6.639 6.192 ( 10.908 30.913 -6.038) 33.333 6.439 ( 4.888 1.578 -1.571) 5.371 6.663 ( -3.843 -1.893 -2.876) 5.160 7.036 ( -9.807 7.321 -13.670) 18.348 7.370 ( -16.305 -7.369 0.386) 17.897 7.606 ( -3.210 3.271 3.556) 5.801 8.146 ( -0.803 -15.234 2.691) 15.491 8.460 ( -2.638 -9.685 5.208) 11.308 8.852 ( -1.197 11.570 -3.749) 12.221 9.261 ( -17.813 23.570 5.791) 30.106 9.838 ( -0.048 -0.507 -10.025) 10.038 10.864 ( 3.842 -5.002 3.302) 7.119 11.058 ( 10.660 -25.509 10.976) 29.746 11.830 ( 3.504 -6.245 -0.414) 7.173 12.110 ( 1.688 -3.145 1.876) 4.032 ======================= Grid point 224 (103/144) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.718 4.919 -1.989) 5.355 0.529 ( -2.807 4.733 1.626) 5.738 0.675 ( 2.403 0.961 1.453) 2.968 0.787 ( 0.197 9.687 -0.495) 9.701 0.855 ( -1.166 7.347 -5.070) 9.002 0.988 ( 0.371 1.940 -0.690) 2.092 1.233 ( -1.161 1.826 1.291) 2.520 1.297 ( -0.060 5.918 0.267) 5.925 1.361 ( -1.288 14.711 4.446) 15.422 1.422 ( 1.832 13.618 -0.948) 13.773 1.550 ( 0.710 5.178 1.039) 5.329 1.560 ( -0.233 8.627 -2.463) 8.974 1.582 ( -1.355 6.949 -0.873) 7.133 1.586 ( 1.423 2.120 -0.873) 2.698 1.854 ( -1.033 -0.431 2.888) 3.097 1.908 ( 1.473 -0.490 1.057) 1.878 2.010 ( -1.605 10.218 3.099) 10.797 2.123 ( 0.453 2.697 -2.812) 3.923 2.500 ( 0.234 2.236 -2.704) 3.517 2.705 ( -1.265 6.003 -0.290) 6.141 2.754 ( 0.839 10.071 -0.296) 10.110 2.889 ( -0.035 -1.607 0.201) 1.620 3.347 ( 0.670 -0.374 0.920) 1.198 3.827 ( -0.544 -3.775 0.942) 3.928 5.669 ( 1.823 -4.274 -0.563) 4.681 5.775 ( 1.436 0.054 -1.296) 1.935 5.947 ( -0.542 -17.801 -1.381) 17.862 6.121 ( 0.253 0.081 -0.441) 0.515 6.459 ( 0.235 -7.066 1.840) 7.306 6.866 ( -3.232 21.138 -15.257) 26.269 7.163 ( -4.690 6.558 3.351) 8.731 7.234 ( 4.253 8.794 -2.239) 10.022 7.852 ( -0.017 -7.168 5.320) 8.926 8.008 ( 2.229 -1.551 2.928) 3.994 8.188 ( -1.776 8.930 -1.303) 9.198 8.945 ( 0.023 2.273 -3.370) 4.065 9.762 ( -1.367 23.228 4.492) 23.698 9.915 ( 1.196 11.234 -4.554) 12.181 10.697 ( 2.182 -23.700 5.232) 24.368 10.776 ( -0.699 -9.421 0.241) 9.450 11.711 ( -0.259 -6.536 0.925) 6.606 12.053 ( -0.017 -3.554 1.863) 4.013 ======================= Grid point 225 (104/144) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 7.331 3.230 -1.670) 8.183 0.527 ( 1.695 5.850 2.432) 6.558 0.762 ( 4.921 1.377 0.396) 5.125 0.816 ( 2.177 8.057 -2.334) 8.667 0.871 ( 4.553 3.477 0.226) 5.733 0.993 ( 0.756 2.560 -0.698) 2.759 1.204 ( -3.473 3.864 2.571) 5.796 1.257 ( -1.849 7.494 -0.158) 7.721 1.381 ( -0.814 12.579 2.820) 12.917 1.448 ( 1.373 13.238 -1.305) 13.373 1.535 ( -1.508 7.753 -1.092) 7.973 1.555 ( 0.532 7.369 -2.552) 7.817 1.574 ( 1.046 3.733 1.373) 4.113 1.633 ( 2.910 3.628 -0.742) 4.710 1.840 ( -0.355 0.130 1.750) 1.791 1.951 ( 1.876 -0.629 -0.578) 2.062 2.027 ( 1.127 9.385 2.690) 9.827 2.141 ( 2.321 1.544 -0.841) 2.912 2.496 ( 0.317 2.661 -1.531) 3.086 2.694 ( -0.173 6.141 1.043) 6.232 2.808 ( 4.288 9.328 -0.518) 10.280 2.895 ( 0.456 -1.807 0.184) 1.872 3.340 ( -1.420 -1.108 -0.796) 1.969 3.838 ( 0.755 -3.474 1.184) 3.747 5.605 ( -3.520 0.975 -2.902) 4.665 5.880 ( 8.147 1.928 -3.250) 8.981 6.034 ( 5.534 -7.642 -1.113) 9.501 6.279 ( 15.952 -3.772 0.401) 16.397 6.531 ( 5.732 -6.092 -0.139) 8.366 6.772 ( -2.006 27.859 1.118) 27.953 7.096 ( -4.967 6.591 4.064) 9.199 7.309 ( 7.881 4.410 -2.460) 9.360 7.833 ( -4.096 -0.391 1.590) 4.411 8.047 ( 2.182 -2.427 -4.230) 5.342 8.174 ( 0.727 -3.347 4.662) 5.785 8.927 ( -0.356 1.217 -1.548) 2.001 9.727 ( -5.371 16.044 3.792) 17.339 9.877 ( -2.876 10.282 -3.173) 11.138 10.634 ( -9.114 -26.325 -2.597) 27.979 10.753 ( -2.125 -8.114 1.392) 8.502 11.698 ( -1.239 -5.227 0.466) 5.392 12.058 ( -0.486 -2.573 0.732) 2.719 ======================= Grid point 226 (105/144) ======================= q-point: ( 0.29 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 3.772 0.897 -1.966) 4.347 0.637 ( 7.342 7.824 1.507) 10.835 0.814 ( 0.248 2.455 0.530) 2.524 0.860 ( 2.568 3.547 -0.800) 4.452 0.950 ( 3.381 1.472 -1.360) 3.931 1.025 ( 2.480 2.964 1.577) 4.174 1.151 ( -3.070 7.048 2.848) 8.199 1.243 ( -0.134 5.550 0.127) 5.553 1.361 ( -2.348 11.652 1.956) 12.046 1.456 ( 0.214 12.747 -0.699) 12.768 1.479 ( -2.953 5.313 -2.255) 6.484 1.565 ( 1.893 6.235 -2.543) 6.995 1.600 ( 0.573 6.417 1.552) 6.627 1.672 ( 1.525 6.011 -0.585) 6.229 1.891 ( 4.166 0.964 1.337) 4.480 1.981 ( 2.130 -1.235 -1.032) 2.669 2.060 ( 0.641 8.183 1.400) 8.327 2.181 ( 1.380 -0.335 0.635) 1.556 2.482 ( -0.814 3.336 -1.114) 3.610 2.707 ( 0.607 6.242 1.483) 6.444 2.874 ( 2.363 9.040 -0.193) 9.346 2.906 ( 0.501 -2.972 0.517) 3.058 3.292 ( -2.387 -0.788 -1.820) 3.103 3.862 ( 0.728 -3.388 1.175) 3.659 5.544 ( 0.251 3.385 -3.736) 5.048 6.030 ( 8.397 12.910 -2.172) 15.554 6.104 ( 3.701 2.344 -1.305) 4.571 6.467 ( -2.974 10.493 0.177) 10.908 6.596 ( 1.113 10.381 -3.550) 11.027 6.758 ( -0.957 21.969 4.748) 22.496 7.126 ( 3.875 7.350 13.258) 15.647 7.590 ( 20.463 -13.661 -2.211) 24.703 7.751 ( -2.077 7.728 -1.565) 8.154 8.125 ( 11.610 -2.511 -3.942) 12.515 8.248 ( 2.931 -16.596 3.006) 17.119 8.916 ( -0.521 0.174 1.452) 1.552 9.605 ( -9.301 -0.550 2.268) 9.590 9.751 ( -9.751 3.390 0.820) 10.356 10.372 ( -12.449 -28.885 -10.491) 33.156 10.718 ( -2.450 -5.627 2.121) 6.493 11.684 ( -0.199 -3.231 -0.131) 3.240 12.041 ( -1.627 -1.513 0.157) 2.227 ======================= Grid point 227 (106/144) ======================= q-point: ( 0.43 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 2.144 1.618 -2.217) 3.483 0.768 ( 4.913 5.982 -0.344) 7.748 0.811 ( 0.191 1.203 -0.850) 1.485 0.859 ( -2.107 -1.054 1.006) 2.562 1.009 ( 3.497 7.297 -0.983) 8.152 1.052 ( -1.703 4.590 2.188) 5.362 1.149 ( 1.040 4.996 2.577) 5.717 1.239 ( -0.204 4.341 -0.807) 4.420 1.341 ( -1.063 11.034 3.113) 11.514 1.411 ( -2.429 4.528 -2.031) 5.525 1.447 ( -0.309 12.238 -1.391) 12.321 1.582 ( 0.668 5.658 -0.979) 5.781 1.619 ( 1.033 8.191 0.070) 8.256 1.680 ( -0.233 8.372 -0.264) 8.379 1.977 ( 2.861 0.763 0.942) 3.107 2.018 ( 2.085 -1.618 -1.002) 2.823 2.068 ( -0.685 6.566 2.187) 6.955 2.190 ( -0.513 -1.084 0.064) 1.200 2.460 ( -0.295 3.280 -1.202) 3.506 2.729 ( 0.567 6.594 1.138) 6.716 2.897 ( 0.481 9.375 -0.130) 9.388 2.918 ( 0.309 -3.956 0.650) 4.021 3.240 ( -1.597 0.409 -1.641) 2.326 3.878 ( 0.217 -3.501 0.935) 3.630 5.572 ( 3.764 2.416 -2.524) 5.136 6.135 ( 4.135 19.041 -2.043) 19.592 6.173 ( 2.739 14.356 -1.070) 14.655 6.295 ( -7.821 22.301 -0.511) 23.638 6.532 ( -4.832 21.085 0.386) 21.635 6.779 ( 0.772 10.540 -1.164) 10.632 7.327 ( 4.957 8.910 16.581) 19.465 7.646 ( -1.544 2.717 -2.530) 4.021 7.996 ( 14.508 -16.662 -2.386) 22.221 8.224 ( -2.746 -15.945 -5.585) 17.116 8.484 ( 18.661 7.005 2.638) 20.106 8.931 ( 1.205 3.301 1.361) 3.768 9.411 ( -11.103 -21.538 -3.107) 24.430 9.580 ( -8.845 -10.540 14.556) 20.030 10.087 ( -6.815 -30.392 -17.295) 35.627 10.697 ( -1.125 -2.833 2.282) 3.808 11.688 ( 0.747 -1.960 -0.676) 2.204 12.007 ( -1.756 -1.389 0.547) 2.305 ======================= Grid point 228 (107/144) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.284 1.264 -2.948) 3.220 0.751 ( -5.149 3.929 1.178) 6.584 0.823 ( 1.841 1.937 -2.211) 3.468 0.875 ( 2.137 0.835 -0.426) 2.334 0.978 ( -5.119 7.423 2.051) 9.247 1.077 ( 2.081 5.125 0.216) 5.536 1.196 ( 2.128 6.547 -0.074) 6.884 1.221 ( -0.804 1.746 -1.062) 2.196 1.355 ( -0.935 9.449 2.850) 9.913 1.376 ( 0.385 7.535 0.979) 7.608 1.438 ( 0.676 11.206 -1.452) 11.320 1.570 ( -1.399 5.902 -0.027) 6.066 1.636 ( 0.868 7.598 -1.264) 7.751 1.669 ( -0.925 8.964 0.814) 9.049 1.985 ( -2.174 -1.740 0.962) 2.947 2.002 ( -3.344 3.495 -0.462) 4.859 2.081 ( -0.015 3.601 1.349) 3.846 2.186 ( 0.452 -0.246 -0.014) 0.515 2.466 ( 1.789 3.419 -1.488) 4.135 2.738 ( -0.178 6.589 0.391) 6.603 2.894 ( -0.647 7.719 0.069) 7.746 2.928 ( 0.350 -2.917 -0.141) 2.941 3.222 ( 0.427 0.708 -0.105) 0.833 3.882 ( -0.324 -3.619 0.573) 3.679 5.577 ( -2.104 1.396 -2.853) 3.810 6.116 ( -4.023 19.185 -0.368) 19.606 6.188 ( 1.055 18.239 -2.178) 18.399 6.295 ( 5.382 18.177 -0.843) 18.975 6.515 ( 3.116 19.281 2.012) 19.634 6.784 ( 1.203 11.485 -1.516) 11.647 7.496 ( 3.614 7.331 10.861) 13.593 7.615 ( 0.341 5.330 -7.152) 8.927 7.967 ( -19.598 -19.119 1.019) 27.398 8.143 ( 1.545 -12.302 -1.434) 12.481 8.555 ( -13.714 7.102 -6.656) 16.816 9.013 ( 6.535 6.163 -5.491) 10.528 9.317 ( 4.838 -20.390 8.522) 22.622 9.685 ( 6.439 -15.221 17.244) 23.885 9.932 ( 3.401 -31.243 -16.160) 35.339 10.705 ( 0.585 -1.988 1.591) 2.613 11.694 ( 0.384 -2.362 -1.264) 2.706 11.995 ( -0.185 -1.812 1.705) 2.495 ======================= Grid point 229 (108/144) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -2.792 0.403 -2.992) 4.112 0.651 ( -5.321 7.130 0.409) 8.906 0.820 ( -6.379 6.766 2.731) 9.692 0.852 ( 0.828 3.358 -3.282) 4.768 0.947 ( 0.928 0.986 -0.925) 1.640 1.071 ( -2.789 2.077 -1.982) 4.002 1.201 ( 1.576 7.035 -1.746) 7.418 1.230 ( 0.152 4.633 1.401) 4.843 1.354 ( -0.214 11.951 2.404) 12.192 1.413 ( 0.597 9.669 2.322) 9.962 1.464 ( 2.986 7.077 -0.457) 7.695 1.544 ( -0.822 6.334 -0.003) 6.387 1.630 ( -0.472 5.871 -1.508) 6.080 1.654 ( -1.605 7.920 1.317) 8.188 1.910 ( -4.773 2.357 -0.835) 5.389 1.939 ( -3.318 -0.860 2.422) 4.197 2.071 ( -1.696 6.658 0.924) 6.932 2.187 ( -0.635 1.053 -0.435) 1.304 2.497 ( 2.333 3.869 -2.101) 4.983 2.732 ( -0.268 5.793 -0.562) 5.826 2.873 ( -1.933 7.975 -0.139) 8.207 2.919 ( -1.045 -3.466 -0.713) 3.690 3.252 ( 2.023 0.174 1.722) 2.662 3.871 ( -1.156 -3.684 0.359) 3.878 5.521 ( -0.493 1.434 -1.553) 2.170 6.020 ( -6.481 11.383 -0.866) 13.127 6.120 ( -3.883 4.828 -2.806) 6.802 6.451 ( 5.892 10.758 0.915) 12.301 6.550 ( -4.736 6.413 1.606) 8.132 6.837 ( 7.526 21.701 -3.118) 23.180 7.433 ( -16.712 -9.764 -6.544) 20.431 7.578 ( -3.366 -0.332 -5.309) 6.295 7.682 ( -0.318 11.400 2.318) 11.638 8.068 ( -13.026 -12.106 -2.247) 17.924 8.233 ( -5.657 -3.715 2.140) 7.098 9.025 ( 0.136 -0.597 -6.633) 6.661 9.552 ( 9.505 2.071 7.799) 12.468 9.837 ( 5.000 1.269 -3.910) 6.472 10.125 ( 16.138 -29.389 10.214) 35.050 10.735 ( 1.582 -3.870 0.733) 4.245 11.691 ( 0.344 -4.144 -1.011) 4.279 12.015 ( 0.492 -2.443 2.577) 3.585 ======================= Grid point 230 (109/144) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -6.039 3.281 -1.625) 7.062 0.576 ( -1.911 6.323 -2.214) 6.966 0.702 ( -6.888 6.423 4.759) 10.553 0.828 ( -1.717 4.287 -3.207) 5.622 0.933 ( -1.932 4.070 -4.543) 6.398 0.996 ( -1.750 1.736 -0.822) 2.598 1.235 ( 0.380 3.269 0.387) 3.314 1.248 ( 2.756 7.771 0.679) 8.273 1.370 ( -0.501 14.817 3.056) 15.137 1.413 ( -1.095 9.407 1.161) 9.542 1.517 ( 1.664 7.259 1.064) 7.523 1.554 ( 2.027 6.210 -1.545) 6.713 1.603 ( -1.120 2.129 -1.904) 3.068 1.621 ( -2.358 8.347 0.588) 8.693 1.845 ( -1.390 1.124 0.902) 2.003 1.907 ( -1.991 -0.195 3.201) 3.775 2.037 ( -2.586 9.344 1.833) 9.867 2.155 ( -1.541 2.074 -2.085) 3.320 2.514 ( 0.879 3.259 -2.869) 4.430 2.723 ( 0.060 5.017 -1.598) 5.266 2.803 ( -4.840 9.210 -0.025) 10.404 2.896 ( -0.792 -2.570 -0.041) 2.690 3.308 ( 2.137 -0.030 2.152) 3.033 3.845 ( -1.622 -3.734 0.531) 4.106 5.562 ( 4.821 -1.055 0.819) 5.002 5.872 ( -6.870 1.265 -2.252) 7.340 6.036 ( -4.190 -5.196 -1.261) 6.793 6.286 ( -16.490 -3.488 -0.157) 16.856 6.492 ( -3.427 -7.424 1.237) 8.270 6.979 ( 7.335 24.964 -12.243) 28.756 7.174 ( -4.620 -3.198 -0.207) 5.623 7.329 ( -9.648 12.396 -12.920) 20.339 7.780 ( 3.188 -0.171 6.282) 7.047 7.946 ( -0.182 -0.440 5.549) 5.569 8.216 ( -0.589 -1.487 0.205) 1.612 8.977 ( -0.447 0.607 -5.402) 5.454 9.717 ( 3.239 17.681 5.504) 18.799 9.895 ( 4.100 6.508 -5.232) 9.302 10.493 ( 12.935 -22.871 11.352) 28.623 10.767 ( 1.220 -7.121 0.377) 7.235 11.699 ( 0.753 -5.931 0.132) 5.981 12.038 ( 0.077 -3.330 2.675) 4.272 ======================= Grid point 231 (110/144) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.227 4.875 -0.508) 4.907 0.689 ( -2.742 6.083 0.818) 6.722 0.722 ( 1.934 8.162 -1.974) 8.617 0.936 ( 1.079 4.748 -1.706) 5.160 1.056 ( -2.448 9.319 0.237) 9.638 1.078 ( 1.818 8.729 -1.920) 9.121 1.227 ( -0.943 -0.450 0.591) 1.201 1.431 ( 1.911 5.009 1.274) 5.511 1.497 ( -1.744 -3.167 -0.093) 3.617 1.658 ( 0.583 10.615 0.523) 10.644 1.676 ( -0.205 11.590 3.777) 12.191 1.724 ( 1.878 7.212 0.332) 7.460 1.756 ( -0.089 9.177 -0.954) 9.227 1.777 ( -1.711 8.799 -0.998) 9.019 1.863 ( -1.063 1.343 0.317) 1.742 1.915 ( 0.270 1.690 0.704) 1.850 2.112 ( -1.239 3.442 2.064) 4.200 2.206 ( 0.909 2.394 -2.446) 3.541 2.522 ( 0.429 1.507 -2.558) 3.000 2.786 ( -0.224 -0.067 -0.728) 0.765 2.963 ( 0.494 5.960 0.599) 6.011 2.978 ( -0.337 11.266 -0.254) 11.274 3.439 ( 0.308 10.599 0.240) 10.606 3.788 ( -0.374 0.558 0.901) 1.124 5.573 ( 2.124 -5.459 2.210) 6.260 5.649 ( 0.604 -7.886 -2.995) 8.458 5.828 ( 0.121 3.771 -2.401) 4.472 5.997 ( 0.509 -6.540 -0.876) 6.618 6.478 ( 1.492 5.762 2.679) 6.527 6.994 ( 0.743 -6.156 4.690) 7.775 7.079 ( -2.884 -10.162 -2.571) 10.871 7.396 ( -0.795 -1.210 -1.492) 2.079 7.696 ( -2.173 9.140 -4.518) 10.425 8.251 ( 0.011 19.289 0.383) 19.292 8.594 ( 0.501 20.849 -0.231) 20.856 8.958 ( 0.665 -0.850 -4.517) 4.645 10.022 ( -1.696 3.909 7.440) 8.574 10.131 ( 1.299 5.320 -3.856) 6.698 10.306 ( 1.164 -12.663 1.517) 12.807 10.586 ( -0.903 -9.160 -0.403) 9.213 11.620 ( 0.042 -1.782 0.940) 2.015 12.010 ( 0.306 -0.611 2.096) 2.204 ======================= Grid point 232 (111/144) ======================= q-point: ( 0.14 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 4.258 3.561 -0.582) 5.581 0.708 ( 3.239 9.696 1.511) 10.334 0.809 ( 6.636 3.804 0.056) 7.649 0.934 ( 0.587 4.052 -2.123) 4.612 1.012 ( -2.790 8.599 1.448) 9.155 1.101 ( 1.807 8.385 -1.380) 8.688 1.233 ( 0.254 0.511 2.029) 2.108 1.367 ( -4.093 2.472 -1.033) 4.892 1.575 ( 4.896 0.382 1.041) 5.020 1.641 ( -1.780 10.350 -0.649) 10.522 1.696 ( -0.743 9.380 1.655) 9.554 1.698 ( -3.398 7.289 -1.260) 8.140 1.744 ( 1.515 10.734 -2.047) 11.031 1.793 ( 1.582 7.533 2.454) 8.080 1.866 ( 1.095 2.570 2.119) 3.506 1.942 ( 1.603 0.752 -0.222) 1.785 2.121 ( 0.211 2.527 2.895) 3.848 2.207 ( 0.671 2.501 -2.163) 3.374 2.509 ( -0.296 0.509 -2.017) 2.102 2.780 ( -0.153 -0.432 0.146) 0.481 2.956 ( -0.077 8.722 -0.078) 8.723 3.014 ( 2.496 6.920 -0.104) 7.357 3.425 ( -1.409 11.134 -0.384) 11.230 3.798 ( 0.559 0.167 0.920) 1.089 5.585 ( -0.975 -6.480 -4.183) 7.774 5.794 ( 14.648 -3.032 -1.574) 15.041 5.983 ( 14.370 2.409 -1.769) 14.677 6.080 ( 10.811 -10.135 -0.242) 14.820 6.601 ( 10.488 8.367 -2.206) 13.597 7.015 ( -1.145 -10.428 -1.538) 10.603 7.045 ( -0.038 -6.715 5.803) 8.875 7.415 ( 2.990 4.981 1.570) 6.018 7.700 ( 2.464 2.096 3.227) 4.569 8.184 ( -6.119 16.830 0.246) 17.909 8.471 ( -11.103 16.846 -1.367) 20.222 8.929 ( -1.532 0.313 -2.830) 3.233 9.956 ( -10.298 4.492 5.105) 12.340 10.059 ( -5.463 5.663 -3.251) 8.514 10.223 ( -9.672 -11.138 -1.631) 14.841 10.575 ( -0.610 -8.786 1.689) 8.968 11.619 ( -0.218 -2.057 0.009) 2.068 12.019 ( -0.361 -1.306 0.190) 1.368 ======================= Grid point 233 (112/144) ======================= q-point: ( 0.29 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 3.989 2.837 -1.569) 5.140 0.790 ( 3.266 6.987 1.774) 7.914 0.885 ( 0.301 4.106 0.593) 4.159 0.963 ( -3.007 5.898 1.245) 6.737 0.990 ( 6.182 3.399 -0.470) 7.071 1.138 ( 3.165 7.431 -1.090) 8.150 1.231 ( -2.795 1.919 3.006) 4.531 1.316 ( -0.345 1.906 -1.235) 2.297 1.591 ( -2.295 5.909 -1.525) 6.520 1.600 ( -2.683 9.069 -0.477) 9.470 1.676 ( 1.819 4.864 0.432) 5.211 1.690 ( -0.276 7.593 0.443) 7.611 1.767 ( 1.831 11.071 -1.286) 11.295 1.840 ( 1.802 7.885 1.587) 8.242 1.933 ( 3.798 3.311 3.026) 5.878 1.965 ( 1.122 0.909 -0.286) 1.471 2.138 ( -0.948 0.219 3.318) 3.457 2.202 ( 0.134 1.875 -1.890) 2.665 2.484 ( -0.932 -1.174 -2.078) 2.562 2.782 ( -0.034 -2.640 0.735) 2.741 2.963 ( 0.727 10.468 -0.110) 10.494 3.050 ( 1.332 4.057 -0.454) 4.294 3.395 ( -1.209 12.849 -0.718) 12.926 3.813 ( 0.352 -0.650 0.821) 1.105 5.534 ( 0.247 -5.138 -6.602) 8.369 6.022 ( 9.465 -5.325 -1.235) 10.930 6.227 ( 12.304 5.491 -0.891) 13.503 6.423 ( 19.221 -9.478 -0.623) 21.440 6.792 ( 8.545 10.200 -2.570) 13.552 6.959 ( -3.882 -16.996 -0.309) 17.436 7.141 ( 7.868 -4.728 4.714) 10.319 7.532 ( 6.640 7.190 4.032) 10.585 7.776 ( 0.206 -3.181 6.114) 6.895 8.057 ( -9.793 4.778 1.888) 11.059 8.318 ( 4.562 15.824 -3.768) 16.894 8.873 ( -1.926 -0.089 -0.806) 2.090 9.684 ( -20.137 4.611 1.562) 20.717 9.877 ( -17.033 9.456 1.234) 19.521 9.977 ( -8.140 -8.145 -7.185) 13.573 10.588 ( 0.128 -6.832 3.708) 7.775 11.622 ( 0.944 -2.559 -0.858) 2.859 11.994 ( -1.966 -3.097 -0.896) 3.777 ======================= Grid point 234 (113/144) ======================= q-point: ( 0.43 0.21 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 2.039 2.495 -2.210) 3.907 0.837 ( 0.353 2.198 1.926) 2.944 0.879 ( -0.307 4.552 -0.150) 4.565 0.929 ( -0.588 7.256 -0.011) 7.279 1.091 ( 3.471 2.590 1.146) 4.480 1.174 ( -2.655 3.623 1.918) 4.884 1.221 ( 4.097 4.460 -0.706) 6.097 1.299 ( -1.469 3.167 -1.141) 3.673 1.543 ( -1.507 6.582 -0.030) 6.752 1.567 ( -0.690 8.361 -0.610) 8.412 1.670 ( -0.798 8.364 0.127) 8.402 1.715 ( 0.464 6.365 0.889) 6.444 1.791 ( 1.142 9.122 -0.668) 9.217 1.867 ( 0.182 8.922 0.218) 8.926 1.983 ( 0.729 1.449 0.271) 1.645 2.027 ( 3.569 2.523 2.350) 4.962 2.124 ( -2.690 -1.109 3.618) 4.643 2.189 ( -0.018 1.009 -1.828) 2.088 2.456 ( -0.041 -1.955 -2.522) 3.191 2.787 ( 0.168 -4.830 0.661) 4.878 2.976 ( 0.486 12.129 -0.115) 12.139 3.061 ( 0.350 2.719 -0.619) 2.810 3.373 ( -0.670 14.238 -0.575) 14.265 3.821 ( -0.008 -1.227 0.705) 1.415 5.516 ( 1.430 -6.567 -5.475) 8.669 6.166 ( 6.008 -6.078 -0.860) 8.590 6.394 ( 5.423 4.865 -0.177) 7.287 6.628 ( 2.661 5.944 -1.492) 6.681 6.844 ( -1.188 10.125 0.433) 10.204 6.887 ( -1.655 -13.642 -0.593) 13.755 7.399 ( 12.294 -12.414 4.678) 18.087 7.634 ( -0.535 7.839 2.752) 8.325 7.777 ( -3.973 -10.256 0.786) 11.026 7.907 ( -0.588 -11.174 2.531) 11.472 8.628 ( 24.359 8.007 -3.292) 25.852 8.894 ( 1.991 1.159 1.967) 3.029 9.278 ( -17.904 8.363 -0.090) 19.761 9.468 ( -22.396 9.532 -0.558) 24.347 9.851 ( -2.414 -0.399 -4.650) 5.254 10.621 ( 0.514 -4.601 3.880) 6.041 11.638 ( 1.201 -2.827 -1.391) 3.372 11.946 ( -2.134 -4.537 -0.367) 5.027 ======================= Grid point 235 (114/144) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.367 2.279 -2.337) 3.285 0.834 ( -1.690 4.194 2.132) 4.999 0.886 ( 1.330 4.192 -0.906) 4.490 0.946 ( 2.631 5.940 -1.349) 6.636 1.092 ( -4.993 3.583 1.107) 6.244 1.158 ( 0.528 2.433 2.402) 3.459 1.245 ( -1.935 1.838 -2.044) 3.361 1.302 ( 3.742 5.840 -1.420) 7.080 1.533 ( -0.052 7.555 0.983) 7.619 1.560 ( 0.238 5.890 -0.246) 5.900 1.664 ( -0.070 8.869 1.073) 8.934 1.713 ( -1.129 8.513 1.019) 8.648 1.790 ( -0.947 7.359 -1.043) 7.492 1.859 ( -0.984 8.933 1.127) 9.057 1.984 ( -0.904 2.456 0.208) 2.625 2.048 ( -2.976 2.359 0.226) 3.804 2.119 ( 0.118 0.161 4.190) 4.195 2.189 ( 1.400 -0.104 -1.949) 2.402 2.461 ( 2.366 -2.096 -2.803) 4.225 2.795 ( 0.389 -5.382 -0.012) 5.396 2.975 ( -0.566 11.921 0.010) 11.935 3.059 ( -0.117 3.190 -0.541) 3.238 3.365 ( 0.067 14.658 0.130) 14.659 3.822 ( -0.343 -1.381 0.625) 1.554 5.493 ( -0.892 -7.705 -3.252) 8.410 6.191 ( -2.675 -6.502 -3.236) 7.740 6.397 ( -5.304 5.119 -0.260) 7.376 6.604 ( -3.902 8.262 0.182) 9.139 6.814 ( -1.907 5.184 2.861) 6.221 6.910 ( 4.370 -7.967 -1.610) 9.228 7.384 ( -16.924 -16.424 3.208) 23.801 7.701 ( 0.965 -4.088 0.545) 4.235 7.736 ( 6.653 -2.012 3.240) 7.669 7.991 ( 6.892 -3.719 -5.466) 9.550 8.605 ( -22.072 3.790 -3.073) 22.605 8.965 ( -1.625 -5.350 -2.044) 5.953 9.268 ( 15.221 10.478 1.046) 18.508 9.383 ( 17.760 12.438 6.361) 22.596 9.828 ( 2.725 2.795 -2.616) 4.699 10.646 ( -0.105 -3.994 1.772) 4.370 11.638 ( -0.305 -2.958 -1.500) 3.331 11.927 ( -0.057 -4.740 1.388) 4.940 ======================= Grid point 236 (115/144) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -2.706 2.709 -1.845) 4.250 0.805 ( -2.441 7.608 0.616) 8.014 0.908 ( 1.493 3.511 -1.699) 4.177 0.971 ( -8.024 4.618 1.026) 9.315 0.999 ( 3.706 5.671 -2.174) 7.114 1.138 ( -2.660 4.830 -0.546) 5.541 1.253 ( 2.754 0.982 1.554) 3.311 1.321 ( -0.596 3.321 -2.506) 4.203 1.557 ( 1.718 7.510 1.665) 7.881 1.576 ( 1.068 4.553 1.361) 4.870 1.674 ( -0.188 7.295 0.863) 7.349 1.695 ( -1.182 10.355 1.303) 10.504 1.747 ( -2.115 7.743 -0.814) 8.068 1.847 ( -1.345 8.853 1.252) 9.041 1.957 ( -1.914 3.218 0.042) 3.745 1.972 ( -4.009 3.837 -0.419) 5.565 2.141 ( -0.671 1.702 3.207) 3.693 2.204 ( 1.388 -0.580 -2.511) 2.928 2.497 ( 2.973 -1.555 -2.993) 4.496 2.800 ( 0.297 -4.037 -0.828) 4.131 2.959 ( -1.005 10.123 0.323) 10.178 3.047 ( -1.051 5.278 -0.301) 5.390 3.379 ( 1.080 13.700 0.769) 13.764 3.815 ( -0.816 -0.953 0.625) 1.402 5.466 ( 0.129 -6.387 -0.287) 6.395 6.048 ( -8.893 -4.928 -3.744) 10.834 6.232 ( -11.347 5.110 -1.209) 12.503 6.409 ( -16.697 -8.177 0.380) 18.595 6.748 ( -10.871 9.012 1.729) 14.226 6.956 ( -2.022 -17.481 -0.822) 17.617 7.129 ( -4.443 -8.086 6.674) 11.387 7.602 ( -8.181 -4.346 -0.940) 9.311 7.918 ( 9.549 8.974 -6.422) 14.593 8.135 ( 6.852 12.551 -10.116) 17.516 8.245 ( -6.280 8.971 3.220) 11.415 8.916 ( 2.111 -3.388 -2.715) 4.828 9.703 ( 22.649 2.836 -0.501) 22.832 9.749 ( 11.613 0.531 13.442) 17.772 9.931 ( 10.396 7.034 -2.979) 12.901 10.639 ( -0.893 -5.530 -0.679) 5.642 11.617 ( -0.776 -2.770 -0.664) 2.952 11.952 ( 0.837 -3.633 2.950) 4.754 ======================= Grid point 237 (116/144) ======================= q-point: (-0.14 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -3.545 3.904 -1.051) 5.377 0.747 ( -2.902 7.783 -1.564) 8.453 0.808 ( -8.333 5.683 -0.161) 10.088 0.923 ( 1.017 4.868 -1.359) 5.156 1.047 ( 2.448 6.026 -1.629) 6.705 1.097 ( -1.178 8.530 -1.129) 8.685 1.267 ( -2.943 0.766 -0.829) 3.152 1.336 ( 4.581 1.395 1.637) 5.061 1.574 ( -3.486 1.427 1.594) 4.090 1.613 ( 2.386 7.794 1.183) 8.237 1.672 ( 0.579 5.699 1.039) 5.821 1.684 ( -0.713 13.431 2.632) 13.705 1.743 ( 1.807 8.765 -1.264) 9.038 1.819 ( -1.974 8.928 -0.314) 9.149 1.897 ( -2.656 3.917 -0.726) 4.788 1.930 ( -1.782 2.865 0.886) 3.488 2.133 ( -1.958 2.753 2.454) 4.176 2.207 ( 0.894 0.854 -2.965) 3.212 2.523 ( 1.642 0.066 -3.018) 3.436 2.795 ( -0.033 -1.650 -1.175) 2.026 2.949 ( -0.150 8.031 0.642) 8.058 3.013 ( -2.190 8.570 -0.146) 8.847 3.413 ( 1.752 11.740 0.780) 11.896 3.800 ( -1.192 -0.025 0.742) 1.405 5.507 ( 2.823 -5.423 2.687) 6.678 5.810 ( -13.100 -4.097 -3.206) 14.095 5.990 ( -12.268 1.798 -2.165) 12.586 6.085 ( -11.803 -10.681 -0.613) 15.930 6.528 ( -9.229 7.247 4.012) 12.402 6.950 ( -0.050 -15.327 5.115) 16.158 7.140 ( -0.867 -5.714 -1.120) 5.887 7.461 ( -4.907 -3.881 -1.812) 6.513 7.836 ( -5.705 14.799 -13.744) 20.987 8.173 ( 6.485 18.701 1.352) 19.840 8.455 ( 12.567 14.548 0.340) 19.227 8.956 ( 3.058 -0.496 -4.566) 5.518 9.943 ( 3.918 3.752 9.359) 10.817 10.038 ( 11.272 1.736 -2.825) 11.749 10.163 ( 11.555 -4.518 2.847) 12.730 10.611 ( -1.039 -7.872 -1.449) 8.071 11.610 ( 0.097 -2.207 0.579) 2.283 11.986 ( 0.404 -1.758 3.342) 3.798 ======================= Grid point 238 (117/144) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -0.479 5.727 0.425) 5.762 0.797 ( 0.242 5.727 -0.413) 5.747 0.950 ( -0.181 11.458 -1.397) 11.545 1.026 ( 0.479 4.261 -1.685) 4.607 1.198 ( -0.661 5.782 0.367) 5.831 1.231 ( -0.463 0.990 0.073) 1.095 1.297 ( 0.376 9.112 -0.136) 9.121 1.431 ( 1.863 -1.483 0.780) 2.506 1.505 ( -1.528 1.564 0.711) 2.299 1.791 ( 2.110 3.527 0.284) 4.120 1.813 ( 1.332 2.848 3.248) 4.520 1.869 ( -0.533 2.794 -0.382) 2.870 1.884 ( -1.162 4.659 0.080) 4.802 1.900 ( -2.540 2.073 -2.013) 3.847 1.964 ( -2.233 10.182 1.031) 10.475 2.002 ( 0.632 5.821 -0.222) 5.860 2.207 ( -0.046 4.796 -0.526) 4.825 2.215 ( 1.438 -0.543 -0.800) 1.733 2.572 ( 0.191 3.116 -1.063) 3.297 2.763 ( 0.024 -1.620 -0.146) 1.627 3.007 ( 0.350 0.193 -0.059) 0.404 3.190 ( -0.455 7.030 -0.078) 7.045 3.731 ( 0.222 15.664 0.138) 15.667 3.874 ( -0.186 7.994 0.243) 8.000 5.493 ( 0.673 0.506 -1.104) 1.388 5.633 ( 1.052 5.340 0.343) 5.454 5.905 ( 0.792 3.350 -0.668) 3.506 6.017 ( 0.600 9.238 -0.770) 9.289 6.574 ( 0.719 0.705 3.202) 3.357 6.848 ( 3.756 1.867 2.276) 4.772 6.988 ( -5.125 -1.208 2.160) 5.691 7.350 ( 0.645 -0.343 0.150) 0.745 7.951 ( -3.650 9.902 -7.030) 12.680 8.612 ( -0.577 13.250 -0.117) 13.263 8.897 ( 4.010 -4.653 -4.322) 7.511 8.937 ( -1.808 10.997 -0.128) 11.145 9.921 ( -0.262 -9.539 3.613) 10.204 10.097 ( 0.450 -3.956 -0.375) 3.999 10.240 ( 0.337 -0.017 0.918) 0.978 10.413 ( -1.183 -7.412 -0.768) 7.545 11.637 ( 0.127 2.871 0.299) 2.889 12.009 ( 0.419 -0.144 1.974) 2.023 ======================= Grid point 239 (118/144) ======================= q-point: ( 0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 2.853 5.567 0.342) 6.265 0.858 ( 5.406 5.092 -0.067) 7.426 0.951 ( 0.426 8.721 -0.413) 8.741 1.027 ( 0.956 5.455 -0.745) 5.588 1.163 ( -2.965 5.558 0.832) 6.354 1.243 ( 0.867 1.592 0.512) 1.883 1.309 ( 1.076 9.137 -0.319) 9.205 1.385 ( -3.196 1.246 -1.107) 3.604 1.580 ( 5.565 -0.650 0.914) 5.677 1.764 ( -3.002 3.247 -2.873) 5.274 1.811 ( -2.568 3.906 -2.177) 5.157 1.866 ( -0.337 5.161 0.345) 5.184 1.885 ( 1.268 2.541 4.501) 5.322 1.902 ( 1.608 0.585 2.734) 3.225 1.947 ( -0.516 8.594 2.642) 9.006 2.027 ( 1.610 6.718 0.207) 6.911 2.194 ( -0.950 3.685 -0.979) 3.930 2.231 ( 1.176 0.782 -1.873) 2.346 2.545 ( -2.273 2.955 -0.928) 3.842 2.748 ( -1.493 -1.964 -0.146) 2.471 3.020 ( 1.269 0.047 -0.600) 1.405 3.185 ( -0.340 6.793 0.666) 6.834 3.729 ( -0.319 15.810 -0.277) 15.816 3.873 ( -0.231 7.451 0.377) 7.464 5.455 ( -2.540 -2.267 -2.076) 3.988 5.713 ( 7.886 -4.520 -1.770) 9.260 6.031 ( 9.535 5.178 -1.776) 10.994 6.123 ( 11.401 9.248 -1.465) 14.753 6.638 ( -5.212 -10.721 1.925) 12.075 6.790 ( 6.359 6.201 -3.937) 9.715 7.032 ( 0.656 0.073 5.401) 5.442 7.436 ( 7.444 0.665 -0.633) 7.500 7.866 ( -4.732 7.227 4.790) 9.878 8.430 ( -17.551 3.182 2.029) 17.953 8.737 ( -6.619 9.079 -5.444) 12.485 9.010 ( 2.026 8.589 -1.154) 8.900 9.863 ( -6.675 -7.887 1.026) 10.384 10.083 ( -2.954 -0.240 -0.226) 2.972 10.234 ( -1.791 3.744 -0.327) 4.163 10.407 ( 0.172 -7.176 2.081) 7.474 11.617 ( -1.910 1.560 -0.248) 2.479 11.993 ( -2.726 -1.606 -0.106) 3.165 ======================= Grid point 240 (119/144) ======================= q-point: ( 0.29 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 2.955 4.893 -0.600) 5.747 0.926 ( -0.172 5.834 0.496) 5.858 0.976 ( 3.170 4.189 0.128) 5.255 1.049 ( 0.015 5.506 0.802) 5.565 1.125 ( -0.330 5.509 1.110) 5.630 1.256 ( 0.170 2.927 0.499) 2.974 1.293 ( -1.851 5.106 -1.987) 5.783 1.378 ( 2.432 5.768 0.692) 6.298 1.664 ( 2.192 -1.609 -2.175) 3.482 1.685 ( -2.951 3.059 -2.377) 4.870 1.765 ( -0.292 4.454 0.047) 4.464 1.848 ( -1.392 5.946 0.381) 6.119 1.946 ( 2.058 2.414 4.558) 5.553 1.965 ( 0.886 7.068 1.855) 7.361 1.974 ( 2.259 1.097 4.381) 5.050 2.060 ( 1.610 6.536 0.516) 6.751 2.155 ( -2.562 1.912 -0.718) 3.277 2.234 ( 0.615 1.586 -2.838) 3.308 2.484 ( -3.016 1.709 -1.368) 3.727 2.711 ( -2.009 -3.272 -0.226) 3.846 3.048 ( 2.009 -0.028 -0.924) 2.212 3.185 ( -0.250 6.594 0.969) 6.670 3.720 ( -0.335 16.002 -0.460) 16.013 3.869 ( -0.397 6.581 0.359) 6.603 5.402 ( -0.355 -4.663 -4.908) 6.779 5.882 ( 10.056 -9.747 -0.652) 14.020 6.206 ( 10.793 -2.629 -1.267) 11.181 6.299 ( 2.282 -8.757 -2.286) 9.334 6.514 ( -1.186 -10.700 2.780) 11.118 6.944 ( -0.225 1.787 1.462) 2.320 7.107 ( 11.305 1.511 -1.812) 11.549 7.526 ( -0.140 -5.839 -0.936) 5.915 7.798 ( -7.610 -1.099 5.604) 9.515 8.088 ( -17.123 3.429 6.380) 18.591 8.673 ( 4.978 12.647 -7.570) 15.557 9.064 ( 7.007 18.355 0.623) 19.656 9.692 ( -11.349 -0.879 -0.756) 11.408 9.979 ( -6.602 4.155 -1.226) 7.896 10.130 ( -9.903 12.555 0.072) 15.990 10.446 ( 1.500 -6.779 4.464) 8.254 11.583 ( -0.906 -1.230 -0.766) 1.709 11.915 ( -4.499 -4.495 -1.385) 6.508 ======================= Grid point 241 (120/144) ======================= q-point: ( 0.43 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.241 4.340 -1.207) 4.673 0.919 ( -0.293 5.081 0.825) 5.155 1.001 ( -0.613 7.142 1.163) 7.262 1.046 ( 0.101 3.319 0.085) 3.322 1.157 ( 1.250 2.164 1.761) 3.057 1.237 ( -1.715 6.943 -0.015) 7.152 1.283 ( 1.696 1.903 -2.313) 3.442 1.430 ( 1.964 7.664 0.936) 7.967 1.627 ( -1.288 0.882 -1.667) 2.283 1.644 ( -1.497 0.564 -2.183) 2.706 1.785 ( 0.549 4.074 -0.533) 4.145 1.842 ( 0.280 5.225 3.514) 6.303 1.968 ( -0.858 6.565 -0.074) 6.621 2.017 ( 2.037 4.218 1.784) 5.013 2.042 ( 1.790 2.518 4.058) 5.100 2.093 ( -2.139 0.932 0.474) 2.380 2.099 ( 0.342 3.360 1.969) 3.909 2.218 ( -0.157 2.294 -3.111) 3.868 2.430 ( -0.894 0.174 -2.351) 2.521 2.679 ( -0.854 -4.710 -0.321) 4.797 3.071 ( 0.687 -0.012 -0.748) 1.016 3.190 ( 0.357 6.580 0.504) 6.609 3.711 ( -0.304 16.309 -0.298) 16.315 3.865 ( -0.254 5.931 0.296) 5.944 5.372 ( 0.298 -5.368 -5.485) 7.680 6.035 ( 4.625 -5.672 -0.738) 7.355 6.288 ( 1.597 -30.279 5.108) 30.748 6.411 ( 9.341 -6.160 0.165) 11.190 6.553 ( 0.392 -11.816 -1.965) 11.985 6.849 ( -7.455 -6.721 1.526) 10.153 7.326 ( 7.866 -11.133 1.182) 13.683 7.433 ( -2.600 -3.275 -2.191) 4.721 7.608 ( -12.017 -4.479 0.057) 12.824 7.952 ( -3.101 8.003 2.743) 9.010 8.833 ( 13.853 13.855 -3.190) 19.851 9.253 ( 2.455 22.032 -0.195) 22.170 9.493 ( -0.041 11.988 -0.290) 11.991 9.818 ( -13.284 17.035 -1.552) 21.657 9.919 ( -6.392 8.207 0.944) 10.445 10.506 ( 1.309 -6.606 4.424) 8.057 11.575 ( 0.511 -3.245 -1.236) 3.510 11.829 ( -3.057 -6.537 -0.851) 7.267 ======================= Grid point 242 (121/144) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.552 4.276 -1.077) 4.444 0.930 ( 0.995 4.734 -0.251) 4.844 1.005 ( -0.147 6.552 0.818) 6.605 1.049 ( 0.809 3.451 0.062) 3.545 1.162 ( -1.957 2.343 1.352) 3.339 1.227 ( 0.806 7.584 -0.103) 7.628 1.286 ( 0.008 2.192 -1.739) 2.798 1.452 ( -0.180 7.529 -1.034) 7.602 1.611 ( -0.018 -0.043 -0.191) 0.196 1.617 ( -0.070 0.521 0.403) 0.662 1.777 ( -0.721 4.475 0.141) 4.535 1.884 ( 0.717 5.671 1.883) 6.019 1.936 ( -1.315 5.346 -0.195) 5.509 2.021 ( -2.052 6.171 1.471) 6.667 2.060 ( -1.192 1.994 2.841) 3.670 2.088 ( -0.576 3.337 1.056) 3.547 2.136 ( 2.257 1.265 0.948) 2.755 2.192 ( -0.386 1.635 -2.940) 3.386 2.432 ( 2.720 -0.008 -2.421) 3.641 2.680 ( 1.134 -4.964 -0.373) 5.106 3.062 ( -1.287 0.410 0.102) 1.355 3.201 ( 0.728 6.325 -0.557) 6.391 3.706 ( -0.107 16.311 0.123) 16.312 3.865 ( 0.083 6.057 0.294) 6.064 5.341 ( -0.398 -5.077 -2.439) 5.647 6.049 ( -2.175 -6.059 -2.038) 6.753 6.371 ( -1.586 -16.724 1.087) 16.834 6.410 ( -6.265 -21.094 -3.837) 22.337 6.525 ( -1.013 -9.534 0.301) 9.593 6.807 ( 2.762 -8.314 6.417) 10.860 7.335 ( -16.012 4.183 -1.712) 16.638 7.404 ( 7.509 -17.730 1.620) 19.323 7.622 ( 15.152 -2.191 -1.356) 15.370 7.980 ( 5.534 2.533 1.172) 6.198 8.839 ( -12.875 16.613 -4.162) 21.426 9.244 ( 0.051 19.891 0.961) 19.915 9.498 ( -3.431 13.027 -0.925) 13.503 9.766 ( 9.968 16.636 2.926) 19.613 9.941 ( 8.394 9.969 -0.907) 13.064 10.536 ( -0.567 -6.752 1.816) 7.015 11.576 ( 0.404 -3.062 -1.391) 3.387 11.809 ( 1.046 -6.426 0.979) 6.584 ======================= Grid point 243 (122/144) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -2.216 4.732 -0.661) 5.267 0.935 ( -1.613 4.476 0.014) 4.758 0.980 ( -1.228 3.387 -0.802) 3.691 1.074 ( -0.259 6.811 -1.187) 6.918 1.134 ( 0.422 4.841 0.328) 4.870 1.246 ( 0.463 5.850 1.055) 5.963 1.289 ( 1.870 3.072 -1.117) 3.766 1.402 ( -3.437 5.047 -1.776) 6.359 1.617 ( -1.355 -1.252 2.055) 2.762 1.647 ( 2.837 2.724 1.532) 4.221 1.766 ( -0.381 4.261 0.093) 4.279 1.863 ( -0.988 4.867 -1.162) 5.101 1.948 ( -0.337 8.498 2.544) 8.877 1.992 ( -1.422 4.952 0.995) 5.248 2.039 ( -2.938 2.805 0.810) 4.141 2.061 ( -1.167 5.208 -1.681) 5.595 2.173 ( 0.298 -0.761 -0.247) 0.854 2.183 ( 1.826 1.981 -0.716) 2.788 2.489 ( 4.195 1.253 -1.722) 4.705 2.712 ( 2.199 -3.786 -0.315) 4.389 3.032 ( -1.807 0.625 0.502) 1.977 3.206 ( 0.307 6.307 -1.008) 6.395 3.709 ( 0.237 15.967 0.458) 15.975 3.870 ( 0.275 6.876 0.266) 6.887 5.348 ( 2.304 -2.601 0.191) 3.480 5.900 ( -11.116 -9.596 -2.695) 14.930 6.191 ( -9.789 -5.087 0.158) 11.033 6.290 ( -7.527 -5.982 -0.925) 9.659 6.566 ( 4.327 -10.153 -2.528) 11.322 6.949 ( -3.464 3.274 0.378) 4.781 7.003 ( -9.740 -0.686 8.658) 13.049 7.500 ( -2.224 -5.379 0.835) 5.880 7.888 ( 14.880 -6.965 -3.058) 16.712 8.239 ( 21.011 0.589 -4.813) 21.563 8.590 ( -8.094 16.060 -2.060) 18.102 9.088 ( -6.983 17.820 -1.072) 19.170 9.651 ( 9.658 0.090 3.256) 10.193 9.935 ( 7.367 6.783 2.481) 10.317 10.136 ( 8.842 11.560 -0.532) 14.564 10.509 ( -2.157 -6.936 -1.124) 7.350 11.581 ( 1.253 -0.737 -0.885) 1.702 11.870 ( 3.510 -4.287 2.783) 6.200 ======================= Grid point 244 (123/144) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -2.797 5.306 -0.171) 6.001 0.854 ( -5.194 4.390 0.178) 6.803 0.971 ( 0.022 7.275 -2.368) 7.651 1.034 ( -1.086 6.931 -1.152) 7.110 1.175 ( 2.526 5.274 -0.482) 5.867 1.254 ( -0.420 3.472 -0.118) 3.499 1.307 ( -1.509 4.068 -0.089) 4.340 1.362 ( 2.209 3.901 0.858) 4.564 1.574 ( -4.285 -1.249 1.517) 4.714 1.722 ( 3.667 3.188 1.647) 5.130 1.774 ( 1.064 4.209 0.995) 4.455 1.860 ( 0.466 3.576 0.734) 3.680 1.926 ( -2.166 6.846 -0.241) 7.184 1.966 ( -2.680 4.655 -2.054) 5.751 1.989 ( -0.553 6.057 -0.784) 6.133 2.023 ( -2.294 5.812 0.169) 6.251 2.190 ( 1.485 -1.590 -0.384) 2.209 2.204 ( 0.574 3.813 -0.028) 3.856 2.550 ( 2.896 2.545 -1.325) 4.077 2.748 ( 1.590 -2.347 -0.209) 2.843 3.009 ( -0.760 0.564 0.376) 1.018 3.201 ( -0.253 6.605 -0.767) 6.654 3.720 ( 0.559 15.770 0.457) 15.787 3.875 ( 0.018 7.720 0.190) 7.722 5.429 ( 5.221 0.547 0.560) 5.279 5.689 ( -7.915 -5.498 -0.228) 9.640 6.022 ( -8.607 4.339 -1.039) 9.694 6.107 ( -9.774 7.313 0.310) 12.211 6.643 ( -3.854 -3.952 1.723) 5.783 6.701 ( -0.700 3.692 3.870) 5.394 7.070 ( -1.152 -1.247 2.298) 2.857 7.404 ( -6.048 -0.629 1.674) 6.306 8.044 ( 3.401 2.679 -11.269) 12.071 8.505 ( 9.814 10.371 -5.588) 15.333 8.660 ( 14.983 4.874 2.164) 15.903 9.022 ( -1.512 7.750 -1.998) 8.144 9.829 ( 6.163 -7.911 4.762) 11.102 10.063 ( 3.984 1.771 1.263) 4.539 10.225 ( 1.290 2.806 0.431) 3.118 10.455 ( -2.081 -7.012 -2.078) 7.604 11.612 ( 1.967 1.997 -0.012) 2.803 11.956 ( 3.026 -1.405 3.290) 4.686 ======================= Grid point 245 (124/144) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.249 5.664 0.477) 5.690 0.901 ( 0.315 3.844 -0.440) 3.882 1.111 ( 0.900 4.085 -0.865) 4.272 1.153 ( -0.732 6.418 -0.902) 6.522 1.250 ( -0.245 -0.672 0.230) 0.752 1.277 ( -0.517 4.898 0.070) 4.926 1.396 ( 0.920 0.483 2.190) 2.424 1.476 ( -0.064 5.065 -0.886) 5.142 1.544 ( 0.244 3.188 -0.510) 3.238 1.805 ( 0.309 -2.177 1.337) 2.573 1.847 ( 1.102 0.864 -0.187) 1.413 1.873 ( -0.720 -1.087 2.098) 2.470 1.948 ( -1.746 2.998 -0.384) 3.491 1.983 ( -1.206 4.253 -3.067) 5.380 2.094 ( -1.562 4.175 1.370) 4.664 2.141 ( 1.248 2.825 0.148) 3.092 2.209 ( 1.028 3.610 -0.832) 3.845 2.280 ( 0.419 1.413 -0.541) 1.570 2.627 ( 0.066 1.461 0.030) 1.463 2.720 ( 0.146 -2.665 -0.187) 2.675 3.026 ( 0.151 2.340 -0.430) 2.384 3.257 ( -0.440 0.424 0.674) 0.909 4.034 ( 0.305 13.128 0.055) 13.132 4.082 ( -0.178 10.776 -0.377) 10.784 5.623 ( 0.269 11.472 -2.396) 11.722 5.862 ( -1.729 16.488 1.828) 16.679 6.003 ( 2.424 5.943 -0.457) 6.435 6.312 ( 1.275 17.906 0.257) 17.954 6.577 ( -1.159 2.344 1.391) 2.962 6.985 ( 2.092 1.445 2.788) 3.773 7.041 ( -2.607 9.913 -0.378) 10.257 7.366 ( 0.785 1.833 1.396) 2.434 8.063 ( -1.377 1.211 -3.204) 3.691 8.598 ( -3.050 -14.361 -4.104) 15.244 8.893 ( 3.470 4.682 -0.686) 5.867 9.050 ( 0.288 0.266 -0.279) 0.481 9.786 ( 1.539 -2.626 0.809) 3.150 10.021 ( -2.167 -2.983 -0.339) 3.702 10.218 ( 1.394 -1.814 2.634) 3.489 10.286 ( -1.512 -5.002 -0.275) 5.232 11.709 ( 0.070 3.637 -0.403) 3.660 11.987 ( 0.311 -2.153 1.381) 2.577 ======================= Grid point 246 (125/144) ======================= q-point: ( 0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 2.556 5.708 0.465) 6.271 0.945 ( 4.089 3.035 -0.541) 5.120 1.079 ( -1.986 4.216 -1.041) 4.775 1.176 ( 1.566 6.934 0.172) 7.111 1.209 ( -3.046 -0.504 0.423) 3.117 1.284 ( 0.900 3.778 0.815) 3.968 1.452 ( 2.373 4.129 -1.702) 5.057 1.469 ( 0.503 4.897 0.686) 4.970 1.558 ( 1.922 0.364 -0.625) 2.053 1.792 ( -2.258 -1.271 -1.020) 2.785 1.836 ( -0.744 -0.379 -0.986) 1.292 1.887 ( 0.582 -1.369 3.022) 3.369 1.940 ( -1.816 4.058 1.493) 4.690 1.966 ( 1.765 3.815 1.388) 4.427 2.077 ( -1.686 3.609 2.458) 4.681 2.161 ( 1.300 4.477 -0.798) 4.730 2.218 ( 0.524 1.695 -2.224) 2.845 2.278 ( 0.237 2.224 -1.070) 2.479 2.605 ( -2.366 1.956 -0.173) 3.074 2.702 ( -1.727 -2.532 -0.387) 3.089 3.037 ( 1.283 2.230 -0.383) 2.601 3.253 ( -0.572 0.642 1.015) 1.330 4.023 ( -1.097 12.331 -0.509) 12.390 4.074 ( -0.634 10.634 0.129) 10.654 5.540 ( -7.043 10.121 -0.033) 12.331 5.718 ( -5.185 5.417 -0.912) 7.554 6.136 ( 2.861 5.094 -0.716) 5.886 6.380 ( 4.468 14.962 -3.135) 15.926 6.554 ( -7.760 1.511 2.545) 8.305 6.923 ( 1.872 4.835 -0.917) 5.265 7.025 ( -2.999 -1.549 3.385) 4.780 7.443 ( 2.461 -1.394 -0.608) 2.893 7.948 ( -8.418 2.097 0.256) 8.679 8.356 ( -15.565 -7.179 3.484) 17.491 8.866 ( -0.437 4.168 -6.200) 7.484 9.202 ( 10.547 7.090 0.166) 12.710 9.758 ( -1.726 -1.461 -1.247) 2.583 10.063 ( 1.143 -1.591 2.232) 2.969 10.260 ( 2.732 -1.565 -0.483) 3.185 10.295 ( 2.029 -3.281 2.069) 4.378 11.666 ( -4.100 2.830 -0.293) 4.990 11.945 ( -4.968 -3.089 -0.134) 5.851 ======================= Grid point 247 (126/144) ======================= q-point: ( 0.29 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 2.375 5.706 0.034) 6.181 1.009 ( 1.391 2.255 -0.673) 2.734 1.057 ( 1.455 3.788 -0.672) 4.113 1.143 ( -3.019 0.221 0.725) 3.113 1.217 ( 1.472 7.076 0.912) 7.285 1.310 ( 0.840 2.801 1.043) 3.105 1.445 ( -0.154 9.029 -1.225) 9.113 1.508 ( 2.005 5.083 0.116) 5.465 1.595 ( 1.672 -3.685 -2.132) 4.574 1.734 ( -2.186 1.155 -1.835) 3.079 1.821 ( -0.296 0.665 -0.101) 0.735 1.895 ( -0.638 -0.380 0.959) 1.213 1.968 ( 1.463 -0.829 5.624) 5.870 2.006 ( 1.115 4.166 2.440) 4.955 2.063 ( -1.391 1.744 2.082) 3.052 2.178 ( 1.108 4.085 -1.754) 4.582 2.195 ( -1.434 2.169 -0.507) 2.649 2.283 ( 1.366 3.419 -2.697) 4.564 2.539 ( -4.024 2.747 -0.526) 4.901 2.656 ( -2.573 -2.266 -0.647) 3.489 3.065 ( 1.703 2.026 -0.322) 2.666 3.249 ( -0.622 0.541 1.167) 1.428 3.999 ( -0.623 10.847 -0.756) 10.891 4.057 ( -1.311 10.123 0.241) 10.211 5.410 ( -5.547 5.247 -0.555) 7.655 5.715 ( 5.333 -3.633 -0.265) 6.458 6.036 ( -15.512 -8.674 3.394) 18.093 6.265 ( -5.934 4.426 -4.265) 8.543 6.483 ( -1.940 0.467 0.320) 2.021 6.913 ( -6.387 -2.515 1.680) 7.068 7.042 ( -1.746 -10.532 -0.137) 10.677 7.391 ( -3.234 -7.015 2.832) 8.227 7.794 ( -5.879 4.576 -3.095) 8.067 8.188 ( -5.968 3.852 1.846) 7.339 8.891 ( 9.053 10.796 -4.188) 14.699 9.445 ( 15.036 14.691 0.551) 21.029 9.713 ( -2.804 3.531 -0.851) 4.589 10.047 ( -2.612 2.070 0.365) 3.352 10.308 ( 1.227 -2.349 2.291) 3.503 10.336 ( -0.794 2.708 1.150) 3.047 11.573 ( -4.729 0.278 -0.187) 4.741 11.816 ( -7.371 -4.926 -1.140) 8.938 ======================= Grid point 248 (127/144) ======================= q-point: ( 0.43 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.710 5.686 -0.292) 5.738 1.007 ( -0.101 3.003 -0.287) 3.018 1.085 ( -0.119 1.469 -0.565) 1.579 1.111 ( -0.221 1.396 0.870) 1.660 1.253 ( 1.486 9.003 1.855) 9.311 1.323 ( 0.248 2.344 -0.378) 2.387 1.438 ( -0.159 10.445 -0.370) 10.453 1.544 ( 1.000 1.077 0.084) 1.473 1.591 ( 0.730 -0.573 -1.476) 1.744 1.677 ( -2.595 2.152 -2.970) 4.493 1.838 ( 1.462 0.642 0.675) 1.734 1.892 ( -0.614 -0.413 1.953) 2.089 2.009 ( -1.064 -1.444 2.370) 2.972 2.044 ( -0.575 0.376 4.029) 4.087 2.061 ( 1.957 0.569 1.112) 2.322 2.162 ( -0.802 3.971 -0.152) 4.054 2.192 ( 0.443 4.428 -0.832) 4.528 2.288 ( 0.905 4.120 -2.832) 5.080 2.467 ( -2.308 2.818 -1.010) 3.781 2.611 ( -1.271 -2.103 -0.747) 2.568 3.088 ( 0.719 1.844 -0.170) 1.986 3.247 ( -0.218 0.127 0.899) 0.934 3.996 ( 0.555 10.696 -0.566) 10.725 4.031 ( -1.216 8.829 0.061) 8.913 5.340 ( -1.311 1.416 -1.973) 2.760 5.745 ( -9.005 -19.926 5.047) 22.441 5.918 ( 11.265 -6.807 1.661) 13.267 6.224 ( 0.771 -6.448 -3.476) 7.366 6.364 ( -9.278 -8.338 0.636) 12.490 6.701 ( -12.661 -7.849 -2.418) 15.092 7.005 ( 1.325 -10.228 5.600) 11.736 7.399 ( -1.392 -4.294 1.329) 4.706 7.723 ( 0.695 10.142 -4.461) 11.101 8.066 ( -4.887 3.102 -3.233) 6.630 9.152 ( 16.083 15.936 -0.117) 22.642 9.551 ( -7.433 8.387 -0.648) 11.225 9.782 ( 9.343 12.448 -0.151) 15.565 10.028 ( 4.320 9.928 -0.145) 10.828 10.218 ( -11.072 13.816 0.431) 17.711 10.353 ( 0.580 -8.029 3.389) 8.734 11.511 ( -1.334 -2.843 -0.435) 3.171 11.690 ( -4.218 -6.745 -0.797) 7.995 ======================= Grid point 249 (128/144) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.786 5.651 -0.080) 5.706 1.008 ( 0.269 2.537 -0.332) 2.573 1.067 ( -1.301 1.515 0.924) 2.200 1.122 ( 0.761 1.412 -0.019) 1.604 1.274 ( -0.749 8.773 0.045) 8.805 1.333 ( 1.895 3.004 -1.472) 3.845 1.430 ( -0.784 9.770 0.406) 9.810 1.541 ( -0.618 -1.058 0.028) 1.226 1.607 ( -2.292 2.251 -2.555) 4.105 1.631 ( 2.576 2.030 1.366) 3.553 1.842 ( -1.304 0.946 0.026) 1.611 1.915 ( 1.265 -1.559 0.606) 2.097 1.985 ( -1.168 0.300 2.560) 2.829 2.057 ( -0.817 -1.602 2.834) 3.357 2.089 ( -0.369 0.840 0.250) 0.951 2.176 ( 2.309 3.344 0.221) 4.069 2.186 ( -0.288 4.932 -1.611) 5.196 2.270 ( -1.254 4.729 -1.749) 5.196 2.465 ( 2.730 2.664 -0.824) 3.902 2.608 ( 1.492 -2.133 -0.548) 2.660 3.086 ( -0.874 2.084 0.054) 2.260 3.253 ( 0.308 -0.170 0.380) 0.518 3.990 ( -0.748 10.701 -0.041) 10.727 4.035 ( 1.551 8.929 -0.328) 9.069 5.321 ( 1.003 2.154 -0.062) 2.377 5.809 ( 12.689 -19.658 -0.921) 23.416 6.008 ( -12.696 -9.387 -6.771) 17.180 6.120 ( 4.478 -5.519 5.234) 8.827 6.377 ( 3.285 -7.371 -0.090) 8.070 6.618 ( 7.131 -9.474 5.997) 13.288 7.099 ( 2.770 -8.033 -1.729) 8.671 7.366 ( -0.277 -1.960 2.273) 3.014 7.735 ( 3.569 8.842 -5.332) 10.925 8.029 ( 2.690 1.570 0.798) 3.215 9.183 ( -13.941 16.000 -3.078) 21.444 9.529 ( 6.834 8.784 1.380) 11.214 9.787 ( -8.714 11.420 -0.642) 14.379 10.008 ( -5.403 11.455 1.626) 12.770 10.226 ( 10.537 13.213 -0.227) 16.901 10.371 ( -0.536 -8.956 1.741) 9.139 11.516 ( 2.341 -2.603 -0.968) 3.632 11.675 ( 2.806 -6.396 0.566) 7.008 ======================= Grid point 250 (129/144) ======================= q-point: (-0.29 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -2.272 5.619 0.232) 6.066 0.997 ( -2.297 1.962 0.586) 3.077 1.052 ( 0.215 3.375 -0.370) 3.402 1.151 ( 2.358 -0.186 0.207) 2.375 1.243 ( -1.606 6.877 -1.570) 7.234 1.340 ( -0.571 3.158 -1.775) 3.667 1.417 ( -1.202 7.564 1.531) 7.811 1.515 ( -1.714 4.901 -0.411) 5.208 1.572 ( -0.937 -1.029 -0.114) 1.397 1.695 ( 3.121 1.851 1.884) 4.088 1.817 ( -0.865 0.299 0.073) 0.918 1.909 ( -1.013 -0.221 -0.384) 1.106 2.026 ( 1.614 -0.106 3.224) 3.607 2.045 ( -0.958 -0.459 -0.774) 1.315 2.068 ( -0.832 1.513 -0.907) 1.951 2.161 ( -1.405 4.937 -1.112) 5.252 2.223 ( 1.875 2.111 -1.982) 3.450 2.235 ( -0.946 5.283 1.061) 5.471 2.535 ( 4.268 2.433 -0.161) 4.916 2.651 ( 2.882 -2.311 -0.262) 3.703 3.062 ( -1.483 2.477 -0.039) 2.887 3.260 ( 0.151 -0.098 0.210) 0.276 3.989 ( 0.776 11.114 0.115) 11.142 4.064 ( 1.459 10.101 -0.371) 10.213 5.404 ( 7.551 7.462 0.179) 10.618 5.735 ( -8.459 -3.524 -2.368) 9.465 6.116 ( 12.061 -7.460 -4.885) 14.999 6.202 ( 5.755 4.822 1.897) 7.743 6.476 ( 7.267 -2.715 1.650) 7.931 6.880 ( 10.726 -4.387 7.452) 13.778 7.030 ( -8.024 -4.310 -2.166) 9.362 7.403 ( 0.971 -3.536 1.577) 3.992 7.805 ( 8.176 0.775 -3.858) 9.074 8.206 ( 14.489 -2.731 0.502) 14.752 8.888 ( -11.044 13.664 -4.132) 18.048 9.449 ( -14.667 13.828 0.193) 20.158 9.696 ( 2.249 4.464 0.826) 5.066 10.028 ( 2.197 2.953 2.066) 4.221 10.322 ( -0.788 4.431 -0.278) 4.509 10.362 ( -0.851 -6.198 0.155) 6.258 11.583 ( 5.093 0.747 -1.240) 5.294 11.782 ( 6.748 -4.082 1.995) 8.135 ======================= Grid point 251 (130/144) ======================= q-point: (-0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -2.743 5.559 0.364) 6.210 0.937 ( -3.374 3.151 0.136) 4.619 1.076 ( 2.258 3.798 -0.755) 4.482 1.197 ( -2.071 6.590 -1.618) 7.094 1.209 ( 3.302 -0.830 0.250) 3.414 1.303 ( -1.769 3.702 -0.969) 4.216 1.402 ( -2.074 3.589 3.020) 5.128 1.486 ( -0.728 5.617 -0.876) 5.731 1.552 ( -0.888 0.844 -0.070) 1.228 1.768 ( 2.910 1.069 1.706) 3.538 1.815 ( 0.462 -0.009 0.715) 0.851 1.889 ( -1.253 -0.649 0.717) 1.583 2.002 ( -2.234 1.261 -2.338) 3.471 2.019 ( -0.437 3.118 -3.436) 4.661 2.102 ( 2.111 0.660 1.654) 2.762 2.124 ( -2.179 3.824 0.962) 4.505 2.206 ( -0.329 5.608 -0.875) 5.686 2.264 ( 1.434 1.584 -0.001) 2.137 2.602 ( 2.517 1.726 0.076) 3.053 2.699 ( 2.043 -2.563 -0.131) 3.280 3.036 ( -0.956 2.549 -0.304) 2.739 3.261 ( -0.215 0.142 0.365) 0.447 4.014 ( 1.421 12.473 0.210) 12.555 4.081 ( 0.636 10.687 -0.488) 10.717 5.566 ( 7.538 12.280 -2.563) 14.635 5.692 ( 5.916 6.294 1.651) 8.794 6.131 ( -4.489 5.852 -0.671) 7.406 6.322 ( -0.560 13.597 2.163) 13.779 6.612 ( 3.315 2.101 -2.635) 4.727 6.870 ( -2.144 8.037 4.006) 9.233 7.048 ( 3.221 -1.999 1.633) 4.128 7.400 ( -2.851 -0.913 2.750) 4.065 7.991 ( 11.000 -5.068 -3.407) 12.582 8.486 ( 15.330 -9.267 -8.569) 19.857 8.786 ( 2.005 7.303 1.273) 7.679 9.203 ( -11.210 7.011 0.064) 13.222 9.734 ( 1.388 -0.658 1.074) 1.874 10.072 ( 0.625 -0.709 1.438) 1.721 10.241 ( -6.110 -0.770 0.947) 6.231 10.327 ( -2.201 -5.638 -0.615) 6.084 11.670 ( 4.147 3.197 -0.830) 5.301 11.918 ( 5.253 -2.374 2.343) 6.223 ======================= Grid point 252 (131/144) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.145 5.214 0.267) 5.223 0.938 ( 0.138 -0.466 -0.242) 0.543 1.185 ( 0.865 2.485 -0.031) 2.631 1.205 ( -0.386 0.429 -0.219) 0.617 1.229 ( -0.324 0.350 -0.119) 0.492 1.354 ( 0.334 -2.910 1.365) 3.232 1.445 ( -0.473 8.647 0.158) 8.662 1.579 ( 0.165 4.079 -1.328) 4.293 1.613 ( 0.470 3.026 -0.749) 3.153 1.741 ( -0.357 -3.481 -0.029) 3.499 1.814 ( -1.662 -2.859 2.008) 3.869 1.848 ( 1.489 -2.391 -1.103) 3.025 2.012 ( 0.081 2.875 1.629) 3.306 2.066 ( -0.851 3.286 -1.682) 3.789 2.098 ( -0.994 -0.635 2.165) 2.466 2.212 ( 0.764 2.801 -0.556) 2.956 2.276 ( -0.173 0.176 -1.255) 1.279 2.314 ( 0.920 3.585 -1.004) 3.835 2.626 ( -0.043 -0.995 0.344) 1.054 2.657 ( 0.200 -3.135 -0.296) 3.155 3.102 ( -0.025 4.454 0.014) 4.454 3.239 ( -0.277 -1.813 0.893) 2.040 4.252 ( 0.281 7.681 -0.166) 7.688 4.269 ( -0.121 6.681 -0.477) 6.700 5.902 ( -0.548 13.590 -2.107) 13.764 6.111 ( -4.211 4.104 -0.366) 5.891 6.282 ( 3.197 22.194 0.743) 22.435 6.620 ( 0.955 8.942 0.015) 8.993 6.718 ( -1.001 10.384 0.562) 10.448 6.932 ( -1.019 -5.721 0.063) 5.811 7.217 ( 0.644 5.819 0.446) 5.871 7.410 ( 0.427 0.917 2.067) 2.301 8.028 ( 2.314 -3.049 1.559) 4.133 8.254 ( -2.234 -15.909 -4.228) 16.612 8.947 ( 3.984 0.683 -0.588) 4.084 9.006 ( -2.151 -3.044 -1.866) 4.168 9.800 ( 0.861 3.191 -0.240) 3.314 9.966 ( -1.733 -3.019 -0.491) 3.516 10.184 ( 1.075 -1.107 3.066) 3.433 10.209 ( -1.080 -2.458 0.987) 2.860 11.779 ( -0.014 3.273 -0.579) 3.324 11.925 ( 0.109 -3.603 0.546) 3.646 ======================= Grid point 253 (132/144) ======================= q-point: ( 0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.599 5.166 0.378) 5.795 0.969 ( 2.976 -0.844 -0.281) 3.106 1.147 ( -2.100 2.300 -0.685) 3.189 1.185 ( -2.613 -0.843 0.102) 2.747 1.260 ( 2.820 2.599 0.040) 3.835 1.392 ( 1.566 -0.336 0.183) 1.612 1.453 ( 1.843 4.836 0.581) 5.208 1.582 ( 0.830 3.728 -0.839) 3.910 1.623 ( 1.057 4.245 -0.987) 4.484 1.735 ( -0.820 -2.931 0.859) 3.163 1.808 ( -0.071 -3.130 1.146) 3.334 1.848 ( -0.318 -2.058 -0.168) 2.089 2.004 ( -1.827 2.143 -1.098) 3.022 2.061 ( 0.942 5.242 2.345) 5.819 2.080 ( -2.062 -1.795 1.652) 3.194 2.230 ( 0.169 -0.524 0.234) 0.598 2.257 ( 0.289 3.899 -2.041) 4.410 2.334 ( 1.724 2.820 -1.390) 3.585 2.613 ( -1.550 -0.750 0.175) 1.730 2.644 ( -1.243 -2.876 -0.484) 3.170 3.109 ( 0.675 4.194 0.076) 4.248 3.239 ( -0.352 -1.667 0.838) 1.899 4.228 ( -2.195 7.456 -0.479) 7.787 4.257 ( -1.155 6.321 -0.067) 6.426 5.812 ( -8.274 14.031 1.694) 16.376 5.893 ( -13.365 9.572 1.358) 16.495 6.272 ( -7.752 8.487 -0.369) 11.501 6.608 ( -10.420 1.594 2.556) 10.846 6.671 ( -2.136 10.822 -3.232) 11.495 6.925 ( -18.916 -6.087 0.338) 19.874 6.972 ( 1.368 -0.127 1.981) 2.411 7.333 ( -10.634 -9.313 0.156) 14.137 8.018 ( -1.795 5.241 -4.358) 7.048 8.228 ( 1.245 -4.628 1.248) 4.952 8.951 ( 5.162 5.075 -3.406) 8.000 9.231 ( 17.268 -4.104 0.224) 17.751 9.811 ( 2.055 5.778 -0.803) 6.185 10.023 ( 3.009 -2.463 2.086) 4.413 10.213 ( 0.756 -1.777 1.758) 2.612 10.242 ( 5.196 -2.577 -0.306) 5.808 11.726 ( -5.254 2.990 -0.165) 6.048 11.871 ( -5.851 -3.914 -0.034) 7.039 ======================= Grid point 254 (133/144) ======================= q-point: ( 0.29 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 2.389 5.203 0.369) 5.737 1.021 ( 1.930 -1.169 -0.204) 2.266 1.119 ( 0.144 2.132 -0.943) 2.336 1.138 ( -2.144 0.124 0.029) 2.147 1.309 ( 2.304 2.318 0.009) 3.268 1.409 ( 0.611 3.319 0.809) 3.470 1.502 ( 2.027 -0.089 -0.496) 2.088 1.598 ( 1.369 3.825 -0.597) 4.106 1.638 ( 0.745 6.320 -0.164) 6.366 1.721 ( -0.726 -1.608 0.542) 1.846 1.812 ( 0.583 -1.234 -1.030) 1.710 1.859 ( 0.332 -3.459 1.199) 3.676 1.964 ( -1.588 0.754 1.156) 2.104 2.044 ( -2.194 -2.335 0.186) 3.209 2.099 ( 0.891 4.298 2.173) 4.898 2.213 ( -1.257 -0.547 0.934) 1.659 2.271 ( 1.629 4.959 -1.701) 5.490 2.355 ( 1.485 2.735 -1.772) 3.581 2.571 ( -2.764 0.346 -0.100) 2.788 2.608 ( -1.983 -2.404 -0.584) 3.170 3.126 ( 0.910 3.479 0.159) 3.600 3.236 ( -0.561 -1.471 0.819) 1.775 4.178 ( -2.369 6.653 -0.543) 7.083 4.224 ( -2.203 5.326 -0.052) 5.764 5.570 ( -16.016 9.128 2.316) 18.579 5.766 ( -2.218 6.988 1.193) 7.428 5.938 ( -27.441 -1.783 2.188) 27.586 6.288 ( -14.586 -4.457 0.986) 15.284 6.488 ( -10.991 0.678 -1.640) 11.134 6.749 ( -11.807 -14.434 -0.071) 18.649 6.923 ( -2.748 4.204 0.579) 5.056 7.234 ( 0.923 -7.989 5.059) 9.501 7.958 ( -0.829 9.271 -5.778) 10.956 8.210 ( -3.532 -1.708 -4.230) 5.769 9.144 ( 15.960 13.411 -0.747) 20.859 9.561 ( 14.754 -2.602 0.042) 14.982 9.861 ( 3.162 8.727 -0.230) 9.285 10.071 ( 2.641 -0.124 1.645) 3.114 10.233 ( 0.376 -1.077 1.016) 1.527 10.373 ( 6.404 -1.437 -0.337) 6.572 11.593 ( -8.020 1.681 0.241) 8.198 11.719 ( -9.195 -4.338 -0.444) 10.177 ======================= Grid point 255 (134/144) ======================= q-point: ( 0.43 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.542 5.252 0.325) 5.290 1.033 ( -0.127 -0.488 0.091) 0.513 1.108 ( -0.932 1.303 -0.055) 1.603 1.133 ( 1.132 0.884 -0.911) 1.701 1.345 ( 1.390 1.454 -0.260) 2.028 1.430 ( 0.689 1.398 0.686) 1.703 1.514 ( -0.134 3.025 0.424) 3.058 1.618 ( 0.753 3.059 -0.495) 3.188 1.643 ( 0.074 6.302 0.001) 6.303 1.715 ( -0.018 1.711 -1.642) 2.372 1.825 ( 0.943 -1.605 0.170) 1.869 1.856 ( -0.567 -2.361 0.077) 2.429 1.964 ( -0.643 -2.239 2.900) 3.720 2.008 ( -1.178 -2.776 -0.197) 3.022 2.119 ( 0.272 3.887 1.504) 4.177 2.209 ( 0.083 0.379 0.734) 0.830 2.288 ( 1.008 4.893 -1.178) 5.133 2.365 ( 0.628 2.806 -1.782) 3.383 2.518 ( -2.053 1.766 -0.203) 2.715 2.574 ( -0.942 -1.883 -0.566) 2.180 3.140 ( 0.364 2.871 0.263) 2.906 3.230 ( -0.468 -1.354 0.783) 1.632 4.150 ( 0.221 4.974 -0.499) 5.004 4.178 ( -2.333 4.528 -0.246) 5.099 5.347 ( -6.054 -1.371 0.911) 6.273 5.461 ( -16.454 -8.782 1.859) 18.744 5.846 ( 6.475 1.901 2.196) 7.097 6.144 ( -3.859 -7.338 4.171) 9.281 6.233 ( -12.434 0.340 -2.111) 12.617 6.509 ( -8.334 -9.958 -4.017) 13.592 6.972 ( 3.796 5.537 5.895) 8.934 7.297 ( 0.933 -6.038 3.240) 6.916 7.908 ( -0.147 7.489 -6.119) 9.673 8.087 ( -4.052 -0.960 -5.761) 7.108 9.456 ( 14.149 13.005 0.435) 19.223 9.673 ( -2.175 3.530 -0.481) 4.174 9.932 ( 2.435 3.835 -0.078) 4.543 10.154 ( 2.107 -6.131 2.412) 6.917 10.284 ( 6.971 8.289 -0.483) 10.841 10.413 ( -2.881 4.991 0.012) 5.763 11.468 ( -4.014 -1.008 0.228) 4.145 11.562 ( -5.483 -5.372 -0.344) 7.684 ======================= Grid point 256 (135/144) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.947 5.363 0.473) 5.467 1.030 ( -0.366 -0.318 0.393) 0.624 1.103 ( 0.169 1.763 0.245) 1.788 1.136 ( -0.094 0.347 -0.927) 0.994 1.351 ( -0.498 1.133 -0.840) 1.496 1.431 ( -0.931 -1.383 0.490) 1.737 1.515 ( -0.622 6.374 0.701) 6.443 1.621 ( 0.119 2.486 -0.884) 2.641 1.650 ( 0.990 5.583 -0.278) 5.677 1.698 ( -0.615 3.609 -0.656) 3.719 1.818 ( -1.827 -2.582 0.616) 3.223 1.868 ( 1.565 -2.605 -0.779) 3.137 1.965 ( -0.860 -1.821 3.459) 4.002 1.999 ( -0.152 -3.321 0.160) 3.328 2.134 ( 0.566 3.426 0.188) 3.478 2.220 ( 0.886 0.409 -0.188) 0.994 2.288 ( -0.201 4.849 -1.293) 5.022 2.354 ( -0.659 3.082 -0.970) 3.297 2.515 ( 1.796 1.828 0.103) 2.565 2.572 ( 1.146 -1.802 -0.449) 2.183 3.140 ( -0.559 2.863 0.289) 2.931 3.231 ( -0.004 -1.525 0.717) 1.685 4.148 ( -0.088 5.134 -0.306) 5.144 4.179 ( 2.619 4.335 -0.354) 5.077 5.347 ( 5.849 -0.518 0.869) 5.936 5.480 ( 17.448 -11.196 0.234) 20.732 5.895 ( -4.751 0.793 -1.718) 5.113 6.149 ( 4.126 3.012 1.068) 5.219 6.204 ( 9.855 -7.632 2.359) 12.686 6.445 ( 3.688 -7.626 2.334) 8.786 7.061 ( 0.956 3.909 -0.870) 4.117 7.311 ( 0.720 -3.754 0.650) 3.877 7.889 ( 1.705 5.924 -4.815) 7.822 8.034 ( 1.694 -1.111 -0.795) 2.176 9.478 ( -12.982 12.243 -1.628) 17.919 9.662 ( 2.419 4.155 0.616) 4.848 9.923 ( -3.431 3.622 0.681) 5.035 10.168 ( -1.699 -7.987 1.249) 8.260 10.268 ( -8.450 9.757 0.906) 12.939 10.415 ( 2.537 4.727 -0.165) 5.367 11.476 ( 4.823 -1.070 -0.469) 4.963 11.556 ( 4.879 -4.912 0.239) 6.927 ======================= Grid point 257 (136/144) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -2.523 5.403 0.476) 5.982 1.015 ( -1.934 -0.508 0.397) 2.038 1.109 ( 0.518 2.013 0.065) 2.080 1.142 ( 1.624 -0.303 -0.276) 1.675 1.319 ( -2.000 1.505 -1.030) 2.707 1.409 ( -1.801 -1.162 1.059) 2.391 1.492 ( -1.953 5.750 0.361) 6.084 1.606 ( -0.591 3.330 -1.428) 3.671 1.653 ( -0.939 6.772 -1.399) 6.979 1.714 ( 2.343 -0.021 1.068) 2.575 1.790 ( -1.259 -2.411 1.041) 2.912 1.872 ( -0.493 -2.966 -0.994) 3.167 1.993 ( 0.620 -2.638 2.369) 3.599 2.001 ( 0.985 -1.969 1.301) 2.557 2.135 ( -0.161 3.940 -1.377) 4.177 2.237 ( 0.947 -0.391 -0.641) 1.209 2.267 ( -0.674 4.984 -1.598) 5.277 2.335 ( -0.941 3.397 -0.073) 3.526 2.566 ( 2.710 0.457 0.402) 2.777 2.605 ( 2.233 -2.306 -0.305) 3.225 3.126 ( -0.973 3.399 0.137) 3.539 3.236 ( -0.078 -1.807 0.828) 1.989 4.174 ( 2.617 6.912 -0.206) 7.393 4.228 ( 2.511 5.151 -0.406) 5.745 5.584 ( 16.513 8.837 0.909) 18.751 5.818 ( 0.493 10.715 -3.237) 11.204 5.978 ( 29.619 -6.561 -1.918) 30.398 6.290 ( 12.101 0.472 0.592) 12.125 6.437 ( 10.597 -0.021 3.217) 11.075 6.694 ( 16.588 -13.501 5.234) 22.019 6.991 ( -3.521 4.140 -5.348) 7.625 7.308 ( -2.207 -6.363 -1.354) 6.869 7.905 ( 2.231 7.102 -1.575) 7.609 8.141 ( 7.632 -3.737 2.042) 8.740 9.166 ( -15.669 13.326 -2.754) 20.752 9.561 ( -14.295 -2.234 0.043) 14.468 9.848 ( -2.869 8.520 1.056) 9.052 10.084 ( -4.096 1.673 0.306) 4.435 10.220 ( -0.586 -3.803 2.237) 4.451 10.367 ( -6.891 -1.630 0.151) 7.083 11.607 ( 8.207 1.551 -1.073) 8.421 11.706 ( 8.980 -3.320 0.862) 9.613 ======================= Grid point 258 (137/144) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.795 5.245 0.291) 5.950 0.966 ( -2.652 -0.518 -0.026) 2.702 1.138 ( 2.404 2.211 0.086) 3.267 1.185 ( 2.562 -0.923 0.140) 2.727 1.267 ( -2.721 1.831 -0.731) 3.360 1.376 ( -2.700 -2.371 1.903) 4.066 1.459 ( -1.200 7.844 -0.148) 7.937 1.590 ( -0.146 3.399 -1.540) 3.735 1.622 ( -1.044 4.861 -0.784) 5.033 1.748 ( 0.020 -2.385 0.149) 2.390 1.802 ( 2.183 -1.552 0.645) 2.755 1.846 ( -1.704 -3.276 0.142) 3.695 2.002 ( 0.580 -0.174 -0.251) 0.655 2.054 ( 1.388 -1.825 3.680) 4.336 2.113 ( -0.656 4.225 -2.430) 4.918 2.224 ( -1.444 3.027 -0.160) 3.358 2.269 ( 1.581 1.037 -1.938) 2.707 2.319 ( -0.708 3.432 -0.061) 3.505 2.610 ( 1.510 -0.652 0.434) 1.701 2.641 ( 1.577 -2.875 -0.215) 3.286 3.109 ( -0.719 4.080 0.020) 4.143 3.238 ( -0.239 -1.901 0.917) 2.124 4.225 ( 2.419 7.724 -0.160) 8.096 4.262 ( 1.330 6.141 -0.533) 6.306 5.862 ( 5.120 13.931 -3.101) 15.163 5.919 ( 17.246 13.881 -0.570) 22.146 6.267 ( 4.160 7.575 -0.150) 8.644 6.615 ( 5.036 11.440 2.152) 12.683 6.656 ( 10.479 1.480 -2.256) 10.821 6.926 ( 15.769 -4.166 0.441) 16.316 6.988 ( -0.686 -1.321 0.920) 1.750 7.315 ( 6.831 -8.104 1.530) 10.709 7.954 ( 3.169 3.025 1.447) 4.614 8.267 ( 4.151 -10.251 -2.514) 11.341 8.936 ( -5.407 7.649 -2.086) 9.596 9.239 ( -16.750 -3.558 -0.466) 17.130 9.804 ( -2.063 6.618 -0.061) 6.933 10.046 ( -1.968 -2.069 0.116) 2.858 10.209 ( -7.652 -2.193 1.754) 8.151 10.221 ( -0.985 -4.132 1.887) 4.648 11.734 ( 5.224 2.982 -0.969) 6.093 11.861 ( 5.956 -3.130 0.944) 6.794 ======================= Grid point 259 (138/144) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.061 -3.877 0.018) 3.878 0.889 ( -0.061 3.877 0.018) 3.878 1.203 ( 0.134 -0.339 -0.045) 0.367 1.203 ( 0.134 0.339 -0.045) 0.367 1.284 ( 0.170 -3.556 0.540) 3.601 1.284 ( 0.170 3.556 0.540) 3.601 1.592 ( -0.198 -4.153 -0.550) 4.194 1.592 ( -0.198 4.153 -0.550) 4.194 1.673 ( -0.464 -3.008 -0.434) 3.074 1.673 ( -0.464 3.008 -0.434) 3.074 1.789 ( 0.362 -1.673 0.098) 1.715 1.789 ( 0.362 1.673 0.098) 1.715 2.058 ( 0.133 -1.604 2.390) 2.882 2.058 ( 0.133 1.604 2.390) 2.882 2.168 ( -0.834 -4.389 -1.057) 4.591 2.168 ( -0.834 4.389 -1.057) 4.591 2.331 ( 0.769 -2.145 -1.422) 2.686 2.331 ( 0.769 2.145 -1.422) 2.686 2.615 ( 0.034 -0.512 0.113) 0.525 2.615 ( 0.034 0.512 0.113) 0.525 3.186 ( -0.144 -3.418 0.608) 3.475 3.186 ( -0.144 3.418 0.608) 3.475 4.337 ( 0.085 -0.398 -0.371) 0.551 4.337 ( 0.085 0.398 -0.371) 0.551 6.107 ( -1.923 -5.230 -1.361) 5.736 6.107 ( -1.923 5.230 -1.361) 5.736 6.695 ( 0.537 -14.366 0.393) 14.381 6.695 ( 0.537 14.366 0.393) 14.381 6.784 ( -0.637 -7.888 -0.618) 7.938 6.784 ( -0.637 7.888 -0.618) 7.938 7.346 ( 0.397 -6.833 1.584) 7.025 7.346 ( 0.397 6.833 1.584) 7.025 8.031 ( 1.545 -5.041 -0.157) 5.275 8.031 ( 1.545 5.041 -0.157) 5.275 8.959 ( 0.109 -1.246 -1.866) 2.246 8.959 ( 0.109 1.246 -1.866) 2.246 9.886 ( -0.303 -4.512 -0.479) 4.547 9.886 ( -0.303 4.512 -0.479) 4.547 10.179 ( -0.069 -0.595 2.386) 2.460 10.179 ( -0.069 0.595 2.386) 2.460 11.849 ( -0.022 -3.590 -0.205) 3.596 11.849 ( -0.022 3.590 -0.205) 3.596 ======================= Grid point 261 (139/144) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.589 -3.884 0.157) 4.670 0.917 ( 2.589 3.884 0.157) 4.670 1.174 ( -2.008 -0.601 -0.300) 2.118 1.174 ( -2.008 0.601 -0.300) 2.118 1.323 ( 2.730 -3.685 -0.095) 4.587 1.323 ( 2.730 3.685 -0.095) 4.587 1.586 ( -0.145 -4.370 0.174) 4.376 1.586 ( -0.145 4.370 0.174) 4.376 1.684 ( 1.543 -2.677 0.536) 3.136 1.684 ( 1.543 2.677 0.536) 3.136 1.789 ( -0.171 -2.755 -0.411) 2.790 1.789 ( -0.171 2.755 -0.411) 2.790 2.044 ( -2.250 -1.766 0.267) 2.873 2.044 ( -2.250 1.766 0.267) 2.873 2.163 ( 0.058 -4.532 1.257) 4.703 2.163 ( 0.058 4.532 1.257) 4.703 2.342 ( 1.453 -2.476 -1.781) 3.378 2.342 ( 1.453 2.476 -1.781) 3.378 2.604 ( -1.169 -0.609 -0.025) 1.319 2.604 ( -1.169 0.609 -0.025) 1.319 3.189 ( 0.021 -3.269 0.498) 3.307 3.189 ( 0.021 3.269 0.498) 3.307 4.316 ( -1.985 -0.756 -0.295) 2.145 4.316 ( -1.985 0.756 -0.295) 2.145 5.998 ( -9.227 -1.864 2.773) 9.814 5.998 ( -9.227 1.864 2.773) 9.814 6.496 ( -18.508 -12.058 0.196) 22.090 6.496 ( -18.508 12.058 0.196) 22.090 6.794 ( -7.530 -4.657 0.661) 8.878 6.794 ( -7.530 4.658 0.661) 8.878 7.107 ( -12.179 -11.092 -0.690) 16.487 7.107 ( -12.179 11.092 -0.690) 16.487 8.135 ( 5.038 -5.235 -3.079) 7.891 8.135 ( 5.038 5.235 -3.079) 7.891 9.090 ( 13.860 -7.999 -0.562) 16.012 9.090 ( 13.860 7.999 -0.562) 16.012 9.941 ( 4.705 -5.740 0.654) 7.451 9.941 ( 4.705 5.740 0.654) 7.451 10.203 ( 2.097 -0.860 0.687) 2.368 10.203 ( 2.097 0.860 0.687) 2.368 11.792 ( -5.773 -3.560 -0.025) 6.782 11.792 ( -5.773 3.560 -0.025) 6.782 ======================= Grid point 263 (140/144) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 2.189 -3.684 0.383) 4.302 0.969 ( 2.189 3.684 0.383) 4.302 1.142 ( -0.780 -0.173 -0.690) 1.056 1.142 ( -0.780 0.173 -0.690) 1.056 1.365 ( 1.688 -3.434 -0.348) 3.843 1.365 ( 1.688 3.434 -0.348) 3.843 1.592 ( 0.421 -4.149 0.758) 4.238 1.592 ( 0.421 4.149 0.758) 4.238 1.728 ( 2.396 -1.795 0.303) 3.009 1.728 ( 2.396 1.795 0.303) 3.009 1.784 ( -0.048 -2.404 -0.118) 2.408 1.784 ( -0.048 2.404 -0.118) 2.408 1.995 ( -2.382 -2.122 -0.665) 3.258 1.995 ( -2.382 2.122 -0.665) 3.258 2.175 ( -0.057 -2.939 1.965) 3.536 2.175 ( -0.057 2.939 1.965) 3.536 2.360 ( 1.541 -2.663 -1.774) 3.552 2.360 ( 1.541 2.663 -1.774) 3.552 2.573 ( -1.888 -0.583 -0.121) 1.980 2.573 ( -1.888 0.583 -0.121) 1.980 3.192 ( 0.022 -2.771 0.455) 2.808 3.192 ( 0.022 2.771 0.455) 2.808 4.264 ( -3.014 -1.374 -0.291) 3.325 4.264 ( -3.014 1.374 -0.291) 3.325 5.754 ( -21.991 -7.732 2.177) 23.412 5.754 ( -21.991 7.732 2.177) 23.412 6.083 ( -16.993 -13.248 3.154) 21.777 6.083 ( -16.993 13.248 3.154) 21.777 6.540 ( -13.112 -5.451 -1.796) 14.313 6.540 ( -13.112 5.451 -1.796) 14.313 7.066 ( 1.828 -8.289 2.925) 8.978 7.066 ( 1.828 8.289 2.925) 8.978 8.125 ( -1.998 -6.436 -6.030) 9.043 8.125 ( -1.998 6.436 -6.030) 9.043 9.407 ( 17.337 -11.185 0.020) 20.632 9.407 ( 17.337 11.185 0.020) 20.632 10.007 ( 1.032 -5.493 1.042) 5.685 10.007 ( 1.033 5.493 1.042) 5.685 10.295 ( 7.341 -5.161 -0.320) 8.979 10.295 ( 7.341 5.161 -0.320) 8.979 11.642 ( -9.481 -3.090 0.146) 9.973 11.642 ( -9.481 3.090 0.146) 9.973 ======================= Grid point 265 (141/144) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.295 -3.153 0.569) 3.217 0.994 ( 0.295 3.153 0.569) 3.217 1.135 ( 0.238 -0.828 -0.854) 1.213 1.135 ( 0.238 0.828 -0.854) 1.213 1.382 ( 0.374 -2.597 -0.202) 2.632 1.382 ( 0.374 2.597 -0.202) 2.632 1.607 ( 0.541 -3.053 0.708) 3.180 1.607 ( 0.541 3.053 0.708) 3.180 1.761 ( 0.510 -3.397 0.177) 3.440 1.761 ( 0.510 3.397 0.177) 3.440 1.788 ( 0.759 -3.462 -0.697) 3.612 1.788 ( 0.759 3.462 -0.697) 3.612 1.956 ( -1.346 -1.694 0.230) 2.176 1.956 ( -1.346 1.694 0.230) 2.176 2.186 ( 0.171 -2.313 1.290) 2.654 2.186 ( 0.171 2.313 1.290) 2.654 2.373 ( 0.885 -2.470 -1.603) 3.075 2.373 ( 0.885 2.470 -1.603) 3.075 2.541 ( -1.120 -0.957 -0.061) 1.474 2.541 ( -1.120 0.957 -0.061) 1.474 3.194 ( -0.152 -2.213 0.517) 2.278 3.194 ( -0.152 2.213 0.517) 2.278 4.212 ( -1.750 -0.937 -0.384) 2.022 4.212 ( -1.750 0.937 -0.384) 2.022 5.347 ( -14.167 -2.498 0.514) 14.394 5.347 ( -14.167 2.498 0.514) 14.394 5.964 ( -2.074 -8.235 4.935) 9.822 5.964 ( -2.074 8.235 4.935) 9.822 6.328 ( -6.906 -7.251 -2.674) 10.365 6.328 ( -6.906 7.251 -2.674) 10.365 7.141 ( 2.836 -8.972 4.537) 10.447 7.141 ( 2.836 8.972 4.537) 10.447 8.031 ( -2.427 -4.449 -6.701) 8.402 8.031 ( -2.427 4.449 -6.701) 8.402 9.657 ( 7.360 -5.745 -0.033) 9.337 9.657 ( 7.360 5.745 -0.033) 9.337 10.016 ( -0.166 -5.518 0.781) 5.576 10.016 ( -0.166 5.518 0.781) 5.576 10.426 ( 4.848 -3.631 -0.222) 6.061 10.426 ( 4.848 3.631 -0.222) 6.061 11.480 ( -5.859 -2.367 0.178) 6.322 11.480 ( -5.859 2.367 0.178) 6.322 ======================= Grid point 267 (142/144) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.622 -3.142 0.549) 3.250 0.995 ( -0.622 3.142 0.549) 3.250 1.132 ( -0.034 -0.868 -0.611) 1.062 1.132 ( -0.034 0.868 -0.611) 1.062 1.378 ( -0.773 -2.053 0.161) 2.200 1.378 ( -0.773 2.053 0.161) 2.200 1.618 ( 0.245 -2.192 -0.151) 2.210 1.618 ( 0.245 2.192 -0.151) 2.210 1.749 ( -1.704 -3.985 0.999) 4.447 1.749 ( -1.704 3.985 0.999) 4.447 1.798 ( 0.726 -4.706 -1.600) 5.023 1.798 ( 0.726 4.706 -1.600) 5.023 1.947 ( -0.183 -0.937 1.366) 1.667 1.947 ( -0.183 0.937 1.366) 1.667 2.198 ( 0.526 -2.319 0.165) 2.383 2.198 ( 0.526 2.319 0.165) 2.383 2.369 ( -0.350 -2.146 -1.228) 2.497 2.369 ( -0.350 2.146 -1.228) 2.497 2.539 ( 1.008 -1.040 0.034) 1.449 2.539 ( 1.008 1.040 0.034) 1.449 3.193 ( -0.321 -2.207 0.599) 2.309 3.193 ( -0.321 2.207 0.599) 2.309 4.211 ( 1.950 -0.968 -0.306) 2.198 4.211 ( 1.950 0.968 -0.306) 2.198 5.348 ( 13.997 -2.188 0.421) 14.173 5.348 ( 13.997 2.188 0.421) 14.173 6.002 ( 3.084 -8.158 1.752) 8.896 6.002 ( 3.084 8.158 1.752) 8.896 6.290 ( 4.452 -7.230 0.650) 8.516 6.290 ( 4.452 7.230 0.650) 8.516 7.196 ( 0.578 -7.245 -0.270) 7.273 7.196 ( 0.578 7.245 -0.270) 7.273 7.985 ( 1.596 -3.580 -2.946) 4.904 7.985 ( 1.596 3.580 -2.946) 4.904 9.662 ( -6.704 -4.883 -0.488) 8.308 9.662 ( -6.704 4.883 -0.488) 8.308 10.010 ( -1.086 -5.995 1.344) 6.239 10.010 ( -1.086 5.995 1.344) 6.239 10.422 ( -5.178 -3.951 0.107) 6.515 10.422 ( -5.178 3.951 0.107) 6.515 11.483 ( 6.061 -1.968 -0.067) 6.373 11.483 ( 6.061 1.968 -0.067) 6.373 ======================= Grid point 269 (143/144) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -2.329 -3.629 0.222) 4.318 0.971 ( -2.329 3.629 0.222) 4.318 1.135 ( 0.926 -0.620 -0.048) 1.115 1.135 ( 0.926 0.620 -0.048) 1.115 1.355 ( -1.955 -2.406 0.562) 3.151 1.355 ( -1.955 2.406 0.562) 3.151 1.613 ( -0.253 -3.512 -1.102) 3.689 1.613 ( -0.253 3.512 -1.102) 3.689 1.726 ( -1.208 -2.302 0.707) 2.695 1.726 ( -1.208 2.302 0.707) 2.695 1.788 ( -0.724 -5.130 -0.986) 5.274 1.788 ( -0.724 5.130 -0.986) 5.274 1.970 ( 1.385 -0.655 2.087) 2.589 1.970 ( 1.385 0.655 2.087) 2.589 2.205 ( 0.365 -2.604 -0.938) 2.792 2.205 ( 0.365 2.604 -0.938) 2.792 2.350 ( -0.795 -2.189 -0.859) 2.482 2.350 ( -0.795 2.189 -0.859) 2.482 2.570 ( 1.847 -0.661 0.120) 1.965 2.570 ( 1.847 0.661 0.120) 1.965 3.190 ( -0.450 -2.693 0.671) 2.811 3.190 ( -0.450 2.693 0.671) 2.811 4.264 ( 3.338 -1.550 -0.333) 3.696 4.264 ( 3.338 1.550 -0.333) 3.696 5.776 ( 24.573 -9.676 0.091) 26.409 5.776 ( 24.573 9.676 0.091) 26.409 6.137 ( 13.617 -14.361 -1.360) 19.837 6.137 ( 13.617 14.361 -1.360) 19.837 6.485 ( 14.009 -5.275 2.999) 15.267 6.485 ( 14.009 5.275 2.999) 15.267 7.146 ( -3.782 -8.931 -4.075) 10.520 7.146 ( -3.782 8.931 -4.075) 10.520 8.044 ( 3.927 -5.874 1.050) 7.144 8.044 ( 3.927 5.874 1.050) 7.144 9.419 ( -16.723 -10.518 -1.057) 19.784 9.419 ( -16.723 10.518 -1.057) 19.784 10.004 ( -0.847 -6.828 1.383) 7.018 10.004 ( -0.847 6.828 1.383) 7.018 10.281 ( -8.400 -5.907 0.854) 10.305 10.281 ( -8.400 5.907 0.854) 10.305 11.647 ( 9.515 -2.366 -0.274) 9.809 11.647 ( 9.515 2.366 -0.274) 9.809 ======================= Grid point 271 (144/144) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.710 -3.807 -0.003) 4.673 0.918 ( -2.710 3.808 -0.003) 4.673 1.168 ( 2.312 -0.924 0.192) 2.497 1.168 ( 2.312 0.924 0.192) 2.497 1.314 ( -2.685 -2.858 0.754) 3.993 1.314 ( -2.685 2.858 0.754) 3.993 1.600 ( -0.200 -3.683 -1.040) 3.832 1.600 ( -0.200 3.683 -1.040) 3.832 1.701 ( -1.532 -2.168 -0.932) 2.814 1.701 ( -1.532 2.168 -0.932) 2.814 1.779 ( 0.219 -1.772 0.415) 1.833 1.779 ( 0.219 1.772 0.415) 1.833 2.019 ( 1.848 -1.572 2.560) 3.527 2.019 ( 1.848 1.572 2.560) 3.527 2.195 ( -0.637 -3.391 -1.533) 3.776 2.195 ( -0.637 3.391 -1.533) 3.776 2.333 ( -0.221 -2.211 -0.946) 2.415 2.333 ( -0.221 2.211 -0.946) 2.415 2.601 ( 1.209 -0.557 0.174) 1.342 2.601 ( 1.209 0.557 0.174) 1.342 3.186 ( -0.352 -3.191 0.684) 3.282 3.186 ( -0.352 3.191 0.684) 3.282 4.317 ( 2.193 -0.979 -0.408) 2.436 4.317 ( 2.193 0.979 -0.408) 2.436 6.062 ( 8.338 -3.128 -2.966) 9.387 6.062 ( 8.338 3.128 -2.966) 9.387 6.490 ( 17.018 -13.409 0.762) 21.679 6.490 ( 17.018 13.409 0.762) 21.679 6.807 ( 10.738 -5.485 -0.428) 12.065 6.807 ( 10.738 5.485 -0.428) 12.065 7.097 ( 8.094 -10.965 0.160) 13.630 7.097 ( 8.094 10.965 0.160) 13.630 8.082 ( -2.133 -8.012 1.595) 8.443 8.082 ( -2.133 8.012 1.595) 8.443 9.104 ( -13.241 -8.266 -1.839) 15.718 9.104 ( -13.241 8.266 -1.839) 15.718 9.954 ( -4.841 -6.820 -0.544) 8.381 9.954 ( -4.841 6.820 -0.544) 8.381 10.179 ( -2.716 -0.617 2.814) 3.960 10.179 ( -2.716 0.617 2.814) 3.960 11.796 ( 5.746 -3.099 -0.307) 6.536 11.796 ( 5.746 3.099 -0.307) 6.536 =================== 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 3/20580 10.0 10.732 12.276 3.135 0.000 -1.115 0.000 3/20580 20.0 3.630 6.857 1.198 0.000 -0.430 0.000 3/20580 30.0 2.178 5.118 0.786 0.000 -0.258 0.000 3/20580 40.0 1.590 4.150 0.599 0.000 -0.184 0.000 3/20580 50.0 1.275 3.503 0.488 0.000 -0.143 0.000 3/20580 60.0 1.077 3.026 0.414 0.000 -0.117 0.000 3/20580 70.0 0.939 2.657 0.360 0.000 -0.098 0.000 3/20580 80.0 0.837 2.365 0.320 0.000 -0.084 0.000 3/20580 90.0 0.757 2.129 0.289 0.000 -0.074 0.000 3/20580 100.0 0.692 1.935 0.264 0.000 -0.065 0.000 3/20580 110.0 0.639 1.774 0.244 0.000 -0.059 0.000 3/20580 120.0 0.594 1.639 0.227 0.000 -0.053 0.000 3/20580 130.0 0.555 1.522 0.212 0.000 -0.048 0.000 3/20580 140.0 0.521 1.422 0.199 0.000 -0.045 0.000 3/20580 150.0 0.491 1.334 0.188 0.000 -0.041 0.000 3/20580 160.0 0.464 1.256 0.178 0.000 -0.038 0.000 3/20580 170.0 0.440 1.187 0.169 0.000 -0.036 0.000 3/20580 180.0 0.418 1.126 0.161 0.000 -0.034 0.000 3/20580 190.0 0.399 1.070 0.153 0.000 -0.032 0.000 3/20580 200.0 0.381 1.020 0.147 0.000 -0.030 0.000 3/20580 210.0 0.365 0.974 0.140 0.000 -0.028 0.000 3/20580 220.0 0.350 0.932 0.135 0.000 -0.027 0.000 3/20580 230.0 0.336 0.893 0.129 0.000 -0.026 0.000 3/20580 240.0 0.323 0.858 0.125 0.000 -0.024 0.000 3/20580 250.0 0.311 0.825 0.120 0.000 -0.023 0.000 3/20580 260.0 0.300 0.795 0.116 0.000 -0.022 0.000 3/20580 270.0 0.289 0.766 0.112 0.000 -0.022 0.000 3/20580 280.0 0.280 0.740 0.108 0.000 -0.021 0.000 3/20580 290.0 0.271 0.716 0.105 0.000 -0.020 0.000 3/20580 300.0 0.262 0.693 0.102 0.000 -0.019 0.000 3/20580 310.0 0.254 0.671 0.098 0.000 -0.019 0.000 3/20580 320.0 0.247 0.651 0.096 0.000 -0.018 0.000 3/20580 330.0 0.240 0.632 0.093 0.000 -0.017 0.000 3/20580 340.0 0.233 0.614 0.090 0.000 -0.017 0.000 3/20580 350.0 0.227 0.596 0.088 0.000 -0.016 0.000 3/20580 360.0 0.221 0.580 0.086 0.000 -0.016 0.000 3/20580 370.0 0.215 0.565 0.083 0.000 -0.015 0.000 3/20580 380.0 0.209 0.551 0.081 0.000 -0.015 0.000 3/20580 390.0 0.204 0.537 0.079 0.000 -0.015 0.000 3/20580 400.0 0.199 0.524 0.077 0.000 -0.014 0.000 3/20580 410.0 0.195 0.511 0.076 0.000 -0.014 0.000 3/20580 420.0 0.190 0.499 0.074 0.000 -0.014 0.000 3/20580 430.0 0.186 0.488 0.072 0.000 -0.013 0.000 3/20580 440.0 0.182 0.477 0.071 0.000 -0.013 0.000 3/20580 450.0 0.178 0.467 0.069 0.000 -0.013 0.000 3/20580 460.0 0.174 0.457 0.068 0.000 -0.012 0.000 3/20580 470.0 0.170 0.447 0.066 0.000 -0.012 0.000 3/20580 480.0 0.167 0.438 0.065 0.000 -0.012 0.000 3/20580 490.0 0.164 0.429 0.064 0.000 -0.012 0.000 3/20580 500.0 0.160 0.421 0.062 0.000 -0.011 0.000 3/20580 510.0 0.157 0.412 0.061 0.000 -0.011 0.000 3/20580 520.0 0.154 0.405 0.060 0.000 -0.011 0.000 3/20580 530.0 0.152 0.397 0.059 0.000 -0.011 0.000 3/20580 540.0 0.149 0.390 0.058 0.000 -0.010 0.000 3/20580 550.0 0.146 0.383 0.057 0.000 -0.010 0.000 3/20580 560.0 0.144 0.376 0.056 0.000 -0.010 0.000 3/20580 570.0 0.141 0.370 0.055 0.000 -0.010 0.000 3/20580 580.0 0.139 0.363 0.054 0.000 -0.010 0.000 3/20580 590.0 0.136 0.357 0.053 0.000 -0.010 0.000 3/20580 600.0 0.134 0.351 0.052 0.000 -0.009 0.000 3/20580 610.0 0.132 0.346 0.051 0.000 -0.009 0.000 3/20580 620.0 0.130 0.340 0.051 0.000 -0.009 0.000 3/20580 630.0 0.128 0.335 0.050 0.000 -0.009 0.000 3/20580 640.0 0.126 0.330 0.049 0.000 -0.009 0.000 3/20580 650.0 0.124 0.325 0.048 0.000 -0.009 0.000 3/20580 660.0 0.122 0.320 0.048 0.000 -0.009 0.000 3/20580 670.0 0.120 0.315 0.047 0.000 -0.008 0.000 3/20580 680.0 0.119 0.310 0.046 0.000 -0.008 0.000 3/20580 690.0 0.117 0.306 0.046 0.000 -0.008 0.000 3/20580 700.0 0.115 0.302 0.045 0.000 -0.008 0.000 3/20580 710.0 0.114 0.297 0.044 0.000 -0.008 0.000 3/20580 720.0 0.112 0.293 0.044 0.000 -0.008 0.000 3/20580 730.0 0.111 0.289 0.043 0.000 -0.008 0.000 3/20580 740.0 0.109 0.285 0.043 0.000 -0.008 0.000 3/20580 750.0 0.108 0.282 0.042 0.000 -0.007 0.000 3/20580 760.0 0.106 0.278 0.041 0.000 -0.007 0.000 3/20580 770.0 0.105 0.274 0.041 0.000 -0.007 0.000 3/20580 780.0 0.104 0.271 0.040 0.000 -0.007 0.000 3/20580 790.0 0.102 0.267 0.040 0.000 -0.007 0.000 3/20580 800.0 0.101 0.264 0.039 0.000 -0.007 0.000 3/20580 810.0 0.100 0.261 0.039 0.000 -0.007 0.000 3/20580 820.0 0.099 0.258 0.038 0.000 -0.007 0.000 3/20580 830.0 0.097 0.255 0.038 0.000 -0.007 0.000 3/20580 840.0 0.096 0.252 0.038 0.000 -0.007 0.000 3/20580 850.0 0.095 0.249 0.037 0.000 -0.007 0.000 3/20580 860.0 0.094 0.246 0.037 0.000 -0.007 0.000 3/20580 870.0 0.093 0.243 0.036 0.000 -0.006 0.000 3/20580 880.0 0.092 0.240 0.036 0.000 -0.006 0.000 3/20580 890.0 0.091 0.238 0.035 0.000 -0.006 0.000 3/20580 900.0 0.090 0.235 0.035 0.000 -0.006 0.000 3/20580 910.0 0.089 0.232 0.035 0.000 -0.006 0.000 3/20580 920.0 0.088 0.230 0.034 0.000 -0.006 0.000 3/20580 930.0 0.087 0.227 0.034 0.000 -0.006 0.000 3/20580 940.0 0.086 0.225 0.034 0.000 -0.006 0.000 3/20580 950.0 0.085 0.223 0.033 0.000 -0.006 0.000 3/20580 960.0 0.084 0.220 0.033 0.000 -0.006 0.000 3/20580 970.0 0.083 0.218 0.033 0.000 -0.006 0.000 3/20580 980.0 0.083 0.216 0.032 0.000 -0.006 0.000 3/20580 990.0 0.082 0.214 0.032 0.000 -0.006 0.000 3/20580 1000.0 0.081 0.212 0.032 0.000 -0.006 0.000 3/20580 Thermal conductivity related properties were written into "kappa-m7145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:31:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|